data_1c5a_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 1c5a _Structure_validation_residue.Date_analyzed 2016-10-06 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 ' 6' ' ' ILE . . . . . . . . . . . . . 76.7 mt . . . . . 0 N--CA 1.48 1.071 0 CA-C-O 118.769 -0.634 . . . . 0.43 110.088 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.32 -49.65 73.71 Favored 'General case' 0 C--O 1.219 -0.504 0 CA-C-O 116.412 -1.756 . . . . 1.25 111.966 176.292 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -62.65 -29.19 70.44 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 123.844 3.02 . . . . 1.33 115.066 177.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 -82.58 -57.79 3.19 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 121.299 1.863 . . . . 0.91 112.804 168.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.4 3.53 3.69 Favored 'General case' 0 CA--C 1.556 1.205 0 N-CA-C 117.926 2.565 . . . . 0.0 117.926 173.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.72 -50.63 14.77 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 117.859 -3.026 . . . . 0.0 113.035 157.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.7 pttm -82.61 63.82 6.94 Favored 'General case' 0 CA--C 1.549 0.933 0 CA-C-O 123.642 1.687 . . . . 1.08 112.313 -174.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -52.97 -12.84 0.36 Allowed 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 116.956 2.206 . . . . 1.49 116.956 179.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -61.73 -32.74 72.98 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.105 0.962 . . . . 1.55 112.635 162.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 -88.72 67.14 8.29 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-O 125.147 2.403 . . . . 0.92 110.895 174.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.76 -45.47 85.87 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 108.925 -3.762 . . . . 0.0 114.978 -169.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 63.7 mtp -65.69 -39.24 91.05 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.543 0.737 . . . . 1.02 112.889 177.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -73.89 -45.48 50.56 Favored 'General case' 0 C--O 1.239 0.501 0 C-N-CA 124.372 1.069 . . . . 0.39 113.532 -178.16 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.25 -30.39 71.27 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-O 118.179 -0.915 . . . . 1.06 112.93 166.025 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.4 tmtm? -69.61 -30.09 67.76 Favored 'General case' 0 CA--C 1.548 0.891 0 CA-C-N 122.438 2.381 . . . . 0.9 111.337 168.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 96.5 m -56.4 -42.24 77.64 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 122.963 2.62 . . . . 0.42 113.452 163.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -48.87 -53.75 18.19 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 122.939 0.496 . . . . 0.06 111.501 163.401 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.294 5.3 m-30 -71.71 -28.27 63.58 Favored 'General case' 0 CA--C 1.549 0.924 0 N-CA-C 113.776 1.028 . . . . 0.12 113.776 -175.466 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -57.6 -38.27 74.62 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.618 1.167 . . . . 0.72 113.41 162.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -68.16 -39.44 88.39 Favored Glycine 0 CA--C 1.536 1.393 0 N-CA-C 114.649 0.62 . . . . 0.0 114.649 165.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.17 -27.41 65.5 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 115.927 1.825 . . . . 0.0 115.927 179.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -68.41 60.66 0.09 Allowed 'General case' 0 CA--C 1.562 1.405 0 CA-C-N 123.421 2.828 . . . . 1.75 112.088 171.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.1 tpt180 -77.36 76.73 3.9 Favored 'General case' 0 CA--C 1.546 0.819 0 O-C-N 119.092 -2.255 . . . . 1.73 112.587 -178.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 31.7 m120 -114.35 -7.33 12.92 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 112.857 -1.974 . . . . 1.27 112.929 169.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -73.73 -36.29 65.16 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 113.896 1.073 . . . . 1.12 113.896 175.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 62.32 -25.1 0.05 Allowed 'General case' 0 CA--C 1.549 0.937 0 N-CA-C 117.211 2.301 . . . . 1.21 117.211 179.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.62 -148.58 0.01 OUTLIER 'General case' 0 CA--C 1.562 1.441 0 N-CA-C 115.722 1.749 . . . . 1.46 115.722 166.779 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 69.3 m -97.0 96.72 8.69 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 117.945 -2.972 . . . . 0.72 111.459 -166.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 23.9 p -60.58 -31.73 70.85 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 114.829 1.418 . . . . 0.51 114.829 -177.074 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -70.97 -21.06 62.37 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 114.844 1.424 . . . . 1.35 114.844 174.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -74.51 -42.53 58.76 Favored 'General case' 0 CA--C 1.548 0.88 0 CA-C-N 120.381 1.446 . . . . 1.46 110.208 169.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.547 ' O ' HD13 ' A' ' 41' ' ' ILE . 38.9 mmt180 -62.9 -41.69 99.52 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 114.965 -1.016 . . . . 1.68 111.79 169.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . 0.264 . . -83.31 3.37 31.78 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 116.954 2.205 . . . . 0.0 116.954 169.155 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.07 -37.63 75.53 Favored 'General case' 0 CA--C 1.546 0.796 0 O-C-N 119.163 -2.211 . . . . 0.0 112.137 146.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 81.7 mtt85 -69.88 -42.87 72.88 Favored 'General case' 0 CA--C 1.553 1.065 0 N-CA-C 113.948 1.092 . . . . 1.58 113.948 168.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.547 HD13 ' O ' ' A' ' 37' ' ' ARG . 3.1 mp -71.38 83.11 0.29 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.98 0 CA-C-O 127.26 3.409 . . . . 0.15 112.601 164.607 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.1 pttm -101.37 16.7 24.76 Favored 'General case' 0 CA--C 1.547 0.846 1 CA-C-N 107.416 -4.447 . . . . 1.44 115.066 -174.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 49.0 mm -64.59 -35.74 75.49 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.837 0 C-N-CA 124.379 1.072 . . . . 0.42 113.612 -169.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -171.84 160.3 32.0 Favored Glycine 0 CA--C 1.545 1.948 0 CA-C-O 118.102 -1.388 . . . . 0.0 115.262 173.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -52.18 -48.93 19.22 Favored 'Trans proline' 0 C--N 1.362 1.254 0 C-N-CA 124.956 3.771 . . . . 0.0 115.189 173.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 40.3 mttm -60.76 -34.25 74.17 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 113.9 1.074 . . . . 0.93 113.9 172.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 42.3 t -64.39 -56.51 13.87 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-O 117.657 -1.163 . . . . 0.22 111.356 175.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -51.39 -45.41 33.56 Favored 'Isoleucine or valine' 0 C--N 1.349 0.584 0 N-CA-C 114.757 1.392 . . . . 0.08 114.757 169.446 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -58.58 -52.38 65.92 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 114.991 1.478 . . . . 1.4 114.991 174.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.61 -52.11 56.86 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.45 1.1 . . . . 0.0 110.739 171.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.435 ' CE2' HD11 ' A' ' 41' ' ' ILE . 2.2 t80 -54.76 -54.05 47.08 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.113 1.365 . . . . 0.2 112.521 177.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 65.2 tttp -61.42 -47.08 87.4 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.469 1.108 . . . . 1.29 113.379 -178.017 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -69.13 -43.35 74.55 Favored 'General case' 0 C--O 1.244 0.806 0 CA-C-N 120.13 1.332 . . . . 0.63 113.528 179.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.3 m -58.37 -45.65 87.85 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-O 116.818 -1.563 . . . . 0.07 113.012 169.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 51.8 t -57.87 -45.76 85.85 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-N 121.246 1.839 . . . . 0.29 112.701 172.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 20.5 m-30 -59.5 -46.77 87.85 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 121.088 1.767 . . . . 1.85 113.991 176.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 19.2 mm -64.88 -41.88 93.35 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 CA-C-N 120.395 1.452 . . . . 0.63 113.309 173.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.85 -43.79 97.85 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 113.755 1.02 . . . . 0.0 113.755 174.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -61.72 -46.33 90.1 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.406 1.082 . . . . 0.87 112.767 172.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -68.62 -32.99 73.26 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 114.505 1.298 . . . . 1.17 114.505 177.258 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . 0.269 31.4 m -72.64 -32.94 43.05 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.722 0 CA-C-N 122.084 2.22 . . . . 0.41 113.479 164.775 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 7.9 tpp180 -64.2 -36.59 84.55 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 121.514 1.961 . . . . 1.96 113.73 170.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.5 -26.4 65.26 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 114.22 1.193 . . . . 0.0 114.22 168.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 . . . . . 0 CA--C 1.547 0.865 0 C-N-CA 123.887 0.875 . . . . 1.19 112.069 170.142 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 39.1 mt . . . . . 0 N--CA 1.48 1.061 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -59.29 -63.41 1.31 Allowed 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 116.707 -1.616 . . . . 0.0 112.168 172.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -68.08 -20.26 64.94 Favored 'General case' 0 CA--C 1.55 0.961 0 CA-C-N 124.064 3.12 . . . . 0.0 114.602 -175.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -87.21 -61.88 1.63 Allowed 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 122.071 2.214 . . . . 0.0 112.138 167.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.67 0.08 13.92 Favored 'General case' 0 CA--C 1.555 1.172 0 N-CA-C 118.032 2.604 . . . . 0.0 118.032 176.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.57 -49.2 19.31 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 124.46 3.3 . . . . 0.0 112.006 155.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -80.53 70.16 7.18 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-O 122.594 1.188 . . . . 0.0 111.33 -177.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.6 m-30 -55.49 -8.68 0.38 Allowed 'General case' 0 CA--C 1.552 1.038 0 N-CA-C 116.198 1.925 . . . . 0.0 116.198 173.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -61.36 -34.36 75.18 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 124.705 1.202 . . . . 0.0 112.586 160.034 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 11.1 m-30 -80.73 60.71 4.12 Favored 'General case' 0 CA--C 1.549 0.923 0 O-C-N 120.144 -1.598 . . . . 0.0 110.504 174.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.14 -50.09 67.75 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 115.443 1.646 . . . . 0.0 115.443 -166.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 47.8 mtm -66.44 -32.26 73.53 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 175.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 52.3 mt -83.87 -39.67 19.59 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.591 0.756 . . . . 0.0 112.171 -173.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.73 -29.42 67.83 Favored 'General case' 0 CA--C 1.546 0.803 0 O-C-N 121.021 -1.049 . . . . 0.0 112.2 164.367 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.7 tmtt? -63.07 -37.8 88.63 Favored 'General case' 0 CA--C 1.548 0.866 0 CA-C-N 121.818 2.099 . . . . 0.0 110.753 164.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 86.5 m -55.34 -40.96 71.86 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 122.694 2.497 . . . . 0.0 114.03 166.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -51.12 -55.99 14.96 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 118.74 0.7 . . . . 0.0 112.09 163.788 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 7.2 m-30 -73.53 -24.39 60.12 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 114.208 1.188 . . . . 0.0 114.208 -172.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.69 -54.33 47.4 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.489 1.516 . . . . 0.0 110.917 160.376 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.87 -37.83 95.54 Favored Glycine 0 CA--C 1.535 1.283 0 N-CA-C 115.32 0.888 . . . . 0.0 115.32 174.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.29 -38.26 86.16 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 118.449 1.125 . . . . 0.0 113.023 172.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 35.1 t80 -71.69 74.11 0.81 Allowed 'General case' 0 CA--C 1.555 1.157 0 CA-C-O 123.158 1.456 . . . . 0.0 112.158 168.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.5 mmm180 -76.14 83.08 2.97 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-O 123.054 1.407 . . . . 0.0 113.512 169.051 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -86.02 -36.3 19.82 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 114.297 -1.32 . . . . 0.0 113.498 171.004 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -63.61 -16.55 61.2 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 118.197 2.666 . . . . 0.0 118.197 -171.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 63.06 -50.43 0.2 Allowed 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 116.485 2.032 . . . . 0.0 116.485 177.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -73.0 -118.52 0.0 OUTLIER 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 125.13 1.372 . . . . 0.0 113.848 178.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 21.7 p -107.07 124.66 49.98 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 117.949 -2.969 . . . . 0.0 113.38 -179.284 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 22.1 p -68.27 -21.36 64.8 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 174.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 54.8 mp0 -63.31 -36.47 83.79 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.819 1.248 . . . . 0.0 113.9 177.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -69.65 -46.29 66.48 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 119.964 1.256 . . . . 0.0 112.649 174.09 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.495 ' O ' HD13 ' A' ' 41' ' ' ILE . 64.6 ttt180 -54.38 -51.03 66.1 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 114.858 -1.064 . . . . 0.0 111.755 168.659 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -80.67 -2.84 48.33 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 116.786 2.143 . . . . 0.0 116.786 174.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.17 -26.93 63.19 Favored 'General case' 0 CA--C 1.545 0.769 0 O-C-N 119.357 -2.089 . . . . 0.0 113.113 151.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.44 -43.87 59.4 Favored 'General case' 0 CA--C 1.552 1.035 0 CA-C-N 120.189 1.358 . . . . 0.0 114.337 159.783 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.495 HD13 ' O ' ' A' ' 37' ' ' ARG 0.291 3.3 mp -70.47 83.17 0.23 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.965 0 CA-C-O 126.94 3.257 . . . . 0.0 114.237 171.817 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 66.4 mmtt -102.74 27.98 6.51 Favored 'General case' 0 CA--C 1.547 0.855 1 CA-C-N 108.069 -4.15 . . . . 0.0 115.137 -178.717 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 47.7 mm -68.29 -35.31 70.52 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.912 0 O-C-N 120.68 -1.262 . . . . 0.0 112.765 -177.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -176.34 164.47 34.32 Favored Glycine 0 CA--C 1.547 2.053 0 CA-C-O 118.371 -1.238 . . . . 0.0 115.596 173.109 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.509 ' O ' ' HG2' ' A' ' 49' ' ' LYS . 70.0 Cg_exo -54.33 -47.91 24.34 Favored 'Trans proline' 0 C--N 1.359 1.128 0 C-N-CA 124.857 3.704 . . . . 0.0 115.708 174.071 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 15.5 mttm -62.24 -33.21 74.17 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.176 1.39 . . . . 0.0 113.826 172.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 27.3 t -63.37 -58.06 8.32 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.923 0.889 . . . . 0.0 111.263 172.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.406 ' O ' ' HB2' ' A' ' 52' ' ' LYS 0.288 0.0 OUTLIER -53.61 -34.35 23.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 N-CA-C 115.688 1.736 . . . . 0.0 115.688 172.557 . . . . . . . . 4 4 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.509 ' HG2' ' O ' ' A' ' 45' ' ' PRO . 33.3 mmtm -64.77 -54.05 37.39 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-N 120.039 1.291 . . . . 0.0 113.985 169.026 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -50.79 -50.41 56.23 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.831 1.252 . . . . 0.0 110.866 173.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.431 ' CE2' HD11 ' A' ' 41' ' ' ILE . 2.8 t80 -54.92 -54.72 38.97 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.045 1.338 . . . . 0.0 112.132 176.433 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.406 ' HB2' ' O ' ' A' ' 48' ' ' VAL . 0.0 OUTLIER -63.08 -44.1 96.67 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 -176.222 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -70.09 -45.46 66.92 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 113.178 0.807 . . . . 0.0 113.178 -178.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 2.0 m -59.14 -41.27 87.88 Favored 'General case' 0 CA--C 1.55 0.951 0 CA-C-O 117.234 -1.365 . . . . 0.0 113.855 166.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 20.3 t -55.81 -47.83 76.47 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 121.681 2.037 . . . . 0.0 113.941 171.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -66.91 -36.82 83.14 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 177.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 17.1 mm -67.4 -37.73 79.49 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 CA-C-N 120.561 1.528 . . . . 0.0 113.84 167.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.13 -43.62 82.55 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 169.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 64.3 m-80 -67.48 -33.94 76.14 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 114.77 1.396 . . . . 0.0 114.77 170.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -61.09 -43.24 99.18 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 119.974 1.261 . . . . 0.0 112.075 167.14 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 97.9 t -60.75 -43.55 95.46 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.824 0 C-N-CA 123.883 0.873 . . . . 0.0 112.793 171.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 45.6 mtt-85 -58.43 -35.91 72.82 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 169.023 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.4 -52.84 12.35 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 114.285 1.217 . . . . 0.0 114.285 172.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 . . . . . 0 CA--C 1.555 1.137 0 CA-C-O 124.077 1.894 . . . . 0.0 114.411 -177.192 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 73.5 mt . . . . . 0 N--CA 1.478 0.943 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -59.06 -37.76 77.8 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-O 117.378 -1.296 . . . . 0.0 113.524 177.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -67.52 -37.32 82.6 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 122.442 2.383 . . . . 0.0 114.37 172.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -86.43 -48.35 8.51 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 121.076 1.762 . . . . 0.0 113.794 174.261 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.11 4.37 2.78 Favored 'General case' 0 CA--C 1.554 1.104 0 N-CA-C 115.861 1.801 . . . . 0.0 115.861 167.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.84 -44.07 74.16 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 118.537 -2.602 . . . . 0.0 112.544 150.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 38.4 mttp -83.05 66.98 8.93 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-O 122.739 1.257 . . . . 0.0 110.936 -171.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -63.61 -13.54 43.14 Favored 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 114.482 1.289 . . . . 0.0 114.482 171.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.3 tmtt? -64.81 -40.46 95.26 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 124.726 1.21 . . . . 0.0 111.295 161.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -92.75 69.49 4.72 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-O 125.875 2.75 . . . . 0.0 110.617 174.063 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.5 -39.55 70.62 Favored 'General case' 0 CA--C 1.536 0.429 1 CA-C-N 107.8 -4.273 . . . . 0.0 114.174 -173.619 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 32.8 ttm -65.41 -36.51 84.18 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.377 1.071 . . . . 0.0 112.924 175.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 75.9 mt -82.76 -42.02 18.48 Favored 'General case' 0 C--O 1.24 0.604 0 O-C-N 121.183 -0.948 . . . . 0.0 112.524 -175.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.66 -29.32 69.87 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 119.052 -1.059 . . . . 0.0 112.851 164.001 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.9 tptp -63.87 -38.3 90.6 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 121.945 2.157 . . . . 0.0 111.292 166.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 99.4 m -52.84 -42.74 65.45 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 122.157 2.253 . . . . 0.0 113.491 166.361 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -51.05 -53.73 31.12 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 118.349 0.522 . . . . 0.0 112.181 163.672 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.289 6.5 m-30 -73.46 -25.9 60.69 Favored 'General case' 0 CA--C 1.554 1.114 0 N-CA-C 114.466 1.284 . . . . 0.0 114.466 -173.073 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -59.25 -41.95 89.96 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.005 1.322 . . . . 0.0 112.599 161.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.22 -40.55 92.33 Favored Glycine 0 CA--C 1.537 1.431 0 CA-C-O 118.952 -0.915 . . . . 0.0 114.622 167.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.92 -42.33 98.96 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 119.329 1.565 . . . . 0.0 114.104 178.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . 0.319 1.4 p90 -95.08 60.96 2.41 Favored 'General case' 0 CA--C 1.55 0.973 0 CA-C-N 121.58 1.991 . . . . 0.0 114.19 167.452 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.28 102.54 5.01 Favored 'General case' 0 CA--C 1.547 0.853 0 O-C-N 121.458 -0.776 . . . . 0.0 110.439 178.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -146.98 19.41 1.26 Allowed 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 114.972 1.471 . . . . 0.0 114.972 -177.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 16.9 p-10 -75.67 59.41 1.17 Allowed 'General case' 0 CA--C 1.555 1.135 0 N-CA-C 115.323 1.601 . . . . 0.0 115.323 -171.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 66.31 -53.91 0.41 Allowed 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 127.102 2.161 . . . . 0.0 115.68 172.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 60.2 mt-10 -73.04 174.09 8.39 Favored 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 124.242 1.017 . . . . 0.0 113.691 174.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.1 t -93.96 161.37 14.32 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 119.604 -1.935 . . . . 0.0 114.54 -168.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 94.0 m -59.77 -39.61 85.44 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 113.622 -1.626 . . . . 0.0 114.128 -171.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -65.5 -26.28 67.85 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 113.534 0.938 . . . . 0.0 113.534 -174.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -65.98 -55.6 15.94 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-O 123.437 1.589 . . . . 0.0 111.355 175.142 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.59 ' O ' HD13 ' A' ' 41' ' ' ILE . 9.2 mpt_? -63.89 -47.1 81.98 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 112.653 -2.067 . . . . 0.0 110.039 177.74 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -81.63 -0.13 41.08 Favored 'General case' 0 CA--C 1.551 1.012 0 N-CA-C 116.585 2.068 . . . . 0.0 116.585 175.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.58 -32.09 67.67 Favored 'General case' 0 CA--C 1.54 0.596 0 O-C-N 119.263 -2.148 . . . . 0.0 112.53 150.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 41.2 mmt180 -71.29 -44.14 65.79 Favored 'General case' 0 CA--C 1.552 1.037 0 N-CA-C 113.673 0.99 . . . . 0.0 113.673 165.003 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.59 HD13 ' O ' ' A' ' 37' ' ' ARG 0.293 3.2 mp -73.59 83.07 0.46 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.92 0 CA-C-O 126.587 3.089 . . . . 0.0 113.801 172.68 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 47.4 mttp -100.85 21.06 14.21 Favored 'General case' 0 CA--C 1.548 0.897 1 CA-C-N 108.191 -4.095 . . . . 0.0 115.655 -179.129 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 78.4 mt -65.04 -37.09 79.36 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.937 0 O-C-N 120.49 -1.381 . . . . 0.0 113.441 -172.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -175.96 163.83 33.57 Favored Glycine 0 CA--C 1.546 1.992 0 CA-C-O 117.887 -1.507 . . . . 0.0 115.411 173.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_exo -53.36 -48.47 21.8 Favored 'Trans proline' 0 C--N 1.36 1.157 0 C-N-CA 125.028 3.819 . . . . 0.0 115.76 175.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 22.8 mttm -64.98 -28.8 69.76 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 113.981 1.104 . . . . 0.0 113.981 173.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 38.7 t -66.55 -58.58 4.91 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 117.462 -1.256 . . . . 0.0 111.243 171.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -52.56 -39.34 29.27 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 N-CA-C 115.292 1.59 . . . . 0.0 115.292 171.097 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.3 ttmt -56.6 -56.48 20.83 Favored 'General case' 0 CA--C 1.55 0.976 0 CA-C-N 120.278 1.399 . . . . 0.0 113.539 170.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.78 -51.16 64.33 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.294 1.038 . . . . 0.0 111.173 173.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.411 ' CE2' HD11 ' A' ' 41' ' ' ILE . 2.9 t80 -55.35 -58.77 6.36 Favored 'General case' 0 C--N 1.347 0.495 0 C-N-CA 124.682 1.193 . . . . 0.0 111.684 177.8 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.418 ' O ' ' HD1' ' A' ' 56' ' ' TYR . 24.6 mtpp -61.77 -39.27 91.06 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 117.369 -1.301 . . . . 0.0 113.845 -177.678 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -68.24 -48.55 64.8 Favored 'General case' 0 C--O 1.244 0.773 0 CA-C-N 121.604 2.002 . . . . 0.0 114.047 176.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.2 m -59.59 -41.76 90.99 Favored 'General case' 0 CA--C 1.551 0.996 0 N-CA-C 113.682 0.993 . . . . 0.0 113.682 171.108 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 7.9 t -65.07 -41.86 94.67 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 119.826 1.194 . . . . 0.0 113.355 176.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.418 ' HD1' ' O ' ' A' ' 52' ' ' LYS . 35.6 m-85 -64.84 -36.4 84.22 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-O 117.329 -1.319 . . . . 0.0 113.104 172.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 21.9 mm -60.89 -45.55 98.01 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 CA-C-N 121.083 1.765 . . . . 0.0 113.135 166.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.56 -44.92 81.41 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 113.636 0.976 . . . . 0.0 113.636 172.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -65.05 -38.15 89.9 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 123.858 0.863 . . . . 0.0 112.986 172.018 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -64.33 -41.03 97.0 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 120.537 1.517 . . . . 0.0 113.315 170.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 90.5 t -62.04 -40.67 88.23 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.819 0 CA-C-N 119.651 1.114 . . . . 0.0 112.427 170.223 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 13.3 tpt180 -61.69 -42.43 98.93 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-N 119.204 0.911 . . . . 0.0 113.314 169.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.7 -54.21 14.88 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 114.383 1.253 . . . . 0.0 114.383 173.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 . . . . . 0 CA--C 1.549 0.937 0 CA-C-N 120.523 1.51 . . . . 0.0 113.404 -174.983 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.3 mp . . . . . 0 N--CA 1.483 1.177 0 CA-C-O 118.937 -0.554 . . . . 0.0 109.521 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.26 -32.2 70.94 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-O 116.458 -1.735 . . . . 0.0 114.299 175.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 72.9 mt-10 -66.41 -59.07 4.02 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 123.755 2.98 . . . . 0.0 114.051 167.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -67.67 -45.19 75.95 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 120.092 1.314 . . . . 0.0 113.041 -176.51 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.55 -1.58 22.05 Favored 'General case' 0 CA--C 1.558 1.28 0 N-CA-C 116.7 2.111 . . . . 0.0 116.7 164.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.52 -42.46 35.48 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 125.343 3.701 . . . . 0.0 112.682 151.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 52.0 mtpt -68.27 54.38 0.07 Allowed 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 125.143 1.377 . . . . 0.0 113.867 178.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -57.56 -26.93 62.16 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 115.729 1.751 . . . . 0.0 115.729 -178.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.38 -30.94 68.78 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.938 1.295 . . . . 0.0 113.6 166.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -89.96 71.59 7.49 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-O 125.082 2.372 . . . . 0.0 109.766 173.048 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.421 ' O ' ' HB2' ' A' ' 20' ' ' LYS . . . -55.69 -44.7 77.6 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 108.868 -3.787 . . . . 0.0 114.528 -168.304 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 31.7 ttm -65.89 -34.78 78.92 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.081 0.952 . . . . 0.0 112.641 177.018 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 73.8 mt -82.07 -42.99 18.47 Favored 'General case' 0 C--O 1.238 0.493 0 O-C-N 121.252 -0.905 . . . . 0.0 112.687 -174.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.79 -30.4 71.04 Favored 'General case' 0 CA--C 1.55 0.952 0 O-C-N 121.272 -0.892 . . . . 0.0 112.559 164.511 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.421 ' HB2' ' O ' ' A' ' 16' ' ' ALA . 3.2 tmtt? -64.29 -38.56 91.49 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-N 121.868 2.122 . . . . 0.0 110.329 167.52 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 94.2 m -54.52 -42.04 70.39 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 122.489 2.404 . . . . 0.0 113.787 167.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -50.34 -53.46 28.72 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 118.651 0.66 . . . . 0.0 112.064 163.417 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.276 7.2 m-30 -73.68 -26.2 60.62 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 -173.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -56.88 -47.67 79.92 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.189 0.996 . . . . 0.0 112.17 159.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.52 -44.02 85.58 Favored Glycine 0 CA--C 1.535 1.3 0 C-N-CA 123.825 0.726 . . . . 0.0 114.427 169.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.28 -50.03 71.72 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 114.44 1.274 . . . . 0.0 114.44 175.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . 0.402 2.9 p90 -81.14 83.92 6.67 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-N 122.371 2.35 . . . . 0.0 114.006 172.504 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -92.52 38.59 1.02 Allowed 'General case' 0 CA--C 1.555 1.164 0 CA-C-N 112.424 -2.171 . . . . 0.0 113.749 177.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 20.3 m120 -63.36 -24.23 67.76 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 115.554 1.687 . . . . 0.0 115.554 -175.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -64.46 -29.52 70.57 Favored 'General case' 0 CA--C 1.549 0.925 0 N-CA-C 115.057 1.502 . . . . 0.0 115.057 169.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . 0.275 28.2 m-20 53.94 35.41 21.83 Favored 'General case' 0 CA--C 1.55 0.948 0 N-CA-C 117.285 2.328 . . . . 0.0 117.285 -170.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -77.64 173.56 11.9 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-O 122.554 1.169 . . . . 0.0 113.134 163.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.8 p -71.45 131.51 43.43 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 120.783 -1.198 . . . . 0.0 112.012 169.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 98.4 m -56.36 -49.1 75.38 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.954 1.302 . . . . 0.0 114.243 -170.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -76.01 -15.67 60.1 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 114.375 1.25 . . . . 0.0 114.375 -179.303 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -86.33 -41.77 14.25 Favored 'General case' 0 C--O 1.242 0.689 0 CA-C-N 121.183 1.81 . . . . 0.0 111.958 171.292 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.551 ' O ' HD13 ' A' ' 41' ' ' ILE 0.266 15.5 ptt180 -66.15 -37.97 86.97 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-O 118.37 -0.824 . . . . 0.0 111.305 167.775 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . 0.25 . . -89.29 9.4 26.12 Favored 'General case' 0 CA--C 1.551 1.005 0 N-CA-C 116.864 2.172 . . . . 0.0 116.864 169.084 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.28 -39.53 71.48 Favored 'General case' 0 CA--C 1.542 0.65 0 O-C-N 118.917 -2.364 . . . . 0.0 111.956 144.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 75.4 mtm180 -68.75 -42.27 77.75 Favored 'General case' 0 CA--C 1.551 1.008 0 N-CA-C 114.061 1.134 . . . . 0.0 114.061 168.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.551 HD13 ' O ' ' A' ' 37' ' ' ARG 0.251 3.4 mp -74.19 81.2 0.48 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.902 0 CA-C-O 127.121 3.343 . . . . 0.0 112.485 162.054 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 62.3 pttt -98.07 16.29 21.6 Favored 'General case' 0 CA--C 1.548 0.871 1 CA-C-N 107.529 -4.396 . . . . 0.0 115.319 -173.707 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 82.3 mt -65.3 -43.01 95.17 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.846 0 N-CA-C 113.938 1.088 . . . . 0.0 113.938 -168.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -176.27 166.79 38.05 Favored Glycine 0 CA--C 1.542 1.78 0 CA-C-O 118.202 -1.332 . . . . 0.0 115.935 176.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -61.29 -44.48 23.13 Favored 'Trans proline' 0 C--N 1.359 1.108 0 C-N-CA 124.544 3.496 . . . . 0.0 115.915 -175.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -64.1 -32.82 74.53 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.732 0.813 . . . . 0.0 112.688 171.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 36.0 t -64.55 -59.86 3.81 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-O 117.136 -1.412 . . . . 0.0 111.276 174.149 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -49.89 -41.53 17.54 Favored 'Isoleucine or valine' 0 C--N 1.351 0.656 0 CA-C-N 120.6 1.545 . . . . 0.0 114.876 170.141 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.3 mmtt -64.05 -49.9 70.51 Favored 'General case' 0 CA--C 1.552 1.039 0 N-CA-C 115.445 1.646 . . . . 0.0 115.445 174.098 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.12 -50.03 65.31 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 124.332 1.053 . . . . 0.0 110.445 168.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.44 ' CE2' HD11 ' A' ' 41' ' ' ILE . 3.5 t80 -55.35 -59.19 5.15 Favored 'General case' 0 C--N 1.348 0.51 0 C-N-CA 124.99 1.316 . . . . 0.0 112.235 177.03 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 18.4 mmmt -59.94 -42.38 93.88 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 114.079 1.14 . . . . 0.0 114.079 -178.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . 0.25 13.9 m-20 -72.15 -41.73 66.76 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 121.229 1.831 . . . . 0.0 114.118 177.522 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.7 m -60.05 -35.52 75.3 Favored 'General case' 0 CA--C 1.551 0.982 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 166.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.6 t -66.05 -36.73 84.03 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 119.899 1.227 . . . . 0.0 113.178 173.323 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 43.6 m-85 -61.71 -40.23 94.32 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 120.225 1.375 . . . . 0.0 113.651 165.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 21.5 mm -60.79 -42.91 94.09 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 CA-C-N 119.773 1.17 . . . . 0.0 112.867 169.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.03 -43.2 86.62 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 113.958 1.096 . . . . 0.0 113.958 172.125 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -60.43 -43.35 96.88 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 119.672 1.124 . . . . 0.0 113.517 169.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -60.03 -39.84 87.28 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 123.737 0.815 . . . . 0.0 112.89 173.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 97.4 t -65.87 -55.73 18.09 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.748 0 CA-C-O 118.661 -0.685 . . . . 0.0 112.434 167.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -65.75 -12.34 53.06 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 116.105 1.891 . . . . 0.0 116.105 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.34 -26.81 68.64 Favored 'General case' 0 CA--C 1.547 0.845 0 O-C-N 120.835 -1.165 . . . . 0.0 114.133 160.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? . . . . . 0 CA--C 1.547 0.855 0 N-CA-C 115.099 1.518 . . . . 0.0 115.099 178.736 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 28.1 mt . . . . . 0 N--CA 1.481 1.091 0 CA-C-O 118.804 -0.617 . . . . 0.0 110.137 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -58.8 -46.36 87.76 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-O 117.138 -1.411 . . . . 0.0 112.752 174.217 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -63.3 -41.32 98.94 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 123.398 2.817 . . . . 0.0 114.333 171.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.575 ' O ' ' HE1' ' A' ' 13' ' ' TYR . 65.3 mm-40 -77.35 -41.81 38.97 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 114.716 1.376 . . . . 0.0 114.716 178.55 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -103.63 43.27 1.1 Allowed 'General case' 0 CA--C 1.551 1.015 0 N-CA-C 118.68 2.844 . . . . 0.0 118.68 163.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.8 28.6 0.0 OUTLIER 'General case' 0 CA--C 1.557 1.245 0 O-C-N 118.17 -2.831 . . . . 0.0 118.58 167.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 59.2 mtpt 44.03 46.89 7.2 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 127.329 2.252 . . . . 0.0 114.388 -172.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.575 ' HE1' ' O ' ' A' ' 9' ' ' GLU . 1.0 OUTLIER -123.58 -150.7 0.46 Allowed 'General case' 0 CA--C 1.55 0.975 0 CA-C-N 115.227 -0.897 . . . . 0.0 111.629 -160.474 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -71.64 -45.18 62.81 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.951 1.7 . . . . 0.0 115.178 -166.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -80.03 78.7 6.64 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-O 123.8 1.762 . . . . 0.0 114.025 -172.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.16 -54.93 32.98 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 111.335 -2.666 . . . . 0.0 116.183 -177.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 65.0 mtp -66.17 -28.97 69.18 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 113.396 0.888 . . . . 0.0 113.396 -179.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -78.13 -50.0 12.82 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.844 1.258 . . . . 0.0 112.698 -179.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 25.5 pttm -61.94 -28.94 69.9 Favored 'General case' 0 CA--C 1.547 0.86 0 O-C-N 120.942 -1.099 . . . . 0.0 113.793 164.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -66.25 -36.24 82.5 Favored 'General case' 0 CA--C 1.553 1.091 0 CA-C-N 120.911 1.687 . . . . 0.0 111.233 166.412 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.8 m -57.08 -39.39 74.87 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-N 123.408 2.822 . . . . 0.0 114.326 164.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -50.65 -52.79 36.5 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-N 119.229 0.922 . . . . 0.0 111.421 163.463 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.284 7.0 m-30 -74.63 -21.67 59.32 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 114.423 1.268 . . . . 0.0 114.423 -174.715 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -58.16 -49.04 78.41 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.584 0.754 . . . . 0.0 112.857 156.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.28 -40.6 98.82 Favored Glycine 0 CA--C 1.532 1.146 0 N-CA-C 115.2 0.84 . . . . 0.0 115.2 173.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.66 -42.46 95.37 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 113.199 0.814 . . . . 0.0 113.199 172.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -74.75 73.94 2.07 Favored 'General case' 0 CA--C 1.554 1.107 0 CA-C-O 123.215 1.483 . . . . 0.0 112.429 173.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 73.4 ttt180 -95.14 115.35 27.32 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.692 169.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -134.13 -106.81 0.23 Allowed 'General case' 0 CA--C 1.553 1.077 0 CA-C-O 117.796 -1.097 . . . . 0.0 112.909 -165.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -63.7 -24.0 67.6 Favored 'General case' 0 CA--C 1.55 0.947 0 CA-C-N 122.448 2.385 . . . . 0.0 113.299 174.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -68.44 125.54 26.79 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-O 122.661 1.219 . . . . 0.0 112.815 174.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -65.65 -59.85 3.51 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 114.369 -1.287 . . . . 0.0 113.914 176.179 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 92.8 m -123.77 112.3 17.16 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 118.751 0.705 . . . . 0.0 111.795 -174.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 12.1 p -63.2 -27.41 69.34 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 116.364 1.986 . . . . 0.0 116.364 -177.154 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -70.11 -29.8 66.85 Favored 'General case' 0 CA--C 1.55 0.977 0 CA-C-N 119.792 1.178 . . . . 0.0 114.072 174.154 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -69.81 -47.23 63.57 Favored 'General case' 0 CA--C 1.548 0.872 0 O-C-N 119.998 -1.689 . . . . 0.0 111.041 172.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.508 ' O ' HD13 ' A' ' 41' ' ' ILE . 67.7 ttt180 -52.36 -48.65 65.42 Favored 'General case' 0 CA--C 1.547 0.863 0 CA-C-N 113.333 -1.758 . . . . 0.0 112.277 167.182 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -87.98 7.72 29.77 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 117.344 2.35 . . . . 0.0 117.344 172.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.04 -47.65 79.37 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 119.188 -2.195 . . . . 0.0 110.375 143.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 84.7 mtt-85 -66.66 -47.45 72.48 Favored 'General case' 0 CA--C 1.554 1.133 0 N-CA-C 114.594 1.331 . . . . 0.0 114.594 174.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.508 HD13 ' O ' ' A' ' 37' ' ' ARG . 3.3 mp -67.04 90.23 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 CA-C-O 126.426 3.012 . . . . 0.0 112.663 168.574 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.18 46.08 2.05 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-N 109.171 -3.649 . . . . 0.0 112.496 176.026 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 89.6 mt -68.97 -40.96 81.6 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.813 0 O-C-N 121.373 -0.829 . . . . 0.0 111.927 177.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -169.16 158.1 30.43 Favored Glycine 0 CA--C 1.544 1.882 0 CA-C-O 117.465 -1.742 . . . . 0.0 114.117 174.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -51.63 -44.72 42.44 Favored 'Trans proline' 0 C--N 1.359 1.103 0 C-N-CA 125.013 3.809 . . . . 0.0 115.747 176.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 51.2 tttm -65.88 -32.91 74.68 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 124.464 1.106 . . . . 0.0 112.235 175.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -68.02 -55.67 11.76 Favored 'General case' 0 C--N 1.348 0.54 0 C-N-CA 124.347 1.059 . . . . 0.0 111.061 174.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -54.22 -39.72 44.14 Favored 'Isoleucine or valine' 0 C--N 1.351 0.669 0 N-CA-C 114.901 1.445 . . . . 0.0 114.901 171.132 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.0 tttt -56.37 -58.85 6.23 Favored 'General case' 0 CA--C 1.549 0.942 0 CA-C-N 119.564 1.075 . . . . 0.0 112.967 171.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.05 -50.13 59.22 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.579 1.152 . . . . 0.0 111.664 173.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.437 ' CE2' HD11 ' A' ' 41' ' ' ILE . 1.9 t80 -55.01 -55.79 26.96 Favored 'General case' 0 C--N 1.349 0.577 0 CA-C-O 117.521 -1.228 . . . . 0.0 111.596 176.186 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.6 mmmt -59.95 -41.5 92.02 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 120.06 1.3 . . . . 0.0 113.858 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -62.47 -50.12 72.69 Favored 'General case' 0 CA--C 1.55 0.971 0 CA-C-N 120.879 1.672 . . . . 0.0 112.972 177.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 17.5 m -63.12 -37.82 88.73 Favored 'General case' 0 CA--C 1.555 1.141 0 N-CA-C 114.634 1.346 . . . . 0.0 114.634 170.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.7 t -60.11 -40.65 90.42 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 120.769 1.622 . . . . 0.0 113.198 169.062 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -62.61 -40.54 97.29 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-O 115.835 -2.031 . . . . 0.0 113.882 169.222 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.435 1.9 pp -69.79 -31.92 50.14 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 CA-C-N 124.377 3.262 . . . . 0.0 114.663 169.349 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.02 -40.42 93.51 Favored 'General case' 0 CA--C 1.547 0.847 0 CA-C-N 120.319 1.418 . . . . 0.0 112.806 169.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -63.29 -41.61 99.0 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 112.948 0.721 . . . . 0.0 112.948 170.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 30.3 mm100 -62.52 -40.1 95.67 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-O 118.113 -0.946 . . . . 0.0 113.376 170.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 94.3 t -60.04 -45.11 95.92 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.808 0 CA-C-N 120.289 1.404 . . . . 0.0 112.437 170.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -64.15 -35.83 82.07 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 114.911 1.449 . . . . 0.0 114.911 171.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.81 -53.26 10.66 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 120.231 1.378 . . . . 0.0 114.161 171.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 . . . . . 0 CA--C 1.548 0.887 0 CA-C-O 123.348 1.547 . . . . 0.0 113.094 -175.161 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 72.2 mt . . . . . 0 N--CA 1.477 0.875 0 CA-C-O 117.477 -1.249 . . . . 0.0 109.722 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -73.26 -10.81 60.16 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 121.403 1.91 . . . . 0.0 115.73 176.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -68.76 -40.99 79.46 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 125.718 3.872 . . . . 0.0 111.711 160.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -86.14 -31.23 21.94 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 114.635 1.346 . . . . 0.0 114.635 178.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -99.04 28.51 4.36 Favored 'General case' 0 CA--C 1.558 1.268 0 N-CA-C 119.399 3.111 . . . . 0.0 119.399 158.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.94 56.22 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.25 0 O-C-N 117.309 -3.369 . . . . 0.0 117.287 164.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . 0.272 0.8 OUTLIER 65.63 -50.05 0.38 Allowed 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 128.308 2.643 . . . . 0.0 114.074 177.232 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 64.17 130.29 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 120.374 3.472 . . . . 0.0 120.374 167.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm -66.99 -43.43 82.96 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 109.959 -3.291 . . . . 0.0 111.567 150.018 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -82.52 68.54 9.01 Favored 'General case' 0 CA--C 1.554 1.099 0 CA-C-O 125.542 2.591 . . . . 0.0 112.273 177.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.57 -36.36 80.43 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 109.724 -3.398 . . . . 0.0 114.758 -177.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 62.5 mtp -65.37 -31.62 72.82 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.9 0.88 . . . . 0.0 112.984 174.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -78.44 -46.66 19.24 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.375 1.07 . . . . 0.0 112.394 176.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -50.29 -40.79 49.44 Favored 'General case' 0 CA--C 1.561 1.373 0 N-CA-C 115.126 1.528 . . . . 0.0 115.126 157.153 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.6 tptp -63.2 -35.7 81.19 Favored 'General case' 0 CA--C 1.551 0.986 0 O-C-N 118.555 -2.591 . . . . 0.0 112.686 169.013 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -56.14 -41.36 75.26 Favored 'General case' 0 CA--C 1.553 1.087 0 CA-C-N 121.322 1.873 . . . . 0.0 112.02 167.098 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -48.79 -54.26 15.83 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 124.12 0.968 . . . . 0.0 111.657 163.434 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.256 9.1 m-30 -71.74 -31.64 66.88 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 114.888 1.44 . . . . 0.0 114.888 -173.488 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -62.08 -33.04 73.68 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 113.331 0.863 . . . . 0.0 113.331 164.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -74.9 -40.39 36.12 Favored Glycine 0 CA--C 1.535 1.313 0 CA-C-N 118.943 0.792 . . . . 0.0 114.682 168.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.12 -35.5 73.56 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.355 1.062 . . . . 0.0 113.658 176.276 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -70.74 72.3 0.53 Allowed 'General case' 0 CA--C 1.554 1.134 0 O-C-N 121.219 -0.926 . . . . 0.0 112.656 163.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -65.12 112.51 3.42 Favored 'General case' 0 CA--C 1.55 0.946 0 CA-C-O 122.706 1.241 . . . . 0.0 113.191 177.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -69.15 142.57 54.33 Favored 'General case' 0 CA--C 1.551 1.008 0 CA-C-N 113.702 -1.59 . . . . 0.0 114.263 176.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -69.51 61.23 0.15 Allowed 'General case' 0 CA--C 1.549 0.92 0 CA-C-O 123.625 1.679 . . . . 0.0 115.381 -179.19 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -104.67 -172.51 2.11 Favored 'General case' 0 CA--C 1.554 1.133 0 CA-C-N 113.692 -1.595 . . . . 0.0 110.612 168.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -65.19 -62.96 1.23 Allowed 'General case' 0 CA--C 1.545 0.786 0 O-C-N 120.623 -1.298 . . . . 0.0 110.547 172.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.2 t -144.24 138.09 27.76 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-O 122.074 0.94 . . . . 0.0 111.789 170.061 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.5 p -66.21 -27.83 68.28 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 115.166 -0.924 . . . . 0.0 113.306 172.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -69.73 -23.48 63.4 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 114.869 1.433 . . . . 0.0 114.869 -175.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -66.4 -53.31 37.28 Favored 'General case' 0 CA--C 1.546 0.827 0 CA-C-N 119.505 1.048 . . . . 0.0 111.656 169.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.472 ' O ' HG13 ' A' ' 41' ' ' ILE . 57.0 mtp180 -59.6 -46.95 87.44 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 114.742 -1.117 . . . . 0.0 111.981 172.041 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -77.9 -5.85 52.38 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 117.396 2.369 . . . . 0.0 117.396 173.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.39 -46.94 78.07 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 119.698 -1.876 . . . . 0.0 111.55 151.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.3 mtp180 -73.98 -21.99 59.79 Favored 'General case' 0 CA--C 1.552 1.04 0 N-CA-C 115.878 1.807 . . . . 0.0 115.878 174.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.472 HG13 ' O ' ' A' ' 37' ' ' ARG . 52.6 mt -67.53 95.03 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 CA-C-O 125.208 2.433 . . . . 0.0 109.93 166.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.15 27.52 9.58 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 110.298 -3.137 . . . . 0.0 115.202 179.493 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 47.7 pt -68.91 -30.64 47.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 N-CA-C 115.217 1.562 . . . . 0.0 115.217 -175.081 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -171.42 137.63 4.46 Favored Glycine 0 CA--C 1.543 1.836 0 CA-C-O 116.56 -2.245 . . . . 0.0 113.03 175.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -62.45 -44.69 17.21 Favored 'Trans proline' 0 CA--C 1.545 1.063 0 CA-C-N 123.688 3.744 . . . . 0.0 116.674 -171.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.5 tmtt? -69.69 -30.06 67.62 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 119.064 0.847 . . . . 0.0 111.182 173.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -65.58 -58.42 5.82 Favored 'General case' 0 C--N 1.35 0.594 0 CA-C-O 116.084 -1.912 . . . . 0.0 108.893 175.17 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . 0.269 0.1 OUTLIER -54.85 -36.2 36.56 Favored 'Isoleucine or valine' 0 C--N 1.352 0.689 0 CA-C-N 122.377 2.353 . . . . 0.0 115.866 169.437 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 51.3 tttm -56.27 -55.24 35.73 Favored 'General case' 0 CA--C 1.551 1.0 0 CA-C-N 122.238 2.29 . . . . 0.0 112.454 170.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.64 -54.59 45.35 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.906 0.882 . . . . 0.0 112.83 172.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -58.98 -57.28 13.76 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 125.055 1.342 . . . . 0.0 114.053 179.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.3 ttpp -71.52 -28.69 64.06 Favored 'General case' 0 CA--C 1.552 1.02 0 CA-C-N 118.63 0.65 . . . . 0.0 111.113 -175.06 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.417 ' O ' HG12 ' A' ' 57' ' ' ILE . 89.1 m-20 -74.24 -46.09 43.86 Favored 'General case' 0 C--N 1.359 0.998 0 CA-C-N 121.031 1.741 . . . . 0.0 113.163 173.36 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.2 m -56.76 -43.23 80.57 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 120.089 1.313 . . . . 0.0 113.106 167.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -58.4 -45.84 87.6 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 120.133 1.333 . . . . 0.0 113.452 171.788 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -57.96 -46.63 84.82 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 120.036 1.289 . . . . 0.0 113.008 171.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.417 HG12 ' O ' ' A' ' 53' ' ' ASP . 5.0 mm -65.72 -40.73 88.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 CA-C-N 120.173 1.351 . . . . 0.0 112.319 177.13 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.0 -44.29 94.64 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 171.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -63.89 -41.21 97.78 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 123.662 0.785 . . . . 0.0 112.766 171.116 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -57.89 -46.56 84.73 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.454 1.102 . . . . 0.0 112.539 170.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 84.5 t -62.53 -49.17 84.92 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.703 0 CA-C-O 117.84 -1.076 . . . . 0.0 112.562 171.006 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 63.9 mtp180 -66.6 -23.62 66.21 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 121.229 1.831 . . . . 0.0 115.731 176.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.49 -36.66 65.82 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 120.687 1.585 . . . . 0.0 113.571 164.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 . . . . . 0 CA--C 1.546 0.818 0 C-N-CA 124.1 0.96 . . . . 0.0 113.407 175.431 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 15.7 mt . . . . . 0 N--CA 1.482 1.145 0 CA-C-O 118.99 -0.528 . . . . 0.0 109.626 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -56.23 -51.48 67.94 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.026 0.931 . . . . 0.0 112.83 174.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -66.71 -29.17 69.1 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 121.744 2.065 . . . . 0.0 114.814 178.182 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -93.44 -28.99 15.8 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 120.624 1.556 . . . . 0.0 115.016 174.198 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -107.07 33.1 4.14 Favored 'General case' 0 CA--C 1.557 1.231 0 N-CA-C 119.272 3.064 . . . . 0.0 119.272 162.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -49.45 -58.69 4.7 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 118.136 2.643 . . . . 0.0 118.136 177.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -155.6 -58.99 0.1 Allowed 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.518 1.127 . . . . 0.0 108.804 174.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 70.62 123.1 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 120.902 3.667 . . . . 0.0 120.902 167.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.79 -47.7 77.15 Favored 'General case' 0 CA--C 1.55 0.96 0 CA-C-N 110.036 -3.256 . . . . 0.0 109.877 149.826 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -82.81 68.01 9.11 Favored 'General case' 0 CA--C 1.551 1.009 0 CA-C-O 126.818 3.199 . . . . 0.0 113.662 176.01 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.45 -29.21 67.63 Favored 'General case' 0 CA--C 1.537 0.456 1 CA-C-N 107.471 -4.422 . . . . 0.0 113.005 176.49 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 47.8 mtm -64.99 -32.64 74.46 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.791 1.236 . . . . 0.0 113.562 171.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 73.4 mt -85.01 -40.56 16.73 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 121.167 -0.958 . . . . 0.0 111.585 -179.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 73.6 tttt -55.44 -42.1 73.76 Favored 'General case' 0 CA--C 1.557 1.244 0 N-CA-C 114.502 1.297 . . . . 0.0 114.502 157.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.2 ttpp -69.25 -21.2 63.92 Favored 'General case' 0 CA--C 1.552 1.046 0 O-C-N 119.034 -2.291 . . . . 0.0 112.691 170.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.2 t -65.58 -37.33 86.36 Favored 'General case' 0 CA--C 1.551 1.001 0 O-C-N 120.079 -1.638 . . . . 0.0 112.666 163.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -51.63 -54.4 28.25 Favored 'General case' 0 N--CA 1.485 1.307 0 CA-C-N 119.385 0.993 . . . . 0.0 111.009 159.542 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.295 4.8 m-30 -73.56 -19.57 60.86 Favored 'General case' 0 CA--C 1.554 1.104 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 -174.131 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.52 -48.83 80.14 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.663 1.585 . . . . 0.0 111.997 157.705 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.71 -41.03 95.61 Favored Glycine 0 CA--C 1.532 1.132 0 N-CA-C 115.418 0.927 . . . . 0.0 115.418 171.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.94 -43.51 87.83 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 113.741 1.015 . . . . 0.0 113.741 173.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -74.63 67.51 1.55 Allowed 'General case' 0 CA--C 1.556 1.201 0 CA-C-O 123.298 1.523 . . . . 0.0 112.844 177.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 70.1 ttt180 -79.0 63.07 3.59 Favored 'General case' 0 CA--C 1.553 1.093 0 CA-C-O 124.303 2.002 . . . . 0.0 112.704 175.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -120.42 -33.24 3.91 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 113.414 -1.721 . . . . 0.0 113.356 178.015 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -66.24 -35.54 80.69 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 114.007 1.114 . . . . 0.0 114.007 179.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -142.04 145.8 34.78 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.541 1.136 . . . . 0.0 109.478 178.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -65.77 -32.01 73.31 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 178.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 18.1 p -118.64 101.28 8.0 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 120.22 1.373 . . . . 0.0 112.548 -177.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.6 p -63.18 -32.7 74.16 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 115.87 1.804 . . . . 0.0 115.87 -175.039 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -67.16 -39.09 86.45 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 124.043 0.937 . . . . 0.0 113.422 174.211 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -72.77 -42.74 63.65 Favored 'General case' 0 CA--C 1.547 0.836 0 O-C-N 121.04 -1.037 . . . . 0.0 110.526 176.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.573 ' O ' HD13 ' A' ' 41' ' ' ILE . 64.5 ttt180 -51.92 -47.41 64.68 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 115.052 -0.976 . . . . 0.0 112.121 165.443 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -83.46 -1.22 53.07 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 117.72 2.489 . . . . 0.0 117.72 172.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.94 -32.88 74.43 Favored 'General case' 0 CA--C 1.548 0.894 0 O-C-N 119.828 -1.795 . . . . 0.0 112.086 148.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 28.5 mtt180 -73.87 -47.19 39.95 Favored 'General case' 0 CA--C 1.555 1.158 0 O-C-N 121.158 -0.964 . . . . 0.0 113.243 168.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.573 HD13 ' O ' ' A' ' 37' ' ' ARG 0.278 3.3 mp -67.92 86.38 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.878 0 CA-C-O 126.855 3.217 . . . . 0.0 114.257 171.27 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -100.01 13.41 34.09 Favored 'General case' 0 CA--C 1.548 0.897 1 CA-C-N 107.742 -4.299 . . . . 0.0 115.138 179.185 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 91.5 mt -63.08 -38.89 83.26 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.937 0 N-CA-C 114.428 1.27 . . . . 0.0 114.428 -167.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -167.88 159.86 33.25 Favored Glycine 0 CA--C 1.544 1.903 0 CA-C-O 117.934 -1.481 . . . . 0.0 115.002 175.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_exo -53.54 -50.72 12.87 Favored 'Trans proline' 0 C--N 1.36 1.162 0 C-N-CA 124.827 3.685 . . . . 0.0 115.419 174.276 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -61.34 -32.55 72.43 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 113.436 0.902 . . . . 0.0 113.436 173.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 3.9 t -64.29 -59.37 4.47 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-O 117.757 -1.116 . . . . 0.0 109.628 175.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . 0.286 0.0 OUTLIER -55.3 -38.17 46.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 N-CA-C 115.561 1.689 . . . . 0.0 115.561 172.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 24.8 mtpt -56.05 -55.24 35.28 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 121.601 2.001 . . . . 0.0 113.613 169.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.53 -52.61 63.13 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.587 1.155 . . . . 0.0 110.319 176.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.444 ' CE2' HD11 ' A' ' 41' ' ' ILE . 1.7 t80 -55.16 -55.89 26.13 Favored 'General case' 0 C--N 1.346 0.421 0 CA-C-O 117.019 -1.467 . . . . 0.0 111.481 177.294 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 47.0 mttm -57.98 -47.91 81.57 Favored 'General case' 0 C--N 1.345 0.409 0 CA-C-N 120.181 1.355 . . . . 0.0 113.638 -178.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -67.82 -44.05 78.18 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 120.473 1.488 . . . . 0.0 113.565 -178.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 17.5 m -62.28 -37.29 84.93 Favored 'General case' 0 CA--C 1.557 1.218 0 N-CA-C 114.038 1.125 . . . . 0.0 114.038 168.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.6 t -62.85 -41.72 99.47 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 120.715 1.598 . . . . 0.0 114.127 170.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -65.39 -31.87 73.21 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 120.682 1.583 . . . . 0.0 112.961 171.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 21.6 mm -62.67 -48.24 89.11 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 CA-C-N 120.595 1.543 . . . . 0.0 113.112 163.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.02 -46.67 71.89 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 123.9 0.88 . . . . 0.0 113.196 173.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -63.89 -32.95 74.65 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 174.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -68.39 -56.25 9.16 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 119.66 1.118 . . . . 0.0 112.814 166.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . 0.26 33.1 m -64.89 -22.89 32.3 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 CA-C-N 120.905 1.684 . . . . 0.0 115.006 -176.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 12.9 mmt85 -59.72 -19.56 50.77 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 120.916 1.689 . . . . 0.0 114.976 166.219 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.69 -25.72 44.82 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 120.399 1.454 . . . . 0.0 112.929 170.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 . . . . . 0 CA--C 1.543 0.686 0 O-C-N 121.622 -0.674 . . . . 0.0 112.421 173.796 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 60.0 mt . . . . . 0 N--CA 1.48 1.036 0 CA-C-O 118.959 -0.544 . . . . 0.0 110.16 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -61.0 -45.16 95.94 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 116.69 -1.624 . . . . 0.0 113.556 175.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 -63.85 -39.18 93.61 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 124.035 3.107 . . . . 0.0 114.288 175.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.509 ' O ' ' HE1' ' A' ' 13' ' ' TYR . 0.5 OUTLIER -82.94 -37.92 23.48 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 114.672 1.36 . . . . 0.0 114.672 177.182 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -105.96 45.65 0.96 Allowed 'General case' 0 CA--C 1.553 1.07 0 N-CA-C 117.959 2.578 . . . . 0.0 117.959 162.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.7 28.01 0.01 OUTLIER 'General case' 0 CA--C 1.554 1.117 0 N-CA-C 119.176 3.028 . . . . 0.0 119.176 170.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 50.23 43.1 26.26 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 126.223 1.809 . . . . 0.0 113.65 -174.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.509 ' HE1' ' O ' ' A' ' 9' ' ' GLU . 0.6 OUTLIER -124.78 -152.32 0.51 Allowed 'General case' 0 CA--C 1.551 0.999 0 CA-C-N 115.174 -0.921 . . . . 0.0 111.678 -161.588 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 66.0 tttt -67.32 -47.37 70.73 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 126.259 1.824 . . . . 0.0 114.537 -166.14 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -83.16 80.28 9.11 Favored 'General case' 0 CA--C 1.545 0.75 0 CA-C-O 123.913 1.816 . . . . 0.0 114.106 -170.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.7 -46.1 77.74 Favored 'General case' 0 CA--C 1.541 0.635 0 CA-C-N 111.606 -2.543 . . . . 0.0 115.265 177.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.04 -32.62 74.43 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.15 0.98 . . . . 0.0 113.606 177.066 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 36.0 mt -85.46 -43.39 13.63 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.319 0.647 . . . . 0.0 111.463 -174.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.4 ptpp? -59.96 -32.64 71.0 Favored 'General case' 0 CA--C 1.549 0.914 0 O-C-N 120.696 -1.252 . . . . 0.0 113.539 161.125 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.1 ttpp -62.39 -39.98 94.98 Favored 'General case' 0 CA--C 1.549 0.922 0 CA-C-N 121.8 2.091 . . . . 0.0 111.615 167.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.2 m -51.73 -44.43 63.25 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 122.124 2.238 . . . . 0.0 113.125 166.299 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -50.35 -53.37 29.49 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 118.534 0.606 . . . . 0.0 112.408 166.513 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.406 ' O ' ' HD2' ' A' ' 27' ' ' TYR 0.252 6.6 m-30 -74.56 -30.53 61.77 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 114.136 1.162 . . . . 0.0 114.136 -172.824 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -62.05 -33.01 73.59 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 113.481 0.919 . . . . 0.0 113.481 163.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.43 -45.9 35.57 Favored Glycine 0 CA--C 1.537 1.466 0 CA-C-N 118.656 0.662 . . . . 0.0 114.359 167.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.07 -36.68 82.39 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 115.29 1.589 . . . . 0.0 115.29 -179.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.406 ' HD2' ' O ' ' A' ' 23' ' ' TYR . 59.4 m-85 -74.2 66.92 1.31 Allowed 'General case' 0 CA--C 1.553 1.061 0 N-CA-C 114.395 1.258 . . . . 0.0 114.395 173.256 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.472 ' HD3' ' O ' ' A' ' 29' ' ' ASN . 0.7 OUTLIER 63.68 -55.47 0.21 Allowed 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 127.154 2.181 . . . . 0.0 116.289 170.104 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.472 ' O ' ' HD3' ' A' ' 28' ' ' ARG . 28.2 t-20 71.99 146.46 0.07 Allowed 'General case' 0 CA--C 1.555 1.154 0 C-N-CA 127.488 2.315 . . . . 0.0 114.481 -171.433 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -61.91 -24.08 66.73 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 115.944 1.831 . . . . 0.0 115.944 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -101.03 144.24 30.2 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 120.233 1.379 . . . . 0.0 113.419 -174.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -69.59 -17.21 63.52 Favored 'General case' 0 CA--C 1.546 0.821 0 CA-C-N 113.641 -1.618 . . . . 0.0 114.6 172.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 89.1 m -142.71 84.34 1.84 Allowed 'General case' 0 CA--C 1.542 0.636 0 O-C-N 119.042 -2.286 . . . . 0.0 109.666 165.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 30.9 p -61.6 -20.99 63.95 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 114.016 -1.447 . . . . 0.0 114.896 -176.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.6 mp0 -64.73 -32.08 73.59 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.976 1.31 . . . . 0.0 113.239 174.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -66.26 -48.52 70.2 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-O 123.583 1.658 . . . . 0.0 111.971 171.231 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.462 ' O ' HD13 ' A' ' 41' ' ' ILE . 45.8 mmm-85 -60.88 -45.08 96.0 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 113.214 -1.812 . . . . 0.0 111.564 172.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -80.69 3.31 22.53 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 122.061 2.209 . . . . 0.0 116.679 171.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.45 -37.48 77.36 Favored 'General case' 0 CA--C 1.547 0.845 0 O-C-N 119.329 -2.107 . . . . 0.0 111.863 145.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 80.8 mtp180 -80.06 -40.53 27.5 Favored 'General case' 0 CA--C 1.558 1.265 0 N-CA-C 116.722 2.119 . . . . 0.0 116.722 171.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.462 HD13 ' O ' ' A' ' 37' ' ' ARG 0.278 2.2 mp -51.63 97.38 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.547 0.841 0 CA-C-O 126.479 3.038 . . . . 0.0 114.412 167.658 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -110.18 36.93 2.86 Favored 'General case' 0 CA--C 1.549 0.935 1 CA-C-N 108.033 -4.167 . . . . 0.0 114.342 -179.595 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 95.0 mt -68.51 -48.23 73.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 O-C-N 120.719 -1.238 . . . . 0.0 112.9 -179.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -177.14 149.32 9.42 Favored Glycine 0 CA--C 1.542 1.78 0 CA-C-O 116.095 -2.503 . . . . 0.0 113.185 176.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_exo -48.33 -57.57 2.27 Favored 'Trans proline' 0 C--N 1.36 1.174 1 C-N-CA 125.388 4.059 . . . . 0.0 117.199 -172.467 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 20.2 mtpp -66.05 -27.18 67.9 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.895 1.072 . . . . 0.0 113.895 173.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.33 -54.28 22.09 Favored 'General case' 0 C--N 1.349 0.58 0 CA-C-O 116.866 -1.54 . . . . 0.0 109.675 173.252 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -52.99 -46.7 53.99 Favored 'Isoleucine or valine' 0 C--N 1.352 0.7 0 CA-C-N 121.375 1.898 . . . . 0.0 114.318 171.065 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -55.14 -53.34 57.19 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 119.951 1.251 . . . . 0.0 113.217 174.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.44 -56.24 24.42 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.39 0.676 . . . . 0.0 111.723 174.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -59.3 -53.36 59.11 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.465 1.106 . . . . 0.0 113.536 -178.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -65.91 -44.06 86.32 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-O 118.982 -0.532 . . . . 0.0 110.922 -177.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.481 ' O ' HG12 ' A' ' 57' ' ' ILE . 39.9 m-20 -70.94 -43.79 67.44 Favored 'General case' 0 C--N 1.355 0.838 0 CA-C-N 119.683 1.128 . . . . 0.0 112.914 -177.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.5 m -57.98 -42.04 84.25 Favored 'General case' 0 CA--C 1.548 0.9 0 CA-C-O 117.505 -1.236 . . . . 0.0 113.658 166.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.59 -39.53 88.47 Favored 'General case' 0 CA--C 1.548 0.881 0 CA-C-N 121.518 1.963 . . . . 0.0 113.572 176.265 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -59.36 -44.67 92.66 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 123.453 0.701 . . . . 0.0 112.859 170.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.481 HG12 ' O ' ' A' ' 53' ' ' ASP . 6.4 mm -68.1 -35.82 73.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 O-C-N 121.383 -0.823 . . . . 0.0 112.672 174.437 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.65 -45.17 77.71 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.509 0.723 . . . . 0.0 112.864 168.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -59.55 -50.69 72.91 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 113.437 0.902 . . . . 0.0 113.437 168.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -57.36 -50.05 74.19 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.825 0.85 . . . . 0.0 113.097 177.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 76.5 t -64.19 -50.71 75.55 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.611 0 CA-C-O 118.091 -0.957 . . . . 0.0 112.736 175.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 81.6 mtt85 -74.73 -12.55 60.44 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 115.541 1.682 . . . . 0.0 115.541 -178.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.82 -31.72 65.01 Favored 'General case' 0 CA--C 1.545 0.769 0 O-C-N 120.258 -1.526 . . . . 0.0 113.23 161.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 . . . . . 0 CA--C 1.543 0.706 0 C-N-CA 123.569 0.748 . . . . 0.0 112.788 176.383 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . 0.26 1.8 pt . . . . . 0 N--CA 1.481 1.081 0 CA-C-O 117.655 -1.164 . . . . 0.0 111.16 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -57.52 -62.59 1.67 Allowed 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 117.048 -1.453 . . . . 0.0 111.795 170.02 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -65.09 -31.54 72.79 Favored 'General case' 0 CA--C 1.549 0.905 0 CA-C-N 123.174 2.716 . . . . 0.0 115.269 -172.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -88.74 -52.69 4.99 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 122.541 2.428 . . . . 0.0 113.996 170.502 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.41 6.92 3.24 Favored 'General case' 0 CA--C 1.557 1.223 0 CA-C-N 122.54 2.427 . . . . 0.0 116.218 172.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.71 -48.6 30.86 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 118.046 -2.909 . . . . 0.0 113.351 152.115 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.5 ptpp? -80.9 60.61 4.19 Favored 'General case' 0 CA--C 1.551 0.983 0 CA-C-O 123.397 1.57 . . . . 0.0 112.432 -173.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -52.39 -23.5 6.09 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 116.567 2.062 . . . . 0.0 116.567 -179.422 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 59.3 tptt -57.75 -36.79 72.58 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 125.768 1.627 . . . . 0.0 113.22 165.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -85.16 75.73 10.28 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-O 125.486 2.565 . . . . 0.0 110.525 175.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.68 -49.15 71.32 Favored 'General case' 0 CA--C 1.531 0.241 1 CA-C-N 107.86 -4.245 . . . . 0.0 114.804 -169.105 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 57.1 mtp -64.46 -35.3 80.5 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.647 0.779 . . . . 0.0 112.699 177.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 77.1 mt -81.39 -44.66 17.22 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-N 118.86 0.754 . . . . 0.0 112.882 -173.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.98 -26.67 66.03 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 118.759 -1.176 . . . . 0.0 113.004 165.511 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.7 tmtm? -67.48 -35.68 79.65 Favored 'General case' 0 CA--C 1.55 0.953 0 CA-C-N 122.021 2.191 . . . . 0.0 111.269 166.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 75.1 m -54.47 -42.38 70.59 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 122.255 2.298 . . . . 0.0 113.632 164.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -49.28 -55.83 11.43 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 122.908 0.483 . . . . 0.0 111.467 164.012 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.3 6.8 m-30 -73.22 -24.44 60.5 Favored 'General case' 0 CA--C 1.556 1.187 0 N-CA-C 114.155 1.168 . . . . 0.0 114.155 -173.496 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -60.26 -36.55 78.03 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.296 1.038 . . . . 0.0 113.381 160.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.95 -39.83 63.59 Favored Glycine 0 CA--C 1.532 1.109 0 CA-C-N 119.139 0.882 . . . . 0.0 115.016 167.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.52 -42.56 99.0 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 114.466 1.284 . . . . 0.0 114.466 177.11 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -73.46 66.8 1.0 Allowed 'General case' 0 CA--C 1.555 1.17 0 CA-C-N 120.183 1.356 . . . . 0.0 114.497 175.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 -71.39 54.48 0.21 Allowed 'General case' 0 CA--C 1.554 1.133 0 N-CA-C 117.485 2.402 . . . . 0.0 117.485 -178.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -69.41 -24.7 63.88 Favored 'General case' 0 CA--C 1.552 1.023 0 N-CA-C 115.545 1.684 . . . . 0.0 115.545 -176.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -72.22 -25.0 61.48 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 121.771 2.078 . . . . 0.0 114.46 175.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 58.51 -18.38 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 119.411 3.115 . . . . 0.0 119.411 -177.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.31 -113.84 0.0 OUTLIER 'General case' 0 CA--C 1.555 1.154 0 CA-C-N 122.996 2.634 . . . . 0.0 114.393 169.651 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 67.6 p -103.62 138.64 40.01 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 117.368 -3.332 . . . . 0.0 113.112 -178.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 41.0 t -64.12 -41.22 97.32 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 115.129 -0.941 . . . . 0.0 112.344 169.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.8 mp0 -69.02 -29.87 68.13 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 115.326 1.602 . . . . 0.0 115.326 -174.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -68.8 -52.1 33.82 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 122.981 2.628 . . . . 0.0 110.716 172.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.577 ' O ' HD13 ' A' ' 41' ' ' ILE . 20.1 ttt180 -46.16 -56.5 5.58 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.811 1.644 . . . . 0.0 111.936 168.045 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -84.61 -0.04 51.85 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 117.549 2.426 . . . . 0.0 117.549 176.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.44 -30.37 68.28 Favored 'General case' 0 CA--C 1.543 0.687 0 O-C-N 119.225 -2.172 . . . . 0.0 112.448 151.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 29.6 mmt180 -74.06 -42.49 60.14 Favored 'General case' 0 CA--C 1.55 0.976 0 N-CA-C 113.048 0.758 . . . . 0.0 113.048 168.362 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.577 HD13 ' O ' ' A' ' 37' ' ' ARG 0.297 3.5 mp -71.76 86.19 0.35 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.888 0 CA-C-O 127.12 3.343 . . . . 0.0 113.259 169.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.6 tppt? -86.25 -7.87 58.19 Favored 'General case' 0 CA--C 1.548 0.872 1 CA-C-N 106.912 -4.676 . . . . 0.0 115.684 -171.562 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 48.4 mm -58.72 -42.44 85.25 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.838 0 N-CA-C 115.691 1.737 . . . . 0.0 115.691 -158.052 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -175.48 161.82 30.97 Favored Glycine 0 CA--C 1.545 1.931 0 CA-C-O 117.712 -1.604 . . . . 0.0 115.822 176.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_exo -51.59 -50.92 12.39 Favored 'Trans proline' 0 C--N 1.362 1.246 1 C-N-CA 125.315 4.01 . . . . 0.0 116.288 178.659 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 45.0 mttm -63.92 -28.38 69.79 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 113.854 1.057 . . . . 0.0 113.854 172.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 38.8 t -68.53 -58.33 4.46 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-O 117.495 -1.241 . . . . 0.0 111.067 173.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -51.99 -41.23 31.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 CA-C-N 120.404 1.456 . . . . 0.0 114.892 171.134 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.1 mmpt? -63.19 -48.75 77.03 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 115.706 1.743 . . . . 0.0 115.706 172.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.33 -50.09 65.72 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 119.55 1.068 . . . . 0.0 110.789 169.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.428 ' CE2' HD11 ' A' ' 41' ' ' ILE . 2.4 t80 -55.35 -58.37 7.99 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.095 1.358 . . . . 0.0 112.443 177.538 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 20.6 tttm -63.58 -39.75 95.18 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.752 0.821 . . . . 0.0 112.957 -175.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -77.77 -36.2 50.81 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 120.828 -1.17 . . . . 0.0 114.119 178.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.2 m -58.27 -38.11 76.29 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-O 117.728 -1.13 . . . . 0.0 113.887 160.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 25.7 m -56.1 -44.54 79.17 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 121.227 1.83 . . . . 0.0 113.864 166.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 18.6 m-30 -59.93 -40.76 90.02 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 119.647 1.112 . . . . 0.0 113.252 172.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 27.1 mm -60.6 -50.78 79.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 CA-C-N 118.955 0.798 . . . . 0.0 112.726 169.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.38 -43.3 79.09 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 113.895 1.072 . . . . 0.0 113.895 174.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -64.93 -37.51 87.87 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 174.048 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 71.0 tp60 -62.83 -45.84 90.73 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 119.08 0.854 . . . . 0.0 112.496 169.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 69.0 t -60.34 -54.92 28.26 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.735 0 CA-C-O 117.691 -1.147 . . . . 0.0 113.189 175.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 16.7 ptt180 -64.51 -25.41 67.98 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 120.913 1.688 . . . . 0.0 114.799 -178.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.66 -30.02 68.63 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 113.51 0.93 . . . . 0.0 113.51 170.157 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 . . . . . 0 CA--C 1.542 0.656 0 C-N-CA 123.534 0.734 . . . . 0.0 112.192 172.276 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.5 mt . . . . . 0 N--CA 1.483 1.223 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -59.68 -39.79 85.7 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-O 117.607 -1.187 . . . . 0.0 112.826 178.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -63.91 -38.63 91.81 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 122.355 2.343 . . . . 0.0 115.121 171.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -83.46 -46.81 12.07 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 121.362 1.892 . . . . 0.0 113.258 175.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.19 4.64 5.37 Favored 'General case' 0 CA--C 1.555 1.145 0 N-CA-C 116.24 1.941 . . . . 0.0 116.24 166.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.88 -37.8 73.04 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 118.202 -2.811 . . . . 0.0 112.597 148.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 51.6 mttp -77.67 60.33 2.17 Favored 'General case' 0 CA--C 1.547 0.863 0 CA-C-O 122.812 1.292 . . . . 0.0 111.963 -175.267 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -65.38 -19.96 66.18 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 113.657 0.984 . . . . 0.0 113.657 172.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -64.08 -42.93 96.78 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 124.674 1.189 . . . . 0.0 112.225 163.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 -93.1 69.48 4.43 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-O 126.196 2.903 . . . . 0.0 110.097 177.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.9 -37.83 69.41 Favored 'General case' 0 CA--C 1.533 0.317 1 CA-C-N 107.382 -4.463 . . . . 0.0 114.517 -171.54 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 60.7 mtp -62.46 -37.09 84.57 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.117 0.967 . . . . 0.0 113.461 175.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 74.2 mt -85.48 -42.75 14.18 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 123.268 0.627 . . . . 0.0 112.079 -175.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.0 tmtt? -62.34 -36.87 83.57 Favored 'General case' 0 CA--C 1.554 1.103 0 CA-C-O 117.54 -1.219 . . . . 0.0 114.12 163.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.58 -25.6 63.14 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 123.882 3.037 . . . . 0.0 110.969 170.825 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.5 t -61.43 -39.46 90.86 Favored 'General case' 0 CA--C 1.552 1.035 0 CA-C-N 121.667 2.03 . . . . 0.0 112.98 166.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.3 t -49.07 -57.26 6.88 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.175 0.59 . . . . 0.0 110.971 159.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.296 6.0 m-30 -72.43 -19.19 61.63 Favored 'General case' 0 CA--C 1.557 1.239 0 N-CA-C 114.458 1.281 . . . . 0.0 114.458 -173.738 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -59.47 -47.73 84.37 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.463 1.105 . . . . 0.0 112.89 156.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.76 -37.77 92.91 Favored Glycine 0 N--CA 1.472 1.096 0 N-CA-C 115.124 0.81 . . . . 0.0 115.124 171.092 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.44 -47.05 80.55 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 118.063 0.932 . . . . 0.0 112.928 171.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -77.15 61.33 2.05 Favored 'General case' 0 CA--C 1.551 1.014 0 CA-C-O 122.829 1.299 . . . . 0.0 113.741 173.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 37.0 ttp180 -88.36 47.64 1.53 Allowed 'General case' 0 CA--C 1.553 1.074 0 CA-C-O 122.62 1.2 . . . . 0.0 112.269 178.027 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.97 -20.68 66.28 Favored 'General case' 0 CA--C 1.55 0.978 0 O-C-N 120.667 -1.27 . . . . 0.0 113.897 -172.348 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -65.27 -36.35 83.85 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 114.618 1.34 . . . . 0.0 114.618 168.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 50.28 39.49 20.15 Favored 'General case' 0 CA--C 1.551 1.015 0 N-CA-C 117.353 2.353 . . . . 0.0 117.353 -169.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -79.13 -171.11 2.51 Favored 'General case' 0 CA--C 1.555 1.143 0 O-C-N 119.999 -1.688 . . . . 0.0 112.235 162.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.0 p -75.35 115.85 15.45 Favored 'General case' 0 CA--C 1.542 0.665 0 O-C-N 119.197 -2.189 . . . . 0.0 110.932 168.181 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.3 p -62.65 -26.11 68.47 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 116.118 1.896 . . . . 0.0 116.118 -166.153 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.18 -25.18 65.11 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 113.536 0.939 . . . . 0.0 113.536 172.013 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -75.74 -45.91 33.89 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 120.773 1.624 . . . . 0.0 110.903 174.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.438 ' O ' HD13 ' A' ' 41' ' ' ILE . 67.0 ttt180 -57.19 -48.62 78.3 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.433 169.38 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . 0.296 . . -77.96 -10.04 59.39 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 117.369 2.359 . . . . 0.0 117.369 174.581 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.76 -34.76 78.6 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 121.205 1.82 . . . . 0.0 112.825 153.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.3 mpp_? -69.35 -43.19 74.14 Favored 'General case' 0 CA--C 1.552 1.045 0 N-CA-C 114.259 1.207 . . . . 0.0 114.259 165.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.438 HD13 ' O ' ' A' ' 37' ' ' ARG 0.26 2.4 mp -60.59 -56.11 19.95 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 N-CA-C 116.645 2.091 . . . . 0.0 116.645 169.66 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -11.05 68.56 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 130.626 3.57 . . . . 0.0 118.588 -173.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 65.3 mt -71.36 -42.36 73.8 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.738 0 CA-C-N 108.93 -3.759 . . . . 0.0 110.692 166.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -161.97 164.28 35.26 Favored Glycine 0 CA--C 1.545 1.966 0 N-CA-C 115.99 1.156 . . . . 0.0 115.99 179.092 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_exo -53.25 -46.77 31.45 Favored 'Trans proline' 0 C--N 1.361 1.2 0 C-N-CA 125.207 3.938 . . . . 0.0 115.669 174.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.0 mtpm? -64.02 -31.97 73.34 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 123.962 0.905 . . . . 0.0 113.193 174.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 21.6 t -66.11 -60.69 2.57 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-O 117.374 -1.298 . . . . 0.0 109.767 173.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -49.67 -39.29 14.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 CA-C-N 120.877 1.671 . . . . 0.0 115.105 171.405 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.5 tptp -64.68 -52.36 57.63 Favored 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 113.955 1.094 . . . . 0.0 113.955 173.065 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.38 -48.7 62.46 Favored 'General case' 0 CA--C 1.549 0.941 0 CA-C-N 120.02 1.282 . . . . 0.0 110.608 170.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.409 ' CE2' HD11 ' A' ' 41' ' ' ILE . 2.7 t80 -55.47 -52.53 63.32 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.83 1.252 . . . . 0.0 112.274 175.126 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 32.4 mmtt -60.82 -41.79 96.43 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 115.246 1.572 . . . . 0.0 115.246 178.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -68.97 -42.4 76.64 Favored 'General case' 0 CA--C 1.55 0.971 0 CA-C-O 121.773 0.797 . . . . 0.0 113.125 178.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 19.4 m -67.02 -29.3 69.08 Favored 'General case' 0 CA--C 1.555 1.159 0 N-CA-C 114.904 1.446 . . . . 0.0 114.904 166.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 45.7 t -58.8 -41.71 87.39 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-N 122.268 2.304 . . . . 0.0 112.647 165.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -54.86 -47.96 73.55 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-O 118.35 -0.833 . . . . 0.0 112.327 166.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 24.3 mm -57.03 -49.36 79.69 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.142 0 N-CA-C 114.98 1.474 . . . . 0.0 114.98 168.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.3 -43.56 71.22 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 113.723 1.009 . . . . 0.0 113.723 174.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -67.3 -36.49 81.62 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 113.512 0.931 . . . . 0.0 113.512 173.243 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -64.4 -42.66 95.97 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 120.205 1.366 . . . . 0.0 113.046 168.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 76.5 t -60.35 -39.1 79.92 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.77 0 CA-C-N 119.187 0.903 . . . . 0.0 112.455 172.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 23.0 mmt180 -68.95 -36.89 78.46 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 115.508 1.67 . . . . 0.0 115.508 167.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.93 -47.81 64.81 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 121.319 1.872 . . . . 0.0 113.51 171.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 . . . . . 0 CA--C 1.552 1.048 0 O-C-N 120.397 -1.439 . . . . 0.0 112.146 175.168 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.6 pt . . . . . 0 N--CA 1.484 1.247 0 CA-C-O 118.836 -0.602 . . . . 0.0 111.348 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -58.42 -56.39 22.79 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-O 116.482 -1.723 . . . . 0.0 111.035 171.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -58.43 -31.07 67.4 Favored 'General case' 0 CA--C 1.554 1.097 0 CA-C-N 123.913 3.051 . . . . 0.0 116.003 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -82.7 -62.86 1.49 Allowed 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 121.801 2.091 . . . . 0.0 111.941 173.403 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.52 4.57 1.32 Allowed 'General case' 0 CA--C 1.556 1.193 0 N-CA-C 117.422 2.379 . . . . 0.0 117.422 172.144 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.96 -34.17 26.51 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 123.54 2.882 . . . . 0.0 115.22 155.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 34.2 mtmm -62.74 -45.07 94.43 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 114.474 1.287 . . . . 0.0 114.474 -170.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER 62.19 -22.86 0.05 OUTLIER 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 118.61 2.819 . . . . 0.0 118.61 165.581 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.9 mttp -61.59 -40.3 94.3 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.028 1.331 . . . . 0.0 109.797 160.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -89.13 58.95 4.74 Favored 'General case' 0 CA--C 1.548 0.901 0 CA-C-O 123.707 1.718 . . . . 0.0 111.741 169.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.73 -39.52 94.35 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 112.73 -2.032 . . . . 0.0 114.225 -177.344 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 55.3 ttp -64.34 -30.47 71.51 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.613 1.165 . . . . 0.0 112.682 174.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 58.0 mt -87.19 -39.77 15.18 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 121.609 -0.682 . . . . 0.0 111.653 -178.109 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.34 -42.96 61.62 Favored 'General case' 0 CA--C 1.556 1.193 0 N-CA-C 115.122 1.527 . . . . 0.0 115.122 153.518 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.41 -34.24 77.31 Favored 'General case' 0 CA--C 1.553 1.082 0 O-C-N 118.855 -2.403 . . . . 0.0 111.253 171.117 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 8.7 t -61.81 -38.21 87.28 Favored 'General case' 0 CA--C 1.552 1.039 0 CA-C-N 120.526 1.512 . . . . 0.0 113.959 168.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 2.1 t -47.37 -54.88 10.04 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.565 0.746 . . . . 0.0 110.353 158.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.427 ' O ' ' HD2' ' A' ' 27' ' ' TYR 0.295 6.5 m-30 -72.38 -20.35 61.46 Favored 'General case' 0 CA--C 1.553 1.062 0 N-CA-C 114.512 1.301 . . . . 0.0 114.512 -174.822 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -58.92 -46.85 86.94 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 119.414 1.006 . . . . 0.0 113.241 156.269 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.07 -40.88 99.14 Favored Glycine 0 CA--C 1.535 1.314 0 N-CA-C 115.2 0.84 . . . . 0.0 115.2 170.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.43 -41.81 93.13 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 113.732 1.012 . . . . 0.0 113.732 174.3 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.427 ' HD2' ' O ' ' A' ' 23' ' ' TYR . 51.7 m-85 -71.52 72.47 0.72 Allowed 'General case' 0 CA--C 1.549 0.932 0 CA-C-O 123.707 1.717 . . . . 0.0 113.243 170.846 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 58.6 ttt85 -83.05 113.52 20.65 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-N 113.587 -1.642 . . . . 0.0 112.394 172.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 12.5 p30 -85.87 -112.02 0.04 OUTLIER 'General case' 0 CA--C 1.553 1.08 0 N-CA-C 113.754 1.02 . . . . 0.0 113.754 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -78.26 44.68 0.51 Allowed 'General case' 0 CA--C 1.554 1.101 0 CA-C-N 122.726 2.512 . . . . 0.0 115.391 -174.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 51.7 60.11 4.08 Favored 'General case' 0 CA--C 1.552 1.054 0 N-CA-C 116.818 2.155 . . . . 0.0 116.818 -177.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -71.99 154.53 41.11 Favored 'General case' 0 CA--C 1.554 1.118 0 N-CA-C 115.343 1.609 . . . . 0.0 115.343 178.362 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 32.1 m -78.99 109.83 13.65 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 120.311 -1.493 . . . . 0.0 110.747 173.151 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 54.1 m -59.34 -42.86 92.47 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 116.649 2.092 . . . . 0.0 116.649 -163.443 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -77.82 -19.2 55.36 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 120.342 1.428 . . . . 0.0 114.121 177.421 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.0 tm-20 -75.03 -48.4 24.24 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 120.479 1.49 . . . . 0.0 109.851 167.223 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.526 ' O ' HD13 ' A' ' 41' ' ' ILE . 20.6 ttt180 -53.04 -49.99 65.18 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.93 1.292 . . . . 0.0 111.619 171.165 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -91.57 11.31 24.64 Favored 'General case' 0 CA--C 1.55 0.973 0 N-CA-C 116.699 2.111 . . . . 0.0 116.699 173.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.14 -34.1 65.89 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 119.015 -2.303 . . . . 0.0 112.192 144.525 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 28.2 mmt180 -69.28 -47.23 65.18 Favored 'General case' 0 CA--C 1.55 0.979 0 O-C-N 121.654 -0.654 . . . . 0.0 111.847 169.543 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.526 HD13 ' O ' ' A' ' 37' ' ' ARG . 3.4 mp -70.46 83.76 0.23 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.945 0 CA-C-O 127.224 3.393 . . . . 0.0 112.49 165.045 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.76 -4.79 58.87 Favored 'General case' 0 CA--C 1.548 0.892 1 CA-C-N 107.001 -4.636 . . . . 0.0 115.215 -169.62 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 63.1 mt -61.38 -36.97 76.49 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.949 0 N-CA-C 114.898 1.444 . . . . 0.0 114.898 -160.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -173.31 162.25 33.37 Favored Glycine 0 CA--C 1.547 2.034 0 CA-C-N 120.606 1.548 . . . . 0.0 116.568 174.362 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_exo -53.17 -48.67 20.82 Favored 'Trans proline' 0 C--N 1.361 1.229 0 C-N-CA 125.138 3.892 . . . . 0.0 115.52 173.495 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 32.5 mmtt -66.44 -25.34 66.7 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 114.038 1.125 . . . . 0.0 114.038 172.551 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 11.1 t -67.22 -60.2 2.8 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 117.232 -1.366 . . . . 0.0 109.266 171.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -48.7 -42.72 13.34 Favored 'Isoleucine or valine' 0 C--N 1.353 0.741 0 CA-C-N 120.734 1.607 . . . . 0.0 114.993 170.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.63 -54.25 45.38 Favored 'General case' 0 CA--C 1.555 1.151 0 N-CA-C 114.771 1.397 . . . . 0.0 114.771 175.062 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.21 -47.12 72.47 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.772 1.229 . . . . 0.0 110.848 169.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.447 ' CE2' HD11 ' A' ' 41' ' ' ILE . 4.0 t80 -55.5 -53.41 56.71 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.385 1.474 . . . . 0.0 112.699 176.594 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 52.2 tptt -64.47 -37.7 88.45 Favored 'General case' 0 CA--C 1.55 0.952 0 CA-C-N 118.962 0.801 . . . . 0.0 113.046 179.296 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -61.91 -50.52 71.84 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 119.838 1.199 . . . . 0.0 113.328 172.3 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 2.7 m -60.43 -30.99 69.98 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 115.237 1.569 . . . . 0.0 115.237 168.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 53.9 t -58.33 -44.85 88.87 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 122.034 2.197 . . . . 0.0 112.622 165.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -57.83 -41.51 82.43 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 113.939 1.089 . . . . 0.0 113.939 169.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.0 mp -64.77 -42.83 96.04 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 N-CA-C 114.859 1.429 . . . . 0.0 114.859 168.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.1 -44.89 79.5 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 123.938 0.895 . . . . 0.0 112.984 171.42 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -61.9 -42.54 99.19 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.106 0.962 . . . . 0.0 113.305 169.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -60.03 -54.16 49.29 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-O 118.164 -0.922 . . . . 0.0 113.347 172.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 4.5 p -68.61 -22.87 27.28 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.959 0 CA-C-N 120.362 1.437 . . . . 0.0 113.47 179.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.45 -45.3 94.84 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 120.886 -1.134 . . . . 0.0 112.658 166.064 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -84.65 -53.74 5.18 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 114.01 1.115 . . . . 0.0 114.01 177.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 . . . . . 0 CA--C 1.548 0.884 0 CA-C-O 123.383 1.563 . . . . 0.0 112.52 -175.275 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.7 mp . . . . . 0 N--CA 1.486 1.357 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -60.71 -50.19 74.5 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 115.155 -2.355 . . . . 0.0 113.815 -178.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . 0.267 0.1 OUTLIER -71.66 -17.55 62.24 Favored 'General case' 0 CA--C 1.545 0.762 1 CA-C-N 126.004 4.002 . . . . 0.0 114.516 175.606 . . . . . . . . 4 3 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -78.91 -67.13 0.78 Allowed 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 122.216 2.28 . . . . 0.0 112.146 164.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.35 -6.66 31.22 Favored 'General case' 0 CA--C 1.551 0.999 0 N-CA-C 118.448 2.758 . . . . 0.0 118.448 178.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.62 -46.14 19.96 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 124.941 3.519 . . . . 0.0 112.199 156.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 46.5 mmtm -85.0 68.35 10.53 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-O 123.3 1.524 . . . . 0.0 111.0 -175.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -52.58 -10.61 0.16 Allowed 'General case' 0 CA--C 1.55 0.961 0 N-CA-C 116.451 2.019 . . . . 0.0 116.451 175.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -59.98 -31.0 69.5 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.476 1.11 . . . . 0.0 112.81 161.38 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 16.8 m-30 -82.79 59.04 4.59 Favored 'General case' 0 CA--C 1.549 0.941 0 CA-C-O 122.901 1.334 . . . . 0.0 110.361 172.155 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.23 -51.69 67.18 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 115.885 1.809 . . . . 0.0 115.885 -164.564 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 34.7 ttm -66.99 -32.71 74.12 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.418 1.087 . . . . 0.0 112.671 176.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 69.4 mt -82.37 -37.79 25.11 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.482 0.713 . . . . 0.0 112.524 -175.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -69.59 -29.45 66.99 Favored 'General case' 0 CA--C 1.546 0.804 0 O-C-N 120.742 -1.224 . . . . 0.0 112.084 164.441 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 47.5 tttm -65.76 -33.84 76.8 Favored 'General case' 0 CA--C 1.551 0.992 0 CA-C-N 121.784 2.084 . . . . 0.0 111.176 166.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.2 t -60.63 -40.54 92.31 Favored 'General case' 0 CA--C 1.553 1.072 0 CA-C-N 120.391 1.45 . . . . 0.0 113.229 167.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -48.77 -55.98 9.95 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.772 0.829 . . . . 0.0 111.58 160.376 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.281 10.0 m-30 -73.64 -22.43 59.99 Favored 'General case' 0 CA--C 1.551 0.994 0 N-CA-C 115.004 1.483 . . . . 0.0 115.004 -173.308 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -58.04 -49.25 77.52 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.607 1.163 . . . . 0.0 111.025 158.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.19 -33.63 87.43 Favored Glycine 0 CA--C 1.534 1.254 0 N-CA-C 116.199 1.24 . . . . 0.0 116.199 171.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.01 -38.59 89.21 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 118.84 1.32 . . . . 0.0 112.66 169.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -72.18 74.71 0.96 Allowed 'General case' 0 CA--C 1.556 1.204 0 CA-C-O 122.837 1.304 . . . . 0.0 111.482 164.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.88 129.54 36.35 Favored 'General case' 0 CA--C 1.549 0.91 0 O-C-N 120.381 -1.45 . . . . 0.0 113.173 176.468 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -86.87 140.36 29.73 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 123.987 0.915 . . . . 0.0 112.762 -178.286 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -64.77 -29.62 70.6 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 115.07 1.507 . . . . 0.0 115.07 176.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -92.2 -59.3 2.13 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.071 0.948 . . . . 0.0 111.82 -172.254 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -77.15 157.6 30.88 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-O 122.536 1.16 . . . . 0.0 113.932 173.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.7 t -95.91 156.67 16.23 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 121.063 -1.023 . . . . 0.0 111.003 159.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 90.4 m -58.53 -37.92 76.65 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 115.269 1.581 . . . . 0.0 115.269 -166.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.5 mp0 -68.41 -48.12 65.47 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.645 1.178 . . . . 0.0 114.116 -169.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.2 mp0 -67.23 -43.87 80.91 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.134 0.974 . . . . 0.0 112.666 176.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.487 ' O ' HD13 ' A' ' 41' ' ' ILE . 41.3 ttt180 -56.45 -48.53 76.86 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 114.933 -1.031 . . . . 0.0 111.715 169.308 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -76.97 -18.02 58.51 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 117.479 2.4 . . . . 0.0 117.479 175.369 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.99 -31.52 71.89 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-N 120.784 1.629 . . . . 0.0 112.882 158.502 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 43.2 ttp180 -74.27 -45.58 46.87 Favored 'General case' 0 CA--C 1.556 1.173 0 CA-C-O 117.511 -1.233 . . . . 0.0 113.897 165.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.487 HD13 ' O ' ' A' ' 37' ' ' ARG . 2.0 mp -54.57 -52.82 36.97 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.195 0 CA-C-N 122.521 2.419 . . . . 0.0 115.928 168.016 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.8 ttpm? -9.47 69.89 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 130.518 3.527 . . . . 0.0 118.138 177.528 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 41' ' ' ILE . 66.8 mt -73.52 -42.1 56.05 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.676 1 CA-C-N 108.045 -4.161 . . . . 0.0 110.039 163.177 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -157.14 158.93 29.29 Favored Glycine 0 CA--C 1.545 1.959 0 CA-C-O 118.194 -1.337 . . . . 0.0 115.339 178.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -52.19 -44.58 45.09 Favored 'Trans proline' 0 C--N 1.361 1.188 0 C-N-CA 125.065 3.843 . . . . 0.0 115.55 172.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 28.9 tttm -66.83 -30.81 71.09 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 123.966 0.906 . . . . 0.0 112.255 176.418 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 35.8 t -66.64 -60.93 2.27 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-O 117.294 -1.336 . . . . 0.0 110.107 172.269 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -48.29 -39.85 9.64 Favored 'Isoleucine or valine' 0 C--N 1.353 0.752 0 CA-C-N 120.954 1.707 . . . . 0.0 114.85 172.245 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.4 tptp -70.76 -46.38 63.06 Favored 'General case' 0 CA--C 1.554 1.124 0 CA-C-O 117.092 -1.433 . . . . 0.0 114.656 174.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -49.42 -49.21 45.99 Favored 'General case' 0 N--CA 1.485 1.294 0 CA-C-N 122.689 2.495 . . . . 0.0 110.539 164.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.423 ' CE2' HD11 ' A' ' 41' ' ' ILE . 3.3 t80 -55.76 -57.5 11.77 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.24 1.416 . . . . 0.0 112.658 176.223 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 54.2 tptt -62.52 -37.67 86.98 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 113.799 1.037 . . . . 0.0 113.799 -179.392 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -73.99 -38.52 64.1 Favored 'General case' 0 CA--C 1.547 0.848 0 O-C-N 120.6 -1.312 . . . . 0.0 113.764 176.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.6 m -63.77 -32.68 74.26 Favored 'General case' 0 CA--C 1.549 0.935 0 O-C-N 120.632 -1.292 . . . . 0.0 114.35 163.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 50.3 t -58.79 -40.69 84.76 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-N 120.785 1.63 . . . . 0.0 112.955 166.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -56.44 -47.97 78.01 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-O 117.677 -1.154 . . . . 0.0 112.63 166.574 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 34.9 mm -56.2 -51.4 63.26 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 CA-C-N 120.477 1.489 . . . . 0.0 113.72 169.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.43 -48.21 74.77 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 114.313 1.227 . . . . 0.0 114.313 177.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 66.8 m-80 -70.23 -30.41 67.48 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 114.033 1.123 . . . . 0.0 114.033 174.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -62.4 -48.62 78.93 Favored 'General case' 0 CA--C 1.547 0.847 0 CA-C-N 119.623 1.101 . . . . 0.0 112.195 167.125 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 97.0 t -63.5 -34.49 67.79 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.892 0 C-N-CA 123.88 0.872 . . . . 0.0 112.749 173.077 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -62.22 -55.72 25.71 Favored 'General case' 0 CA--C 1.547 0.863 0 O-C-N 120.834 -1.166 . . . . 0.0 112.489 168.049 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.99 -21.39 66.84 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 115.234 1.568 . . . . 0.0 115.234 179.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 . . . . . 0 CA--C 1.55 0.951 0 N-CA-C 113.998 1.11 . . . . 0.0 113.998 165.941 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.7 mp . . . . . 0 N--CA 1.485 1.293 0 CA-C-O 118.698 -0.668 . . . . 0.0 110.377 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -53.76 -58.06 8.61 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-O 117.304 -1.332 . . . . 0.0 111.253 173.489 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -71.45 -7.83 49.94 Favored 'General case' 0 CA--C 1.555 1.147 0 CA-C-N 123.541 2.882 . . . . 0.0 115.124 -175.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -86.85 -69.41 0.68 Allowed 'General case' 0 CA--C 1.548 0.882 0 O-C-N 119.555 -1.966 . . . . 0.0 111.792 156.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.46 0.95 5.67 Favored 'General case' 0 CA--C 1.557 1.22 0 N-CA-C 118.622 2.823 . . . . 0.0 118.622 -178.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.39 -35.3 27.83 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 117.569 -3.207 . . . . 0.0 113.734 159.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 39.8 mmtm -72.12 -41.63 67.0 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 114.513 1.301 . . . . 0.0 114.513 -171.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 62.09 -26.96 0.06 Allowed 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 117.467 2.395 . . . . 0.0 117.467 173.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.3 mtmm -60.06 -36.78 78.09 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.885 1.674 . . . . 0.0 112.514 166.059 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -77.01 62.33 2.13 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-O 123.156 1.455 . . . . 0.0 111.739 167.193 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.15 -50.8 72.64 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 112.825 -1.989 . . . . 0.0 115.432 -167.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 32.6 ttm -65.64 -29.82 70.44 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.938 0.895 . . . . 0.0 112.494 177.124 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 56.3 mt -85.52 -41.69 15.09 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.787 0.835 . . . . 0.0 112.097 -174.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.62 -28.2 69.46 Favored 'General case' 0 CA--C 1.548 0.894 0 O-C-N 120.338 -1.476 . . . . 0.0 112.626 162.295 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.4 tmtm? -65.7 -36.82 84.73 Favored 'General case' 0 CA--C 1.552 1.025 0 CA-C-N 121.786 2.085 . . . . 0.0 111.56 166.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 97.3 m -54.34 -41.98 69.71 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 121.838 2.108 . . . . 0.0 114.022 164.434 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -50.01 -54.46 20.0 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.243 0.617 . . . . 0.0 111.594 164.042 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.264 5.7 m-30 -73.47 -21.43 60.44 Favored 'General case' 0 CA--C 1.55 0.972 0 N-CA-C 113.858 1.059 . . . . 0.0 113.858 -175.225 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -60.59 -43.4 97.43 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 119.15 0.886 . . . . 0.0 113.123 159.225 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.15 -40.92 95.14 Favored Glycine 0 CA--C 1.535 1.335 0 CA-C-O 119.088 -0.84 . . . . 0.0 115.141 171.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.49 -48.48 69.69 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 118.609 1.205 . . . . 0.0 113.763 175.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -80.32 55.46 2.24 Favored 'General case' 0 CA--C 1.549 0.933 0 CA-C-O 122.999 1.38 . . . . 0.0 112.494 174.505 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 58.7 ttp180 -75.02 120.05 20.02 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 114.989 -1.005 . . . . 0.0 112.174 178.27 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 21.1 m120 -68.86 101.53 1.37 Allowed 'General case' 0 CA--C 1.546 0.805 0 CA-C-O 121.898 0.856 . . . . 0.0 110.607 163.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -69.25 64.06 0.15 Allowed 'General case' 0 CA--C 1.548 0.873 0 CA-C-O 123.638 1.685 . . . . 0.0 115.135 -172.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -123.94 -73.43 0.64 Allowed 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 113.531 -1.668 . . . . 0.0 111.694 173.379 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 52.6 tt0 -75.2 152.47 38.37 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 124.421 1.089 . . . . 0.0 113.391 168.011 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.1 p -74.57 141.66 44.75 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 121.052 -1.03 . . . . 0.0 113.084 172.188 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 31.5 p -64.54 -31.03 72.08 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 116.004 1.853 . . . . 0.0 116.004 -164.556 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -69.03 -28.84 66.93 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 114.731 1.382 . . . . 0.0 114.731 179.379 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.1 mp0 -72.24 -45.48 60.04 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 120.383 1.447 . . . . 0.0 111.671 172.484 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.524 ' O ' HD13 ' A' ' 41' ' ' ILE . 35.9 ttm180 -60.52 -47.89 84.16 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 113.764 -1.562 . . . . 0.0 111.355 173.14 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -80.08 -2.46 44.48 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 116.604 2.076 . . . . 0.0 116.604 171.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.68 -30.14 67.74 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 119.407 -2.058 . . . . 0.0 112.66 151.345 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -75.17 -39.21 60.47 Favored 'General case' 0 CA--C 1.549 0.92 0 O-C-N 120.362 -1.461 . . . . 0.0 114.715 162.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.524 HD13 ' O ' ' A' ' 37' ' ' ARG 0.305 3.2 mp -69.81 82.4 0.18 Allowed 'Isoleucine or valine' 0 CA--C 1.552 1.037 0 CA-C-O 127.105 3.336 . . . . 0.0 113.705 168.379 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 55.2 mttp -95.38 16.83 15.81 Favored 'General case' 0 CA--C 1.547 0.831 1 CA-C-N 107.646 -4.343 . . . . 0.0 115.652 -176.53 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 82.5 mt -64.41 -36.85 78.41 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.917 0 CA-C-N 119.803 1.183 . . . . 0.0 113.249 -172.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -178.58 163.1 30.75 Favored Glycine 0 CA--C 1.545 1.909 0 CA-C-O 118.28 -1.289 . . . . 0.0 115.452 171.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo -52.51 -44.94 43.35 Favored 'Trans proline' 0 C--N 1.36 1.177 0 C-N-CA 124.983 3.789 . . . . 0.0 115.489 172.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 51.0 tttm -68.81 -27.86 66.24 Favored 'General case' 0 CA--C 1.55 0.981 0 C-N-CA 124.235 1.014 . . . . 0.0 112.413 176.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 37.9 t -68.56 -56.71 7.39 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-O 117.332 -1.318 . . . . 0.0 111.685 170.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -52.11 -38.72 24.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 CA-C-N 121.244 1.838 . . . . 0.0 115.213 170.18 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 58.3 tttm -55.06 -59.71 4.38 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 123.75 0.82 . . . . 0.0 113.147 168.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.33 -48.85 65.23 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 124.4 1.08 . . . . 0.0 111.786 172.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.43 ' CE2' HD11 ' A' ' 41' ' ' ILE . 2.5 t80 -57.06 -54.2 49.45 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.957 1.303 . . . . 0.0 112.807 177.308 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.439 ' O ' ' HD1' ' A' ' 56' ' ' TYR . 12.0 mmtt -64.51 -41.3 96.5 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 -179.417 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -65.97 -43.66 87.2 Favored 'General case' 0 CA--C 1.547 0.848 0 O-C-N 121.686 -0.634 . . . . 0.0 112.641 175.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 6.8 m -66.79 -25.75 66.61 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 115.585 1.698 . . . . 0.0 115.585 167.118 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 41.9 t -60.32 -38.21 82.99 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 122.542 2.428 . . . . 0.0 112.01 163.257 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.439 ' HD1' ' O ' ' A' ' 52' ' ' LYS . 36.5 m-85 -61.03 -41.69 97.05 Favored 'General case' 0 CA--C 1.546 0.804 0 O-C-N 121.05 -1.032 . . . . 0.0 113.239 166.447 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 25.2 mm -58.44 -45.28 89.94 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 CA-C-N 120.509 1.504 . . . . 0.0 114.269 166.512 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.534 ' O ' ' HG2' ' A' ' 62' ' ' ARG . . . -51.18 -50.45 58.98 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.17 0.588 . . . . 0.0 112.126 172.604 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -61.21 -45.62 93.8 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 172.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -57.91 -42.43 84.69 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 124.685 1.194 . . . . 0.0 112.93 174.471 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 78.5 t -66.78 -53.02 38.76 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 CA-C-O 117.275 -1.345 . . . . 0.0 112.593 170.371 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.534 ' HG2' ' O ' ' A' ' 58' ' ' ALA . 68.6 mmt-85 -64.51 -27.88 69.28 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 121.633 2.015 . . . . 0.0 114.364 -177.246 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.31 -28.74 66.52 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 119.632 1.105 . . . . 0.0 113.907 168.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 . . . . . 0 CA--C 1.546 0.819 0 C-N-CA 123.96 0.904 . . . . 0.0 112.209 175.601 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 10.6 mt . . . . . 0 N--CA 1.487 1.383 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -59.55 -63.17 1.4 Allowed 'General case' 0 C--O 1.218 -0.598 0 CA-C-O 116.599 -1.667 . . . . 0.0 111.236 172.216 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -63.05 -24.41 67.9 Favored 'General case' 0 CA--C 1.556 1.205 0 CA-C-N 124.906 3.503 . . . . 0.0 115.001 -175.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -83.58 -62.81 1.48 Allowed 'General case' 0 CA--C 1.547 0.847 0 O-C-N 119.609 -1.932 . . . . 0.0 111.957 169.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -79.61 17.69 0.85 Allowed 'General case' 0 CA--C 1.558 1.263 0 N-CA-C 118.571 2.804 . . . . 0.0 118.571 172.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -84.57 -53.9 5.09 Favored 'General case' 0 N--CA 1.473 0.719 0 O-C-N 117.439 -3.288 . . . . 0.0 114.893 159.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.7 mttp -70.93 -27.92 64.12 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 114.467 1.284 . . . . 0.0 114.467 -166.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 61.46 -14.84 0.04 OUTLIER 'General case' 0 CA--C 1.552 1.023 0 N-CA-C 117.344 2.35 . . . . 0.0 117.344 171.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -55.26 -51.31 67.05 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.957 1.703 . . . . 0.0 112.991 169.367 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -80.43 66.63 6.0 Favored 'General case' 0 CA--C 1.552 1.032 0 CA-C-O 125.188 2.423 . . . . 0.0 112.07 167.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.68 -39.98 78.38 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 109.716 -3.402 . . . . 0.0 115.184 -174.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 59.1 mtp -66.17 -31.82 72.89 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 176.458 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 69.0 mt -85.88 -41.96 14.53 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.665 0.786 . . . . 0.0 111.843 -176.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.6 tmtt? -56.16 -39.03 71.71 Favored 'General case' 0 CA--C 1.556 1.199 0 N-CA-C 114.554 1.316 . . . . 0.0 114.554 156.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.7 tmtm? -66.72 -31.41 72.04 Favored 'General case' 0 CA--C 1.551 0.983 0 O-C-N 118.752 -2.468 . . . . 0.0 111.767 172.467 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.1 t -62.95 -37.3 86.51 Favored 'General case' 0 CA--C 1.553 1.089 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 166.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.3 t -46.85 -55.49 7.88 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 118.972 0.805 . . . . 0.0 110.503 158.234 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.319 5.8 m-30 -71.09 -23.18 62.07 Favored 'General case' 0 CA--C 1.556 1.202 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 -175.042 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -56.66 -44.57 81.51 Favored 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 114.63 1.344 . . . . 0.0 114.63 157.389 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.9 -45.41 93.67 Favored Glycine 0 CA--C 1.534 1.275 0 CA-C-O 119.678 -0.512 . . . . 0.0 114.227 168.057 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.17 -50.58 67.59 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 115.035 1.494 . . . . 0.0 115.035 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . 0.348 2.2 p90 -76.76 63.93 2.25 Favored 'General case' 0 CA--C 1.554 1.104 0 CA-C-N 122.901 2.591 . . . . 0.0 114.466 177.765 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 54.8 ttt-85 -92.19 131.9 37.07 Favored 'General case' 0 CA--C 1.549 0.926 0 O-C-N 121.276 -0.89 . . . . 0.0 113.058 177.006 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -105.17 143.69 33.0 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 123.758 0.823 . . . . 0.0 112.095 168.172 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -72.46 69.44 0.84 Allowed 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 115.859 1.8 . . . . 0.0 115.859 -174.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -136.61 -65.11 0.57 Allowed 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 112.557 -2.11 . . . . 0.0 111.906 168.578 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -71.98 161.61 30.67 Favored 'General case' 0 CA--C 1.551 1.008 0 N-CA-C 114.436 1.273 . . . . 0.0 114.436 171.325 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 13.5 t -112.64 148.94 33.56 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 119.933 -1.729 . . . . 0.0 111.982 170.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 41.5 t -55.72 -50.95 68.96 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 114.916 1.45 . . . . 0.0 114.916 -162.371 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -76.72 -23.46 53.09 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 113.794 1.035 . . . . 0.0 113.794 -177.747 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -72.39 -49.35 34.55 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.0 0.92 . . . . 0.0 110.888 167.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.554 ' O ' HD13 ' A' ' 41' ' ' ILE . 29.3 ttp85 -57.33 -47.32 81.88 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.258 172.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -88.24 5.81 39.87 Favored 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 117.202 2.297 . . . . 0.0 117.202 173.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.23 -35.62 73.98 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 119.176 -2.203 . . . . 0.0 111.895 147.055 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 32.9 mtp180 -71.07 -43.01 68.63 Favored 'General case' 0 CA--C 1.552 1.023 0 N-CA-C 114.101 1.149 . . . . 0.0 114.101 169.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.554 HD13 ' O ' ' A' ' 37' ' ' ARG 0.262 3.4 mp -70.58 87.29 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.961 0 CA-C-O 126.833 3.206 . . . . 0.0 113.153 165.472 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 33.9 mtmm -86.51 -6.56 58.86 Favored 'General case' 0 CA--C 1.544 0.719 1 CA-C-N 107.565 -4.379 . . . . 0.0 116.34 -174.542 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 46.5 mm -61.14 -36.7 74.36 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.858 0 N-CA-C 115.236 1.569 . . . . 0.0 115.236 -158.352 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -171.42 160.19 32.19 Favored Glycine 0 CA--C 1.545 1.95 0 CA-C-N 120.256 1.389 . . . . 0.0 115.856 175.434 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_exo -52.83 -49.77 16.39 Favored 'Trans proline' 0 C--N 1.361 1.235 0 C-N-CA 124.989 3.792 . . . . 0.0 115.243 173.363 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 48.2 mtpt -64.0 -27.68 69.29 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 113.589 0.959 . . . . 0.0 113.589 171.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 6.4 t -66.62 -59.93 3.16 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-O 117.345 -1.312 . . . . 0.0 109.113 174.33 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -50.71 -42.87 23.25 Favored 'Isoleucine or valine' 0 C--N 1.353 0.729 0 CA-C-N 120.585 1.539 . . . . 0.0 115.124 172.13 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.92 -56.81 17.43 Favored 'General case' 0 CA--C 1.551 0.998 0 N-CA-C 115.045 1.498 . . . . 0.0 115.045 174.728 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.89 -46.83 74.86 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.367 1.067 . . . . 0.0 110.93 171.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.432 ' CE2' HD11 ' A' ' 41' ' ' ILE . 3.1 t80 -53.8 -55.29 27.8 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.19 1.396 . . . . 0.0 112.445 176.338 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.0 tmtm? -64.3 -40.0 95.05 Favored 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 113.923 1.083 . . . . 0.0 113.923 -178.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 -67.18 -41.2 86.29 Favored 'General case' 0 CA--C 1.551 1.002 0 O-C-N 120.772 -1.205 . . . . 0.0 114.054 173.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 6.1 m -65.08 -29.94 70.85 Favored 'General case' 0 CA--C 1.55 0.951 0 N-CA-C 115.068 1.507 . . . . 0.0 115.068 167.122 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 60.9 m -58.67 -38.31 77.9 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 121.961 2.164 . . . . 0.0 113.121 162.151 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -60.09 -43.57 95.44 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-O 116.148 -1.882 . . . . 0.0 113.413 168.383 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.504 2.2 pp -69.15 -29.6 43.37 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 CA-C-N 123.767 2.985 . . . . 0.0 115.736 167.827 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.98 -41.39 78.31 Favored 'General case' 0 CA--C 1.549 0.929 0 CA-C-N 122.097 2.226 . . . . 0.0 112.901 168.191 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -68.06 -42.13 80.95 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 168.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -64.17 -28.67 69.92 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 120.886 1.675 . . . . 0.0 114.363 171.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 77.7 t -62.55 -51.08 76.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 CA-C-N 120.78 1.627 . . . . 0.0 111.609 164.029 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 77.2 mtt85 -60.16 -41.05 91.97 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 114.973 1.471 . . . . 0.0 114.973 175.134 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -84.42 7.09 20.85 Favored 'General case' 0 CA--C 1.55 0.975 0 N-CA-C 114.875 1.435 . . . . 0.0 114.875 173.247 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 . . . . . 0 N--CA 1.477 0.921 0 C-N-CA 126.963 2.105 . . . . 0.0 115.297 -179.31 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 10.3 mt . . . . . 0 N--CA 1.484 1.226 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.499 ' O ' ' HB1' ' A' ' 11' ' ' ALA . 47.3 mt-10 -62.64 -22.22 66.26 Favored 'General case' 0 CA--C 1.541 0.635 0 CA-C-O 117.228 -1.368 . . . . 0.0 114.128 178.471 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -71.46 -40.48 70.28 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-N 123.134 2.697 . . . . 0.0 113.52 168.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.407 ' OE2' ' HG3' ' A' ' 49' ' ' LYS . 11.7 mm-40 -83.14 -55.1 4.55 Favored 'General case' 0 N--CA 1.48 1.064 0 O-C-N 120.342 -1.474 . . . . 0.0 113.899 174.785 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.72 9.09 0.2 Allowed 'General case' 0 CA--C 1.557 1.237 0 N-CA-C 116.275 1.954 . . . . 0.0 116.275 164.036 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.499 ' HB1' ' O ' ' A' ' 7' ' ' GLU . . . -66.42 -41.79 88.7 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 118.475 -2.64 . . . . 0.0 112.916 147.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 47.1 mttp -80.64 57.44 2.94 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-O 122.451 1.119 . . . . 0.0 111.195 -168.496 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -65.92 -14.85 62.29 Favored 'General case' 0 CA--C 1.547 0.827 0 N-CA-C 114.705 1.372 . . . . 0.0 114.705 178.141 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.4 pttt -63.55 -34.19 77.25 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 159.083 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -101.51 72.53 1.41 Allowed 'General case' 0 CA--C 1.546 0.793 0 CA-C-O 124.966 2.317 . . . . 0.0 109.124 176.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.18 -43.46 74.36 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 109.278 -3.601 . . . . 0.0 114.352 -173.133 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 11.2 tpt -65.85 -32.57 74.16 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.604 0.761 . . . . 0.0 112.409 176.382 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 70.1 mt -83.13 -44.0 15.59 Favored 'General case' 0 CA--C 1.536 0.422 0 O-C-N 121.192 -0.942 . . . . 0.0 111.832 -175.204 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.66 -32.36 70.4 Favored 'General case' 0 CA--C 1.555 1.155 0 O-C-N 120.438 -1.414 . . . . 0.0 113.84 159.631 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -64.86 -31.94 73.4 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 123.835 3.016 . . . . 0.0 112.971 167.211 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 90.0 m -58.87 -38.44 78.81 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-N 121.511 1.96 . . . . 0.0 113.648 163.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . 0.267 0.1 OUTLIER -50.78 -49.62 57.9 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-N 118.839 0.745 . . . . 0.0 111.963 161.398 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.441 ' O ' ' HD1' ' A' ' 27' ' ' TYR 0.25 3.8 m-30 -73.83 -29.11 61.95 Favored 'General case' 0 CA--C 1.549 0.91 0 N-CA-C 113.822 1.045 . . . . 0.0 113.822 -176.584 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -58.79 -41.13 85.96 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.915 0.886 . . . . 0.0 113.136 162.132 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.94 -46.77 79.66 Favored Glycine 0 CA--C 1.534 1.246 0 CA-C-O 119.414 -0.659 . . . . 0.0 114.626 170.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.86 -34.16 72.76 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 114.067 1.136 . . . . 0.0 114.067 176.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.441 ' HD1' ' O ' ' A' ' 23' ' ' TYR . 42.3 m-85 -66.72 86.53 0.12 Allowed 'General case' 0 CA--C 1.549 0.909 0 CA-C-O 123.194 1.473 . . . . 0.0 112.296 163.562 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.0 tpm_? -56.19 125.05 20.03 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 113.723 -1.58 . . . . 0.0 113.272 169.036 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -86.58 -175.52 5.47 Favored 'General case' 0 CA--C 1.554 1.101 0 O-C-N 121.901 -0.499 . . . . 0.0 111.765 172.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -58.86 -82.2 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.97 0 N-CA-C 114.984 1.476 . . . . 0.0 114.984 -178.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -136.24 8.87 3.19 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 122.792 2.542 . . . . 0.0 114.544 177.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -72.0 146.11 47.9 Favored 'General case' 0 CA--C 1.552 1.021 0 O-C-N 120.68 -1.263 . . . . 0.0 112.32 174.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 73.6 p -81.86 158.31 24.06 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 113.842 1.053 . . . . 0.0 113.842 -178.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 73.5 m -60.43 -54.0 50.77 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.642 1.177 . . . . 0.0 114.134 -173.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.6 -21.95 63.54 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 -179.358 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -72.52 -54.67 8.56 Favored 'General case' 0 C--O 1.243 0.726 0 CA-C-N 119.864 1.211 . . . . 0.0 111.108 173.622 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.624 ' O ' HD13 ' A' ' 41' ' ' ILE . 29.2 ptt180 -64.82 -38.55 91.37 Favored 'General case' 0 C--N 1.347 0.486 0 CA-C-O 117.948 -1.025 . . . . 0.0 112.06 172.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . 0.261 . . -85.72 3.17 42.37 Favored 'General case' 0 CA--C 1.551 0.992 0 CA-C-N 122.359 2.345 . . . . 0.0 116.657 173.409 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -74.0 -31.73 63.08 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 119.153 -2.217 . . . . 0.0 112.656 148.051 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.451 ' HB3' ' O ' ' A' ' 37' ' ' ARG . 37.2 ttm180 -69.99 -45.09 68.07 Favored 'General case' 0 CA--C 1.556 1.184 0 O-C-N 121.284 -0.885 . . . . 0.0 112.854 166.62 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.624 HD13 ' O ' ' A' ' 37' ' ' ARG 0.273 3.3 mp -72.27 86.1 0.39 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.942 0 CA-C-O 126.759 3.171 . . . . 0.0 113.519 168.386 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 56.6 mttp -92.26 13.83 18.09 Favored 'General case' 0 CA--C 1.547 0.853 1 CA-C-N 107.975 -4.193 . . . . 0.0 116.252 -176.731 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 50.2 mm -65.25 -37.65 80.68 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.915 0 CA-C-N 119.758 1.163 . . . . 0.0 114.022 -170.355 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -179.39 161.97 28.4 Favored Glycine 0 CA--C 1.545 1.964 0 CA-C-O 117.9 -1.5 . . . . 0.0 115.656 173.208 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_exo -52.57 -48.79 20.05 Favored 'Trans proline' 0 C--N 1.361 1.212 0 C-N-CA 125.201 3.934 . . . . 0.0 115.721 175.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -64.89 -28.7 69.72 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 123.844 0.858 . . . . 0.0 113.267 174.13 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 41.8 t -68.26 -56.8 7.36 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.128 172.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -48.25 -43.5 12.04 Favored 'Isoleucine or valine' 0 C--N 1.352 0.69 0 CA-C-N 121.038 1.745 . . . . 0.0 114.57 169.362 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.407 ' HG3' ' OE2' ' A' ' 9' ' ' GLU . 24.9 tptp -58.7 -55.28 37.09 Favored 'General case' 0 CA--C 1.559 1.296 0 N-CA-C 114.946 1.461 . . . . 0.0 114.946 172.629 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.8 -46.23 74.47 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-N 120.639 1.563 . . . . 0.0 112.115 169.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.439 ' CE2' HD11 ' A' ' 41' ' ' ILE . 2.8 t80 -56.38 -58.39 8.21 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.802 1.241 . . . . 0.0 112.15 176.285 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.12 -42.73 91.26 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.453 1.101 . . . . 0.0 112.334 -178.651 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.482 ' O ' HD13 ' A' ' 57' ' ' ILE . 82.4 m-20 -61.31 -57.67 11.37 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 118.606 0.639 . . . . 0.0 112.553 175.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 12.5 m -61.38 -29.73 70.1 Favored 'General case' 0 CA--C 1.549 0.918 0 N-CA-C 115.359 1.615 . . . . 0.0 115.359 173.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 8.3 t -65.75 -38.61 89.57 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 121.118 1.781 . . . . 0.0 112.537 170.374 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 7.5 m-30 -59.63 -43.59 93.76 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-O 118.324 -0.846 . . . . 0.0 112.441 167.299 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.482 HD13 ' O ' ' A' ' 53' ' ' ASP . 2.1 mp -59.47 -47.51 90.52 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 CA-C-N 119.784 1.174 . . . . 0.0 113.946 168.785 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -51.64 -43.68 62.72 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 173.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 72.6 m-80 -72.0 -34.83 69.2 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 114.396 1.258 . . . . 0.0 114.396 171.578 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -60.18 -39.75 87.57 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 120.871 1.669 . . . . 0.0 113.316 166.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 99.2 t -62.33 -47.49 92.83 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.763 0 CA-C-N 119.436 1.017 . . . . 0.0 112.053 170.081 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 53.9 ttt180 -58.81 -40.09 83.07 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 113.732 1.012 . . . . 0.0 113.732 173.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -85.42 6.92 24.58 Favored 'General case' 0 CA--C 1.553 1.083 0 N-CA-C 115.339 1.607 . . . . 0.0 115.339 171.295 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 . . . . . 0 CA--C 1.552 1.027 0 C-N-CA 126.586 1.954 . . . . 0.0 115.06 -179.78 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 8.9 mt . . . . . 0 N--CA 1.482 1.155 0 CA-C-O 119.12 -0.467 . . . . 0.0 109.812 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -59.96 -67.55 0.37 Allowed 'General case' 0 CA--C 1.54 0.588 0 CA-C-O 116.686 -1.626 . . . . 0.0 111.301 169.26 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -66.19 -17.77 64.93 Favored 'General case' 0 CA--C 1.553 1.094 0 CA-C-N 124.658 3.39 . . . . 0.0 115.094 -173.16 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -85.8 -69.1 0.69 Allowed 'General case' 0 CA--C 1.545 0.758 0 O-C-N 119.796 -1.815 . . . . 0.0 111.75 164.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.87 1.37 12.84 Favored 'General case' 0 CA--C 1.554 1.112 0 N-CA-C 118.463 2.764 . . . . 0.0 118.463 -179.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -80.22 -50.19 10.59 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 117.911 -2.993 . . . . 0.0 111.708 155.228 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 69.2 tttt -88.48 70.47 8.98 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-O 124.059 1.885 . . . . 0.0 110.179 -171.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.4 m-30 -53.39 -3.66 0.03 OUTLIER 'General case' 0 CA--C 1.551 0.983 0 CA-C-N 112.096 -2.32 . . . . 0.0 117.187 178.053 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 58.9 tttp -60.06 -34.73 73.82 Favored 'General case' 0 CA--C 1.547 0.863 0 O-C-N 120.959 -1.088 . . . . 0.0 111.806 159.021 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 18.5 m-30 -80.91 59.87 3.92 Favored 'General case' 0 CA--C 1.549 0.907 0 O-C-N 120.594 -1.316 . . . . 0.0 111.191 174.08 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.55 -53.02 62.45 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 115.413 1.635 . . . . 0.0 115.413 -167.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 62.7 mtp -66.62 -27.72 67.92 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.454 0.909 . . . . 0.0 113.454 176.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 66.9 mt -86.59 -37.8 17.76 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.791 0.837 . . . . 0.0 112.521 -175.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.69 -32.08 71.65 Favored 'General case' 0 CA--C 1.545 0.755 0 O-C-N 120.963 -1.086 . . . . 0.0 111.993 163.511 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.2 ttpp -67.97 -26.13 65.78 Favored 'General case' 0 CA--C 1.555 1.166 0 O-C-N 119.844 -1.785 . . . . 0.0 111.892 169.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 11.3 t -66.81 -39.23 87.63 Favored 'General case' 0 CA--C 1.554 1.101 0 O-C-N 120.606 -1.309 . . . . 0.0 113.647 163.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -47.91 -50.63 26.21 Favored 'General case' 0 N--CA 1.483 1.213 0 CA-C-N 119.376 0.989 . . . . 0.0 111.419 160.794 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.297 4.3 m-30 -75.23 -22.79 57.66 Favored 'General case' 0 CA--C 1.554 1.132 0 N-CA-C 114.137 1.162 . . . . 0.0 114.137 -176.81 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -57.96 -42.1 84.27 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-N 120.067 1.303 . . . . 0.0 113.354 156.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.77 -49.37 79.31 Favored Glycine 0 CA--C 1.532 1.132 0 CA-C-O 119.226 -0.764 . . . . 0.0 114.252 169.532 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.22 -38.93 74.5 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 176.291 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -71.8 80.38 0.87 Allowed 'General case' 0 CA--C 1.55 0.977 0 CA-C-O 122.53 1.157 . . . . 0.0 112.042 164.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.7 tpt180 -63.31 119.29 9.37 Favored 'General case' 0 CA--C 1.55 0.958 0 N-CA-C 115.443 1.645 . . . . 0.0 115.443 174.318 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 34.7 m120 -81.06 118.63 22.67 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-O 121.627 0.727 . . . . 0.0 112.017 164.375 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -68.7 52.98 0.08 Allowed 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 126.014 1.725 . . . . 0.0 115.624 179.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -145.45 -75.13 0.22 Allowed 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 114.369 1.248 . . . . 0.0 114.369 -177.846 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -73.0 -178.74 2.92 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 115.772 1.767 . . . . 0.0 115.772 177.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 12.9 t -97.64 159.11 15.13 Favored 'General case' 0 CA--C 1.546 0.798 0 O-C-N 120.474 -1.392 . . . . 0.0 111.849 158.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 98.9 m -57.33 -50.87 71.57 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 115.268 1.581 . . . . 0.0 115.268 -167.187 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.98 -16.11 60.64 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 113.997 1.11 . . . . 0.0 113.997 -179.772 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -78.72 -50.42 11.41 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.741 1.216 . . . . 0.0 110.949 168.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.526 ' O ' HD13 ' A' ' 41' ' ' ILE . 12.4 ttp180 -54.32 -47.61 72.28 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 115.047 -0.978 . . . . 0.0 110.862 170.394 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -87.65 2.18 51.7 Favored 'General case' 0 CA--C 1.55 0.95 0 N-CA-C 117.638 2.458 . . . . 0.0 117.638 173.091 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.98 -30.87 70.24 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 118.789 -2.444 . . . . 0.0 112.091 150.377 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 37.2 ttp-105 -75.38 -44.1 46.74 Favored 'General case' 0 CA--C 1.553 1.069 0 N-CA-C 114.041 1.126 . . . . 0.0 114.041 166.482 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.526 HD13 ' O ' ' A' ' 37' ' ' ARG 0.306 3.4 mp -66.87 85.78 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.551 0.995 0 CA-C-O 127.422 3.487 . . . . 0.0 113.393 165.825 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.9 tppt? -85.26 -4.79 59.28 Favored 'General case' 0 CA--C 1.547 0.849 1 CA-C-N 106.761 -4.745 . . . . 0.0 115.77 -168.725 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 72.3 mt -59.61 -39.28 79.08 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.884 0 N-CA-C 114.839 1.422 . . . . 0.0 114.839 -162.426 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -176.26 165.31 35.68 Favored Glycine 0 CA--C 1.544 1.846 0 CA-C-N 120.057 1.298 . . . . 0.0 116.02 174.127 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -60.83 -45.2 21.5 Favored 'Trans proline' 0 C--N 1.36 1.156 0 C-N-CA 124.35 3.366 . . . . 0.0 115.12 -179.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.1 mttm -59.95 -32.24 70.62 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.266 1.026 . . . . 0.0 113.568 170.015 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 26.1 t -68.52 -59.86 2.85 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-O 116.986 -1.483 . . . . 0.0 110.074 174.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -47.05 -46.37 8.59 Favored 'Isoleucine or valine' 0 C--N 1.353 0.75 0 CA-C-N 121.417 1.917 . . . . 0.0 115.058 171.83 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -60.56 -53.62 55.25 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 114.055 1.131 . . . . 0.0 114.055 174.157 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.06 -51.23 55.33 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 119.579 1.081 . . . . 0.0 111.134 171.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.423 ' CE2' HD11 ' A' ' 41' ' ' ILE . 2.9 t80 -55.26 -60.36 3.51 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.004 1.322 . . . . 0.0 111.983 178.203 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 57.7 tttp -59.83 -39.66 85.85 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 118.934 0.788 . . . . 0.0 113.06 -177.545 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -70.75 -48.78 52.63 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 119.311 0.96 . . . . 0.0 113.578 179.309 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.6 m -58.8 -38.82 79.43 Favored 'General case' 0 CA--C 1.55 0.952 0 N-CA-C 114.144 1.165 . . . . 0.0 114.144 168.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 13.5 t -63.84 -40.48 96.69 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 119.949 1.25 . . . . 0.0 113.487 175.251 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -62.49 -42.37 99.45 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 118.084 -0.96 . . . . 0.0 112.488 169.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 19.2 mm -59.94 -42.61 89.99 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 CA-C-N 120.251 1.387 . . . . 0.0 113.133 170.263 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.61 -50.22 66.13 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 123.807 0.843 . . . . 0.0 113.183 170.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -63.39 -40.95 98.62 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 113.815 1.043 . . . . 0.0 113.815 173.063 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.72 -43.85 95.33 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-O 117.668 -1.158 . . . . 0.0 113.844 170.709 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 62.5 t -61.35 -36.95 76.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 CA-C-N 121.405 1.911 . . . . 0.0 113.083 173.14 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 20.1 mmt85 -61.06 -37.8 83.94 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 119.795 1.179 . . . . 0.0 113.851 169.328 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.59 -48.64 18.57 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 113.664 0.987 . . . . 0.0 113.664 172.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 . . . . . 0 CA--C 1.552 1.033 0 CA-C-O 122.948 1.356 . . . . 0.0 113.829 -177.578 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . 0.366 1.0 OUTLIER . . . . . 0 N--CA 1.481 1.092 0 CA-C-O 117.297 -1.335 . . . . 0.0 112.565 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -62.85 -64.71 0.84 Allowed 'General case' 0 C--N 1.348 0.501 0 CA-C-O 115.817 -2.04 . . . . 0.0 111.268 173.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -71.44 -23.5 61.86 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 124.967 3.531 . . . . 0.0 115.716 -174.578 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -84.09 -55.56 4.14 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 122.332 2.333 . . . . 0.0 112.518 171.269 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.86 -3.87 43.78 Favored 'General case' 0 CA--C 1.553 1.078 0 N-CA-C 117.814 2.524 . . . . 0.0 117.814 174.247 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.59 -57.85 3.27 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 124.75 3.432 . . . . 0.0 112.271 155.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 41.7 mtmt -79.78 73.68 6.51 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-O 123.982 1.849 . . . . 0.0 111.907 -178.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.2 m-30 -50.1 -12.42 0.08 Allowed 'General case' 0 CA--C 1.551 1.012 0 CA-C-N 111.91 -2.404 . . . . 0.0 116.124 170.538 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -61.1 -28.03 68.8 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.763 1.225 . . . . 0.0 113.389 162.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 10.6 m-30 -81.39 60.27 4.37 Favored 'General case' 0 CA--C 1.552 1.029 0 O-C-N 120.154 -1.591 . . . . 0.0 109.917 171.143 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.17 -54.35 44.36 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 117.139 2.274 . . . . 0.0 117.139 -158.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 11.2 tpt -68.82 -31.95 71.3 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.269 1.028 . . . . 0.0 112.77 177.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 70.8 mt -79.51 -38.45 34.34 Favored 'General case' 0 CA--C 1.536 0.437 0 O-C-N 121.464 -0.773 . . . . 0.0 112.128 -177.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.09 -37.58 87.79 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 112.462 0.542 . . . . 0.0 112.462 162.334 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.5 tmtm? -67.66 -32.3 72.88 Favored 'General case' 0 CA--C 1.552 1.03 0 O-C-N 119.362 -2.086 . . . . 0.0 111.266 172.293 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 9.2 t -62.0 -39.77 93.36 Favored 'General case' 0 CA--C 1.554 1.112 0 CA-C-N 120.18 1.354 . . . . 0.0 113.962 167.238 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.8 t -45.46 -56.42 5.06 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.071 0.948 . . . . 0.0 110.971 159.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.301 7.8 m-30 -72.61 -22.82 60.9 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 114.209 1.188 . . . . 0.0 114.209 -174.755 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -58.25 -40.31 81.43 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 159.144 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.91 -44.27 94.84 Favored Glycine 0 CA--C 1.534 1.278 0 N-CA-C 114.796 0.678 . . . . 0.0 114.796 166.355 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.4 -23.6 67.48 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 114.878 1.436 . . . . 0.0 114.878 177.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -62.23 84.8 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.064 0 CA-C-N 121.164 1.802 . . . . 0.0 110.768 161.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.1 tpm_? -62.36 108.38 1.09 Allowed 'General case' 0 CA--C 1.548 0.897 0 CA-C-O 122.55 1.167 . . . . 0.0 113.532 172.148 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -69.81 154.43 41.98 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-N 114.935 -1.029 . . . . 0.0 112.234 170.31 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -53.42 -50.93 64.17 Favored 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 115.737 1.755 . . . . 0.0 115.737 174.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -134.83 -21.09 1.71 Allowed 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 115.892 1.812 . . . . 0.0 115.892 -170.034 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -70.25 159.05 34.74 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 121.369 1.895 . . . . 0.0 114.868 179.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.8 t -107.55 160.54 15.6 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-O 122.513 1.149 . . . . 0.0 113.562 175.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 83.2 m -61.39 -54.95 37.02 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.434 1.493 . . . . 0.0 114.575 -164.257 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -73.72 -16.41 61.19 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 113.478 0.918 . . . . 0.0 113.478 -179.394 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -73.05 -50.78 21.02 Favored 'General case' 0 CA--C 1.548 0.874 0 O-C-N 120.389 -1.444 . . . . 0.0 111.044 168.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.53 ' O ' HD13 ' A' ' 41' ' ' ILE . 58.9 mtm180 -55.9 -51.18 68.49 Favored 'General case' 0 C--N 1.346 0.443 0 CA-C-N 114.943 -1.026 . . . . 0.0 111.528 168.759 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . 0.27 . . -90.02 11.71 19.81 Favored 'General case' 0 CA--C 1.551 0.993 0 N-CA-C 116.714 2.116 . . . . 0.0 116.714 178.563 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -72.62 -38.38 67.77 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 119.487 -2.008 . . . . 0.0 111.941 143.309 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 84.5 mtm180 -70.05 -45.8 66.35 Favored 'General case' 0 CA--C 1.554 1.103 0 N-CA-C 114.237 1.199 . . . . 0.0 114.237 168.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.53 HD13 ' O ' ' A' ' 37' ' ' ARG . 3.6 mp -72.68 89.08 0.46 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.892 0 CA-C-O 126.641 3.115 . . . . 0.0 113.134 168.026 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 34.2 mtmm -88.58 -7.23 56.78 Favored 'General case' 0 CA--C 1.543 0.697 1 CA-C-N 107.571 -4.377 . . . . 0.0 116.51 -174.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 47.0 mm -59.55 -38.9 77.7 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.903 0 N-CA-C 115.733 1.753 . . . . 0.0 115.733 -156.075 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -168.64 159.15 32.18 Favored Glycine 0 CA--C 1.545 1.936 0 CA-C-O 117.495 -1.725 . . . . 0.0 115.468 176.281 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_exo -52.55 -53.79 6.27 Favored 'Trans proline' 0 C--N 1.361 1.233 0 C-N-CA 125.183 3.922 . . . . 0.0 116.019 177.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 44.5 mttt -63.64 -27.56 69.32 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 172.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 34.8 t -65.15 -59.56 3.97 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-O 117.213 -1.375 . . . . 0.0 109.433 173.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -48.82 -45.41 15.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 CA-C-N 120.763 1.619 . . . . 0.0 115.027 171.039 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -62.29 -52.71 62.61 Favored 'General case' 0 CA--C 1.549 0.918 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 174.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.42 -46.46 69.79 Favored 'General case' 0 CA--C 1.548 0.893 0 CA-C-N 120.033 1.288 . . . . 0.0 110.815 171.077 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.442 ' CE2' HD11 ' A' ' 41' ' ' ILE . 3.9 t80 -55.1 -58.97 5.48 Favored 'General case' 0 C--N 1.35 0.6 0 C-N-CA 125.028 1.331 . . . . 0.0 112.386 175.504 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.411 ' O ' ' HD1' ' A' ' 56' ' ' TYR . 79.7 mttt -61.56 -38.98 89.46 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 119.264 0.938 . . . . 0.0 113.215 -178.256 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -72.8 -42.8 63.49 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 114.349 1.241 . . . . 0.0 114.349 178.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.4 m -60.02 -37.58 80.16 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 165.346 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 5.6 t -63.46 -38.01 89.5 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 119.681 1.128 . . . . 0.0 112.695 172.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.411 ' HD1' ' O ' ' A' ' 52' ' ' LYS . 18.5 m-85 -58.67 -45.28 89.77 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 119.771 1.169 . . . . 0.0 113.569 165.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 21.7 mm -59.92 -44.65 94.89 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 CA-C-N 119.569 1.077 . . . . 0.0 112.84 172.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.05 -45.64 75.28 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.393 1.077 . . . . 0.0 113.836 172.534 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -67.45 -34.24 76.77 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 114.145 1.165 . . . . 0.0 114.145 172.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -62.72 -46.11 89.61 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 119.818 1.19 . . . . 0.0 112.318 167.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 94.1 t -58.48 -42.28 83.97 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.842 0 CA-C-N 119.713 1.142 . . . . 0.0 112.55 172.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 43.7 ttt180 -59.29 -40.13 85.18 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 113.612 0.968 . . . . 0.0 113.612 171.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.27 -42.57 62.32 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 172.309 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 . . . . . 0 CA--C 1.543 0.701 0 N-CA-C 114.623 1.342 . . . . 0.0 114.623 178.731 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.5 mt . . . . . 0 N--CA 1.486 1.34 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -58.69 -60.38 3.91 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-O 116.955 -1.498 . . . . 0.0 111.82 173.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -66.76 -20.86 66.04 Favored 'General case' 0 CA--C 1.55 0.955 0 CA-C-N 123.803 3.002 . . . . 0.0 114.576 -176.263 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -85.84 -62.88 1.42 Allowed 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 121.795 2.089 . . . . 0.0 112.195 166.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.0 1.27 11.28 Favored 'General case' 0 CA--C 1.556 1.198 0 N-CA-C 117.936 2.569 . . . . 0.0 117.936 177.479 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.45 -50.62 12.3 Favored 'General case' 0 N--CA 1.474 0.729 0 O-C-N 117.517 -3.24 . . . . 0.0 111.781 154.466 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -80.19 70.46 6.82 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-O 122.847 1.308 . . . . 0.0 111.514 -177.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -55.09 -9.66 0.42 Allowed 'General case' 0 CA--C 1.552 1.029 0 N-CA-C 115.814 1.783 . . . . 0.0 115.814 172.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -61.51 -31.64 71.64 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.759 1.224 . . . . 0.0 113.274 160.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 14.3 m-30 -82.55 61.42 5.68 Favored 'General case' 0 CA--C 1.549 0.922 0 O-C-N 120.162 -1.586 . . . . 0.0 109.729 172.18 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.25 -52.09 62.47 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 115.7 1.741 . . . . 0.0 115.7 -164.206 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 34.4 ttm -67.98 -30.07 69.26 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.495 1.118 . . . . 0.0 112.813 177.217 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 66.0 mt -84.42 -39.39 19.05 Favored 'General case' 0 CA--C 1.536 0.406 0 O-C-N 121.381 -0.824 . . . . 0.0 112.356 -174.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.1 pptp? -67.26 -31.6 72.06 Favored 'General case' 0 CA--C 1.547 0.834 0 O-C-N 121.177 -0.952 . . . . 0.0 112.124 163.077 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.3 ttpp -68.2 -27.34 66.31 Favored 'General case' 0 CA--C 1.556 1.18 0 O-C-N 119.513 -1.992 . . . . 0.0 112.188 169.222 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 11.6 t -66.26 -39.39 89.44 Favored 'General case' 0 CA--C 1.553 1.071 0 O-C-N 120.44 -1.413 . . . . 0.0 113.593 165.43 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -47.77 -52.59 18.18 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.672 0.789 . . . . 0.0 110.932 160.472 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.311 5.0 m-30 -74.85 -18.33 60.46 Favored 'General case' 0 CA--C 1.555 1.143 0 N-CA-C 114.392 1.256 . . . . 0.0 114.392 -176.074 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -60.54 -44.56 95.96 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 120.401 1.455 . . . . 0.0 113.667 155.583 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.02 -42.25 98.31 Favored Glycine 0 CA--C 1.534 1.275 0 CA-C-O 119.51 -0.606 . . . . 0.0 114.288 170.4 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.87 -42.53 97.49 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 113.678 0.992 . . . . 0.0 113.678 172.647 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -70.91 69.47 0.46 Allowed 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 123.579 1.657 . . . . 0.0 113.855 170.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 29.8 ttt85 -89.07 84.29 6.57 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-O 123.502 1.62 . . . . 0.0 111.339 172.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 30.3 m120 -103.63 -23.42 13.47 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 113.781 -1.554 . . . . 0.0 115.186 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -76.97 -99.73 0.02 OUTLIER 'General case' 0 CA--C 1.557 1.212 0 N-CA-C 116.231 1.937 . . . . 0.0 116.231 -178.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -176.18 -34.61 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 125.652 1.581 . . . . 0.0 113.28 -166.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -67.29 163.06 21.37 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 115.889 1.811 . . . . 0.0 115.889 -169.324 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.0 t -82.98 153.56 24.93 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 120.46 -1.4 . . . . 0.0 112.425 176.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 72.9 m -59.3 -49.51 77.56 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 114.436 1.273 . . . . 0.0 114.436 -162.206 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -71.78 -22.53 61.57 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 113.697 0.999 . . . . 0.0 113.697 177.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -72.17 -52.49 16.35 Favored 'General case' 0 CA--C 1.548 0.874 0 O-C-N 119.731 -1.856 . . . . 0.0 111.177 171.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.525 ' O ' HD13 ' A' ' 41' ' ' ILE . 26.4 ttt-85 -53.32 -51.88 60.96 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 112.607 -2.088 . . . . 0.0 110.422 172.214 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -88.57 6.31 38.7 Favored 'General case' 0 CA--C 1.55 0.961 0 N-CA-C 117.332 2.345 . . . . 0.0 117.332 175.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.51 -35.73 75.79 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 118.944 -2.347 . . . . 0.0 111.786 148.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 88.2 mtm-85 -70.69 -41.72 71.64 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 113.668 0.988 . . . . 0.0 113.668 167.027 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.525 HD13 ' O ' ' A' ' 37' ' ' ARG 0.253 3.4 mp -76.81 78.91 0.66 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.918 0 CA-C-O 127.378 3.466 . . . . 0.0 113.016 166.214 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -95.92 14.93 21.88 Favored 'General case' 0 CA--C 1.547 0.847 1 CA-C-N 107.346 -4.479 . . . . 0.0 115.381 -172.284 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 70.6 mt -66.57 -40.82 87.24 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.858 0 N-CA-C 113.641 0.978 . . . . 0.0 113.641 -168.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -169.9 159.89 32.68 Favored Glycine 0 CA--C 1.546 1.994 0 CA-C-O 117.793 -1.559 . . . . 0.0 115.894 175.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_exo -52.23 -48.62 20.8 Favored 'Trans proline' 0 C--N 1.362 1.243 0 C-N-CA 125.224 3.949 . . . . 0.0 115.851 175.417 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 22.3 mttm -62.19 -30.65 71.22 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 113.944 1.09 . . . . 0.0 113.944 172.052 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 24.7 t -68.79 -59.93 2.74 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-O 116.987 -1.482 . . . . 0.0 109.73 174.153 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -47.76 -43.98 10.35 Favored 'Isoleucine or valine' 0 C--N 1.354 0.769 0 CA-C-N 121.444 1.929 . . . . 0.0 114.996 171.278 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.413 ' HA ' ' HZ2' ' A' ' 49' ' ' LYS . 0.2 OUTLIER -60.27 -54.27 47.75 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 115.544 1.683 . . . . 0.0 115.544 172.959 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.81 -49.65 62.33 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.25 1.02 . . . . 0.0 110.786 170.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.438 ' CE2' HD11 ' A' ' 41' ' ' ILE . 4.1 t80 -55.45 -59.48 4.76 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.941 1.296 . . . . 0.0 112.358 177.361 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 56.6 mtmt -62.12 -35.86 80.0 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 114.317 1.228 . . . . 0.0 114.317 -178.02 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -76.44 -39.44 53.4 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 119.913 1.233 . . . . 0.0 113.877 177.434 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 5.3 m -63.01 -33.77 76.13 Favored 'General case' 0 CA--C 1.551 1.018 0 O-C-N 120.722 -1.236 . . . . 0.0 114.187 163.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 6.2 t -63.82 -37.64 88.13 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 120.758 1.617 . . . . 0.0 112.814 171.226 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -57.7 -45.93 85.01 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 123.985 0.914 . . . . 0.0 112.947 165.408 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 30.6 mm -58.2 -48.81 83.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 CA-C-N 120.141 1.337 . . . . 0.0 113.96 168.059 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.64 -45.7 77.57 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 176.496 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -66.24 -35.22 79.84 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 114.061 1.134 . . . . 0.0 114.061 171.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.425 ' O ' ' HG2' ' A' ' 64' ' ' GLU . 19.2 tt0 -61.58 -44.8 96.35 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 119.862 1.21 . . . . 0.0 111.949 168.767 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 85.2 t -61.43 -43.39 96.68 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.746 0 C-N-CA 123.959 0.904 . . . . 0.0 112.746 171.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 32.2 mmt180 -63.93 -29.75 70.89 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 120.207 1.367 . . . . 0.0 114.503 170.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.18 -55.06 10.32 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 120.057 1.299 . . . . 0.0 113.214 166.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.425 ' HG2' ' O ' ' A' ' 60' ' ' GLN . 15.5 pt-20 . . . . . 0 CA--C 1.555 1.171 0 CA-C-N 121.18 1.809 . . . . 0.0 113.382 178.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.7 mt . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.01 -53.51 56.95 Favored 'General case' 0 C--O 1.219 -0.518 0 CA-C-O 115.592 -2.147 . . . . 0.0 113.037 175.024 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -62.08 -20.62 64.2 Favored 'General case' 0 N--CA 1.477 0.914 1 CA-C-N 126.023 4.01 . . . . 0.0 114.885 178.659 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -84.49 -65.06 1.05 Allowed 'General case' 0 CA--C 1.545 0.756 0 O-C-N 120.784 -1.197 . . . . 0.0 111.848 167.515 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.15 3.52 10.46 Favored 'General case' 0 CA--C 1.556 1.197 0 N-CA-C 119.134 3.012 . . . . 0.0 119.134 177.357 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.46 -51.64 8.08 Favored 'General case' 0 N--CA 1.472 0.635 0 O-C-N 117.153 -3.467 . . . . 0.0 111.892 157.161 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.4 mtpt -84.27 70.1 10.54 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-O 123.568 1.651 . . . . 0.0 111.293 -173.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -56.55 0.35 0.03 OUTLIER 'General case' 0 CA--C 1.555 1.14 0 N-CA-C 116.474 2.027 . . . . 0.0 116.474 174.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -58.83 -51.43 70.03 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.549 1.54 . . . . 0.0 112.434 167.455 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . 0.259 0.6 OUTLIER -87.73 69.5 9.6 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-O 125.395 2.521 . . . . 0.0 111.681 170.285 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.42 -34.21 66.56 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 109.667 -3.424 . . . . 0.0 115.012 -177.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 58.2 ttp -63.32 -39.57 94.93 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.652 1.181 . . . . 0.0 113.092 173.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 79.4 mt -81.77 -38.55 25.46 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 121.568 -0.708 . . . . 0.0 112.259 -177.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.8 tmtt? -62.99 -34.03 76.67 Favored 'General case' 0 CA--C 1.552 1.052 0 O-C-N 121.445 -0.784 . . . . 0.0 112.999 163.289 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.6 tttm -61.76 -39.99 93.55 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 121.806 2.093 . . . . 0.0 111.168 166.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 96.3 m -53.3 -42.7 66.91 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 122.405 2.366 . . . . 0.0 113.914 168.521 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -48.65 -56.83 7.38 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.402 0.681 . . . . 0.0 111.35 163.689 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.265 7.8 m-30 -74.59 -21.23 59.59 Favored 'General case' 0 CA--C 1.553 1.074 0 N-CA-C 114.716 1.376 . . . . 0.0 114.716 -173.64 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -61.12 -40.11 92.54 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.485 1.114 . . . . 0.0 112.972 159.344 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.13 -54.75 35.37 Favored Glycine 0 CA--C 1.533 1.19 0 CA-C-O 119.197 -0.779 . . . . 0.0 113.975 166.216 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.94 -46.45 89.36 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 115.009 1.485 . . . . 0.0 115.009 -179.342 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -76.28 63.44 1.92 Allowed 'General case' 0 CA--C 1.55 0.946 0 CA-C-N 120.485 1.493 . . . . 0.0 113.267 176.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 73.4 ttt180 -77.15 78.19 3.69 Favored 'General case' 0 CA--C 1.548 0.886 0 CA-C-O 123.911 1.815 . . . . 0.0 112.448 179.311 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -89.33 -21.17 23.26 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 113.551 -1.659 . . . . 0.0 112.103 169.633 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -69.62 12.14 0.21 Allowed 'General case' 0 CA--C 1.551 0.989 0 N-CA-C 116.948 2.203 . . . . 0.0 116.948 -169.53 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . 0.309 3.3 p30 47.53 -35.07 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.179 0 N-CA-C 119.752 3.242 . . . . 0.0 119.752 -172.49 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -64.22 179.05 0.61 Allowed 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 126.85 2.06 . . . . 0.0 116.242 179.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 13.7 t -88.95 155.56 19.43 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 120.691 -1.256 . . . . 0.0 113.687 175.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 71.3 m -57.38 -53.01 62.98 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.672 1.589 . . . . 0.0 114.965 -167.232 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -73.54 -21.39 60.39 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 114.59 1.329 . . . . 0.0 114.59 -173.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -80.02 -47.8 14.34 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 121.64 2.018 . . . . 0.0 110.592 173.068 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.582 ' O ' HD13 ' A' ' 41' ' ' ILE . 15.9 ptt180 -63.22 -37.3 86.69 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-O 118.612 -0.709 . . . . 0.0 111.848 173.122 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -85.86 -3.33 58.89 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 116.8 2.148 . . . . 0.0 116.8 170.055 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -68.16 -25.66 65.38 Favored 'General case' 0 CA--C 1.543 0.685 0 O-C-N 119.236 -2.165 . . . . 0.0 112.306 150.344 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 42.2 mtt180 -73.62 -57.43 4.0 Favored 'General case' 0 CA--C 1.553 1.091 0 CA-C-O 117.414 -1.279 . . . . 0.0 112.471 164.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.582 HD13 ' O ' ' A' ' 37' ' ' ARG 0.317 3.2 mp -54.72 93.79 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.552 1.02 0 CA-C-O 127.178 3.37 . . . . 0.0 114.596 174.009 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.23 -8.37 53.63 Favored 'General case' 0 CA--C 1.544 0.732 1 CA-C-N 106.86 -4.7 . . . . 0.0 117.382 -166.636 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 2.2 mp -59.51 -37.03 68.05 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.968 0 N-CA-C 115.09 1.515 . . . . 0.0 115.09 -164.162 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 175.92 166.01 32.69 Favored Glycine 0 CA--C 1.545 1.94 0 CA-C-N 120.341 1.428 . . . . 0.0 116.184 171.425 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_exo -52.24 -46.2 34.31 Favored 'Trans proline' 0 C--N 1.361 1.206 0 C-N-CA 125.22 3.947 . . . . 0.0 115.897 175.35 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 48.4 tttm -68.42 -28.46 67.1 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 124.341 1.056 . . . . 0.0 112.352 177.001 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 30.1 t -67.33 -57.62 6.31 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 117.36 -1.305 . . . . 0.0 111.626 170.549 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -49.91 -39.72 15.62 Favored 'Isoleucine or valine' 0 C--N 1.352 0.71 0 CA-C-N 120.628 1.558 . . . . 0.0 114.536 170.19 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 26.5 tptp -63.63 -51.75 63.81 Favored 'General case' 0 CA--C 1.553 1.081 0 N-CA-C 114.614 1.339 . . . . 0.0 114.614 173.422 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.66 -49.45 62.29 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 119.963 1.256 . . . . 0.0 111.002 168.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.438 ' CE2' HD11 ' A' ' 41' ' ' ILE . 3.7 t80 -54.55 -56.68 16.37 Favored 'General case' 0 C--N 1.349 0.571 0 C-N-CA 125.226 1.41 . . . . 0.0 112.01 176.459 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.415 ' O ' ' HD1' ' A' ' 56' ' ' TYR . 17.5 mmtt -60.47 -40.13 90.12 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 114.425 1.268 . . . . 0.0 114.425 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -65.52 -50.1 66.48 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 120.023 1.283 . . . . 0.0 113.958 175.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 5.9 m -62.63 -30.88 71.69 Favored 'General case' 0 CA--C 1.55 0.958 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 169.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.8 t -69.34 -33.91 73.82 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 120.516 1.507 . . . . 0.0 113.446 171.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.415 ' HD1' ' O ' ' A' ' 52' ' ' LYS . 26.8 m-85 -59.53 -42.35 92.11 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 120.577 -1.327 . . . . 0.0 112.771 164.207 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 26.0 mm -59.62 -44.44 93.39 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 N-CA-C 113.623 0.971 . . . . 0.0 113.623 168.239 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.54 -40.11 78.1 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 113.783 1.031 . . . . 0.0 113.783 172.272 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 50.0 m-80 -60.7 -43.73 97.41 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 119.994 1.27 . . . . 0.0 113.519 168.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -62.46 -41.14 98.56 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 113.221 0.822 . . . . 0.0 113.221 172.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 95.7 t -63.76 -45.77 96.33 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.738 0 CA-C-N 118.783 0.719 . . . . 0.0 112.437 169.587 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -66.29 -23.39 66.38 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 120.939 1.7 . . . . 0.0 115.564 174.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.79 -28.28 69.47 Favored 'General case' 0 CA--C 1.548 0.886 0 CA-C-N 119.807 1.185 . . . . 0.0 113.706 162.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 . . . . . 0 CA--C 1.546 0.79 0 C-N-CA 124.049 0.939 . . . . 0.0 112.082 173.214 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . 0.366 1.0 OUTLIER . . . . . 0 N--CA 1.481 1.092 0 CA-C-O 117.297 -1.335 . . . . 0.0 112.565 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -62.85 -64.71 0.84 Allowed 'General case' 0 C--N 1.348 0.501 0 CA-C-O 115.817 -2.04 . . . . 0.0 111.268 173.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -71.44 -23.5 61.86 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 124.967 3.531 . . . . 0.0 115.716 -174.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -84.09 -55.56 4.14 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 122.332 2.333 . . . . 0.0 112.518 171.269 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.86 -3.87 43.78 Favored 'General case' 0 CA--C 1.553 1.078 0 N-CA-C 117.814 2.524 . . . . 0.0 117.814 174.247 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.59 -57.85 3.27 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 124.75 3.432 . . . . 0.0 112.271 155.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 41.7 mtmt -79.78 73.68 6.51 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-O 123.982 1.849 . . . . 0.0 111.907 -178.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.2 m-30 -50.1 -12.42 0.08 Allowed 'General case' 0 CA--C 1.551 1.012 0 CA-C-N 111.91 -2.404 . . . . 0.0 116.124 170.538 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -61.1 -28.03 68.8 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.763 1.225 . . . . 0.0 113.389 162.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 10.6 m-30 -81.39 60.27 4.37 Favored 'General case' 0 CA--C 1.552 1.029 0 O-C-N 120.154 -1.591 . . . . 0.0 109.917 171.143 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.17 -54.35 44.36 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 117.139 2.274 . . . . 0.0 117.139 -158.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 11.2 tpt -68.82 -31.95 71.3 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.269 1.028 . . . . 0.0 112.77 177.456 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 70.8 mt -79.51 -38.45 34.34 Favored 'General case' 0 CA--C 1.536 0.437 0 O-C-N 121.464 -0.773 . . . . 0.0 112.128 -177.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.09 -37.58 87.79 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 112.462 0.542 . . . . 0.0 112.462 162.334 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.5 tmtm? -67.66 -32.3 72.88 Favored 'General case' 0 CA--C 1.552 1.03 0 O-C-N 119.362 -2.086 . . . . 0.0 111.266 172.293 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 9.2 t -62.0 -39.77 93.36 Favored 'General case' 0 CA--C 1.554 1.112 0 CA-C-N 120.18 1.354 . . . . 0.0 113.962 167.238 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.8 t -45.46 -56.42 5.06 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.071 0.948 . . . . 0.0 110.971 159.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.301 7.8 m-30 -72.61 -22.82 60.9 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 114.209 1.188 . . . . 0.0 114.209 -174.755 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -58.25 -40.31 81.43 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 159.144 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.91 -44.27 94.84 Favored Glycine 0 CA--C 1.534 1.278 0 N-CA-C 114.796 0.678 . . . . 0.0 114.796 166.355 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.4 -23.6 67.48 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 114.878 1.436 . . . . 0.0 114.878 177.461 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -62.23 84.8 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.064 0 CA-C-N 121.164 1.802 . . . . 0.0 110.768 161.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.1 tpm_? -62.36 108.38 1.09 Allowed 'General case' 0 CA--C 1.548 0.897 0 CA-C-O 122.55 1.167 . . . . 0.0 113.532 172.148 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -69.81 154.43 41.98 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-N 114.935 -1.029 . . . . 0.0 112.234 170.31 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -53.42 -50.93 64.17 Favored 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 115.737 1.755 . . . . 0.0 115.737 174.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -134.83 -21.09 1.71 Allowed 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 115.892 1.812 . . . . 0.0 115.892 -170.034 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -70.25 159.05 34.74 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 121.369 1.895 . . . . 0.0 114.868 179.475 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.8 t -107.55 160.54 15.6 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-O 122.513 1.149 . . . . 0.0 113.562 175.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 83.2 m -61.39 -54.95 37.02 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.434 1.493 . . . . 0.0 114.575 -164.257 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -73.72 -16.41 61.19 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 113.478 0.918 . . . . 0.0 113.478 -179.394 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -73.05 -50.78 21.02 Favored 'General case' 0 CA--C 1.548 0.874 0 O-C-N 120.389 -1.444 . . . . 0.0 111.044 168.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.53 ' O ' HD13 ' A' ' 41' ' ' ILE . 58.9 mtm180 -55.9 -51.18 68.49 Favored 'General case' 0 C--N 1.346 0.443 0 CA-C-N 114.943 -1.026 . . . . 0.0 111.528 168.759 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . 0.27 . . -90.02 11.71 19.81 Favored 'General case' 0 CA--C 1.551 0.993 0 N-CA-C 116.714 2.116 . . . . 0.0 116.714 178.563 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -72.62 -38.38 67.77 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 119.487 -2.008 . . . . 0.0 111.941 143.309 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 84.5 mtm180 -70.05 -45.8 66.35 Favored 'General case' 0 CA--C 1.554 1.103 0 N-CA-C 114.237 1.199 . . . . 0.0 114.237 168.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.53 HD13 ' O ' ' A' ' 37' ' ' ARG . 3.6 mp -72.68 89.08 0.46 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.892 0 CA-C-O 126.641 3.115 . . . . 0.0 113.134 168.026 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 34.2 mtmm -88.58 -7.23 56.78 Favored 'General case' 0 CA--C 1.543 0.697 1 CA-C-N 107.571 -4.377 . . . . 0.0 116.51 -174.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 47.0 mm -59.55 -38.9 77.7 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.903 0 N-CA-C 115.733 1.753 . . . . 0.0 115.733 -156.075 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -168.64 159.15 32.18 Favored Glycine 0 CA--C 1.545 1.936 0 CA-C-O 117.495 -1.725 . . . . 0.0 115.468 176.281 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_exo -52.55 -53.79 6.27 Favored 'Trans proline' 0 C--N 1.361 1.233 0 C-N-CA 125.183 3.922 . . . . 0.0 116.019 177.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 44.5 mttt -63.64 -27.56 69.32 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 172.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 34.8 t -65.15 -59.56 3.97 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-O 117.213 -1.375 . . . . 0.0 109.433 173.155 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -48.82 -45.41 15.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 CA-C-N 120.763 1.619 . . . . 0.0 115.027 171.039 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -62.29 -52.71 62.61 Favored 'General case' 0 CA--C 1.549 0.918 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 174.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.42 -46.46 69.79 Favored 'General case' 0 CA--C 1.548 0.893 0 CA-C-N 120.033 1.288 . . . . 0.0 110.815 171.077 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.442 ' CE2' HD11 ' A' ' 41' ' ' ILE . 3.9 t80 -55.1 -58.97 5.48 Favored 'General case' 0 C--N 1.35 0.6 0 C-N-CA 125.028 1.331 . . . . 0.0 112.386 175.504 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.411 ' O ' ' HD1' ' A' ' 56' ' ' TYR . 79.7 mttt -61.56 -38.98 89.46 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 119.264 0.938 . . . . 0.0 113.215 -178.256 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -72.8 -42.8 63.49 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 114.349 1.241 . . . . 0.0 114.349 178.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.4 m -60.02 -37.58 80.16 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 165.346 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 5.6 t -63.46 -38.01 89.5 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 119.681 1.128 . . . . 0.0 112.695 172.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.411 ' HD1' ' O ' ' A' ' 52' ' ' LYS . 18.5 m-85 -58.67 -45.28 89.77 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 119.771 1.169 . . . . 0.0 113.569 165.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 21.7 mm -59.92 -44.65 94.89 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 CA-C-N 119.569 1.077 . . . . 0.0 112.84 172.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.05 -45.64 75.28 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.393 1.077 . . . . 0.0 113.836 172.534 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -67.45 -34.24 76.77 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 114.145 1.165 . . . . 0.0 114.145 172.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -62.72 -46.11 89.61 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 119.818 1.19 . . . . 0.0 112.318 167.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 94.1 t -58.48 -42.28 83.97 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.842 0 CA-C-N 119.713 1.142 . . . . 0.0 112.55 172.648 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 43.7 ttt180 -59.29 -40.13 85.18 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 113.612 0.968 . . . . 0.0 113.612 171.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.27 -42.57 62.32 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 172.309 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 . . . . . 0 CA--C 1.543 0.701 0 N-CA-C 114.623 1.342 . . . . 0.0 114.623 178.731 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.6 mp . . . . . 0 N--CA 1.483 1.18 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -61.37 -32.03 71.94 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 116.83 -1.557 . . . . 0.0 113.6 -178.881 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -70.99 -57.57 4.42 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 122.767 2.53 . . . . 0.0 113.021 171.124 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -66.11 -47.31 74.56 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 120.364 1.438 . . . . 0.0 112.815 -177.443 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.72 -0.24 15.02 Favored 'General case' 0 CA--C 1.555 1.158 0 N-CA-C 117.152 2.278 . . . . 0.0 117.152 165.372 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -79.04 -47.33 16.4 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 125.101 3.591 . . . . 0.0 112.851 151.449 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 43.2 mtmt -73.5 62.9 0.77 Allowed 'General case' 0 CA--C 1.55 0.971 0 CA-C-O 122.781 1.277 . . . . 0.0 112.554 -177.166 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -58.13 -12.01 3.1 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 115.287 1.588 . . . . 0.0 115.287 173.938 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -61.69 -36.85 82.09 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.679 1.192 . . . . 0.0 112.729 162.23 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -89.72 69.96 7.72 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-O 124.869 2.271 . . . . 0.0 109.979 174.006 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.7 -46.37 77.66 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 109.53 -3.486 . . . . 0.0 114.845 -167.855 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -70.45 -29.0 65.46 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.173 0.989 . . . . 0.0 113.597 177.046 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 84.5 mt -81.89 -40.27 22.62 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 119.622 1.101 . . . . 0.0 112.79 -178.285 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.1 pptp? -68.45 -32.01 71.73 Favored 'General case' 0 CA--C 1.547 0.837 0 O-C-N 121.486 -0.759 . . . . 0.0 112.657 163.933 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.29 -27.2 66.98 Favored 'General case' 0 CA--C 1.547 0.862 0 CA-C-N 121.962 2.165 . . . . 0.0 112.305 169.19 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 9.0 t -67.01 -38.71 86.45 Favored 'General case' 0 CA--C 1.551 0.997 0 CA-C-N 119.8 1.182 . . . . 0.0 113.73 164.798 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -47.81 -51.98 20.57 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-N 119.502 1.046 . . . . 0.0 110.833 159.076 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.331 5.1 m-30 -72.9 -26.74 61.53 Favored 'General case' 0 CA--C 1.55 0.955 0 N-CA-C 113.588 0.958 . . . . 0.0 113.588 -176.451 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -56.42 -37.63 70.48 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 119.93 1.241 . . . . 0.0 114.225 158.489 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.35 -44.57 90.26 Favored Glycine 0 CA--C 1.535 1.307 0 CA-C-N 118.979 0.808 . . . . 0.0 114.487 166.396 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.26 -47.41 73.8 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 115.846 1.795 . . . . 0.0 115.846 -177.665 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . 0.357 2.0 p90 -77.29 59.84 1.87 Allowed 'General case' 0 CA--C 1.553 1.079 0 CA-C-N 124.005 3.093 . . . . 0.0 114.484 176.974 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.91 123.05 38.16 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 113.852 -1.522 . . . . 0.0 110.651 178.034 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 29.9 m-80 -112.66 -124.87 0.28 Allowed 'General case' 0 CA--C 1.551 0.999 0 O-C-N 121.137 -0.977 . . . . 0.0 110.952 -173.327 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -67.89 -14.62 63.11 Favored 'General case' 0 CA--C 1.548 0.903 0 O-C-N 119.965 -1.709 . . . . 0.0 115.238 171.829 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -68.22 123.22 20.1 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 124.662 1.185 . . . . 0.0 112.276 -179.317 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -60.27 -81.01 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.847 0 N-CA-C 117.225 2.306 . . . . 0.0 117.225 -154.685 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.0 t -126.61 141.09 51.97 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 121.275 1.852 . . . . 0.0 113.864 -170.937 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 76.5 m -69.77 -50.94 38.31 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 115.796 1.776 . . . . 0.0 115.796 -163.808 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.72 -16.61 63.18 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 115.137 1.532 . . . . 0.0 115.137 -178.413 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -73.78 -53.8 9.47 Favored 'General case' 0 CA--C 1.55 0.953 0 CA-C-N 119.797 1.18 . . . . 0.0 111.352 167.932 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.56 ' O ' HD13 ' A' ' 41' ' ' ILE . 20.4 mtt85 -59.58 -40.65 88.06 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.134 0.974 . . . . 0.0 112.384 172.881 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -91.87 7.43 42.01 Favored 'General case' 0 CA--C 1.55 0.973 0 N-CA-C 116.402 2.001 . . . . 0.0 116.402 171.955 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.75 -32.83 68.12 Favored 'General case' 0 CA--C 1.543 0.673 0 O-C-N 118.923 -2.36 . . . . 0.0 112.013 145.507 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.443 ' HB3' ' O ' ' A' ' 37' ' ' ARG . 54.1 ttp180 -71.14 -49.47 43.69 Favored 'General case' 0 CA--C 1.556 1.179 0 N-CA-C 113.655 0.983 . . . . 0.0 113.655 166.267 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.56 HD13 ' O ' ' A' ' 37' ' ' ARG 0.259 3.3 mp -65.52 87.66 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.549 0.932 0 CA-C-O 127.183 3.373 . . . . 0.0 112.774 165.807 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.0 tppt? -86.41 -11.06 52.99 Favored 'General case' 0 CA--C 1.546 0.801 1 CA-C-N 106.961 -4.654 . . . . 0.0 115.784 -169.464 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 45.7 mm -59.33 -39.1 78.11 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.874 0 N-CA-C 115.605 1.706 . . . . 0.0 115.605 -156.357 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -172.55 161.73 33.32 Favored Glycine 0 CA--C 1.546 1.983 0 CA-C-N 120.78 1.627 . . . . 0.0 116.254 175.68 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_exo -53.22 -50.61 13.39 Favored 'Trans proline' 0 C--N 1.361 1.234 0 C-N-CA 125.18 3.92 . . . . 0.0 115.749 175.496 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 44.8 mttm -64.59 -26.24 68.32 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 113.931 1.085 . . . . 0.0 113.931 172.755 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 49.8 t -68.14 -60.56 2.38 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-O 116.988 -1.482 . . . . 0.0 109.794 171.759 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -49.02 -40.14 12.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 CA-C-N 121.323 1.874 . . . . 0.0 115.178 171.697 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.8 tptp -67.99 -48.27 66.23 Favored 'General case' 0 CA--C 1.552 1.036 0 N-CA-C 114.73 1.381 . . . . 0.0 114.73 174.948 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.14 -48.22 68.09 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 120.222 1.374 . . . . 0.0 110.238 167.451 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.444 ' CE2' HD11 ' A' ' 41' ' ' ILE . 2.9 t80 -55.57 -57.98 9.66 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.196 1.398 . . . . 0.0 112.49 175.924 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 53.3 tptt -64.75 -37.08 86.38 Favored 'General case' 0 CA--C 1.548 0.903 0 CA-C-N 119.81 1.186 . . . . 0.0 113.911 -177.18 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -74.82 -39.18 61.81 Favored 'General case' 0 CA--C 1.554 1.097 0 O-C-N 120.015 -1.678 . . . . 0.0 113.87 175.783 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.7 m -62.46 -34.35 76.65 Favored 'General case' 0 CA--C 1.551 0.982 0 N-CA-C 114.106 1.151 . . . . 0.0 114.106 165.066 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 15.1 t -54.75 -46.08 74.27 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 120.196 1.362 . . . . 0.0 113.551 165.523 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -54.32 -48.13 71.72 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-O 118.044 -0.979 . . . . 0.0 112.939 169.122 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 34.7 mm -56.55 -49.19 78.69 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.176 0 CA-C-N 119.534 1.061 . . . . 0.0 113.3 170.155 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.84 -45.01 86.86 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 114.216 1.191 . . . . 0.0 114.216 176.076 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 39.8 m-80 -68.52 -25.16 64.8 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 114.542 1.312 . . . . 0.0 114.542 174.113 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -67.29 -46.15 74.46 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 120.012 1.278 . . . . 0.0 112.004 162.823 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 94.3 t -65.49 -55.67 18.87 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.772 0 CA-C-O 117.236 -1.364 . . . . 0.0 113.674 176.219 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 29.2 ptt180 -68.18 -14.66 63.15 Favored 'General case' 0 CA--C 1.549 0.938 0 CA-C-N 122.177 2.262 . . . . 0.0 115.419 -176.674 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -79.73 -33.71 40.64 Favored 'General case' 0 CA--C 1.545 0.775 0 O-C-N 120.784 -1.197 . . . . 0.0 113.226 165.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 . . . . . 0 CA--C 1.547 0.836 0 C-N-CA 124.202 1.001 . . . . 0.0 112.479 176.726 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.5 mt . . . . . 0 N--CA 1.48 1.048 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.553 ' O ' ' HB1' ' A' ' 11' ' ' ALA . 38.6 mt-10 -71.87 -7.03 46.01 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 115.213 1.56 . . . . 0.0 115.213 179.577 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 81.0 mt-10 -76.23 -39.1 55.41 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 124.714 3.415 . . . . 0.0 113.51 161.502 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -83.01 -51.58 7.43 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 119.779 1.172 . . . . 0.0 112.621 173.821 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.85 12.68 0.36 Allowed 'General case' 0 CA--C 1.558 1.255 0 N-CA-C 116.984 2.216 . . . . 0.0 116.984 163.547 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.553 ' HB1' ' O ' ' A' ' 7' ' ' GLU . . . -67.08 -43.01 83.66 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 117.952 -2.968 . . . . 0.0 114.015 150.215 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 53.6 mttp -61.2 -53.43 57.06 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 114.46 -1.245 . . . . 0.0 114.068 -159.097 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . 0.257 3.2 m-85 61.55 -32.59 0.08 Allowed 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 117.781 2.511 . . . . 0.0 117.781 165.373 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.7 pttt -65.47 -37.93 88.28 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 119.591 1.087 . . . . 0.0 110.581 157.385 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -88.89 65.75 7.7 Favored 'General case' 0 CA--C 1.549 0.924 0 CA-C-O 125.522 2.582 . . . . 0.0 110.409 170.267 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.421 ' O ' ' HB2' ' A' ' 20' ' ' LYS . . . -59.93 -39.26 84.87 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 108.702 -3.863 . . . . 0.0 113.999 -175.85 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 29.8 ttm -67.23 -33.63 75.77 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.085 0.954 . . . . 0.0 112.441 176.049 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 45.0 mt -78.73 -49.07 13.71 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 123.429 0.692 . . . . 0.0 111.681 -178.583 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.06 -32.24 67.84 Favored 'General case' 0 CA--C 1.552 1.041 0 CA-C-N 119.496 1.044 . . . . 0.0 113.722 163.378 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.421 ' HB2' ' O ' ' A' ' 16' ' ' ALA . 0.3 OUTLIER -68.82 -27.15 65.59 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 122.244 2.293 . . . . 0.0 112.775 170.992 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 20.9 m -63.85 -36.25 83.3 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 121.367 1.894 . . . . 0.0 114.026 160.417 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . 0.272 0.1 OUTLIER -50.28 -47.29 55.43 Favored 'General case' 0 N--CA 1.483 1.182 0 CA-C-N 120.149 1.341 . . . . 0.0 111.707 161.892 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.263 3.5 m-30 -74.01 -29.45 61.96 Favored 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 113.828 1.047 . . . . 0.0 113.828 -177.051 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -59.0 -43.44 91.49 Favored 'General case' 0 N--CA 1.476 0.825 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 161.826 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.64 -38.74 90.41 Favored Glycine 0 CA--C 1.532 1.129 0 N-CA-C 115.103 0.801 . . . . 0.0 115.103 173.746 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.36 -36.28 83.17 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 118.259 1.029 . . . . 0.0 113.11 171.802 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -66.87 69.78 0.08 Allowed 'General case' 0 CA--C 1.558 1.276 0 CA-C-O 122.813 1.292 . . . . 0.0 113.335 169.873 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.3 mmm180 -111.83 117.58 33.19 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 119.654 -1.904 . . . . 0.0 112.162 165.033 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -154.91 -40.98 0.09 Allowed 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 114.303 -1.317 . . . . 0.0 114.187 -168.611 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -64.27 -83.9 0.02 OUTLIER 'General case' 0 CA--C 1.552 1.045 0 N-CA-C 116.782 2.141 . . . . 0.0 116.782 -176.235 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -170.16 -39.71 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.075 1.35 . . . . 0.0 113.203 -171.334 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -69.32 152.8 44.55 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 115.751 1.76 . . . . 0.0 115.751 -174.663 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 82.0 p -76.17 142.02 41.69 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.805 174.171 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 17.6 p -64.77 -32.74 74.57 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 113.925 1.083 . . . . 0.0 113.925 -171.496 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -71.21 -29.15 64.8 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-O 117.082 -1.437 . . . . 0.0 114.715 175.544 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -72.2 -42.53 65.68 Favored 'General case' 0 CA--C 1.549 0.939 0 CA-C-N 122.827 2.558 . . . . 0.0 111.026 172.031 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.548 ' O ' HD13 ' A' ' 41' ' ' ILE . 42.8 ttt-85 -63.04 -46.51 87.19 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 114.361 -1.29 . . . . 0.0 110.976 173.933 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -84.19 0.73 47.59 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 116.859 2.17 . . . . 0.0 116.859 171.722 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.63 -27.87 64.39 Favored 'General case' 0 CA--C 1.544 0.739 0 O-C-N 119.372 -2.08 . . . . 0.0 112.649 149.297 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 49.0 mtt180 -76.23 -44.73 36.25 Favored 'General case' 0 CA--C 1.553 1.092 0 N-CA-C 113.801 1.038 . . . . 0.0 113.801 165.541 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.548 HD13 ' O ' ' A' ' 37' ' ' ARG 0.278 3.3 mp -65.37 89.09 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.55 0.953 0 CA-C-O 127.023 3.297 . . . . 0.0 113.505 168.928 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.2 mptt -83.38 -9.02 59.3 Favored 'General case' 0 CA--C 1.543 0.685 1 CA-C-N 107.209 -4.541 . . . . 0.0 116.218 -173.284 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 46.5 mm -58.44 -40.63 79.11 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.847 0 N-CA-C 115.341 1.608 . . . . 0.0 115.341 -158.08 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -176.95 159.86 26.62 Favored Glycine 0 CA--C 1.543 1.825 0 CA-C-O 117.897 -1.502 . . . . 0.0 115.328 174.216 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_exo -50.97 -46.32 31.4 Favored 'Trans proline' 0 C--N 1.361 1.198 0 C-N-CA 125.202 3.935 . . . . 0.0 115.534 175.657 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.23 -24.35 63.07 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 114.533 1.309 . . . . 0.0 114.533 173.263 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.78 -53.1 19.86 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-O 118.179 -0.915 . . . . 0.0 109.979 172.091 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -52.59 -40.76 34.87 Favored 'Isoleucine or valine' 0 C--N 1.351 0.638 0 N-CA-C 114.522 1.304 . . . . 0.0 114.522 167.952 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.53 -46.25 83.69 Favored 'General case' 0 CA--C 1.554 1.122 0 N-CA-C 115.087 1.514 . . . . 0.0 115.087 175.193 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.15 -47.76 80.37 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 120.296 1.407 . . . . 0.0 111.459 167.871 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.435 ' CE2' HD11 ' A' ' 41' ' ' ILE . 2.1 t80 -54.06 -54.39 40.0 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.935 1.294 . . . . 0.0 111.979 175.555 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.0 mmtt -63.43 -40.5 97.34 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 114.776 1.398 . . . . 0.0 114.776 179.143 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.431 ' O ' HD13 ' A' ' 57' ' ' ILE . 65.6 m-20 -56.42 -59.25 5.24 Favored 'General case' 0 C--N 1.352 0.69 0 CA-C-N 119.825 1.193 . . . . 0.0 112.405 170.855 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 19.4 m -60.75 -29.61 69.51 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 114.915 1.45 . . . . 0.0 114.915 175.566 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 43.6 t -57.51 -51.01 71.22 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 121.445 1.93 . . . . 0.0 113.245 165.637 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -63.44 -34.23 77.29 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-O 118.184 -0.912 . . . . 0.0 113.433 175.813 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.431 HD13 ' O ' ' A' ' 53' ' ' ASP . 1.8 mp -60.87 -52.49 61.01 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 CA-C-N 119.973 1.26 . . . . 0.0 113.364 163.684 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -52.49 -45.16 66.05 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 119.767 1.167 . . . . 0.0 114.092 177.196 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 24.3 m-80 -65.14 -42.83 93.44 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 113.644 0.979 . . . . 0.0 113.644 172.239 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -64.68 -43.09 94.66 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 173.978 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 78.3 t -62.12 -40.39 87.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 CA-C-N 119.748 1.158 . . . . 0.0 112.371 172.0 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 6.1 tpm_? -61.57 -35.64 78.36 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-N 119.604 1.093 . . . . 0.0 113.493 170.798 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.98 -37.0 67.19 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 114.048 1.129 . . . . 0.0 114.048 169.407 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 . . . . . 0 CA--C 1.546 0.806 0 CA-C-N 119.76 1.164 . . . . 0.0 113.678 171.486 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 5.3 mp . . . . . 0 N--CA 1.485 1.298 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -57.37 -37.02 71.99 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-O 117.371 -1.3 . . . . 0.0 112.618 174.281 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -70.77 -45.67 64.31 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 122.555 2.434 . . . . 0.0 114.761 172.578 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -73.33 -52.25 14.56 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 121.933 2.151 . . . . 0.0 113.022 177.483 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.24 5.09 2.36 Favored 'General case' 0 CA--C 1.556 1.185 0 N-CA-C 116.928 2.196 . . . . 0.0 116.928 165.381 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.63 -43.77 46.17 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 117.651 -3.156 . . . . 0.0 112.676 150.06 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 38.9 mtmm -76.65 60.81 1.72 Allowed 'General case' 0 CA--C 1.548 0.881 0 CA-C-O 122.852 1.311 . . . . 0.0 112.511 -173.653 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -61.08 -11.44 8.61 Favored 'General case' 0 CA--C 1.548 0.882 0 N-CA-C 115.403 1.631 . . . . 0.0 115.403 176.311 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.9 ttpt -64.73 -37.76 88.71 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 123.999 0.92 . . . . 0.0 111.49 162.717 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -88.48 68.01 8.69 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-O 124.72 2.2 . . . . 0.0 110.184 173.989 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.42 ' O ' ' HB2' ' A' ' 20' ' ' LYS . . . -56.58 -44.71 81.29 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 109.876 -3.329 . . . . 0.0 114.563 -170.463 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 60.9 mtp -67.75 -28.7 67.86 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 113.332 0.864 . . . . 0.0 113.332 176.669 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 70.5 mt -86.9 -42.85 12.87 Favored 'General case' 0 C--O 1.236 0.392 0 O-C-N 121.528 -0.732 . . . . 0.0 112.272 -174.884 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.0 -32.13 73.57 Favored 'General case' 0 CA--C 1.55 0.963 0 O-C-N 121.178 -0.951 . . . . 0.0 113.05 161.277 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.42 ' HB2' ' O ' ' A' ' 16' ' ' ALA . 0.7 OUTLIER -70.67 -24.18 62.64 Favored 'General case' 0 CA--C 1.549 0.909 0 CA-C-N 122.497 2.408 . . . . 0.0 112.328 171.202 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.7 t -65.95 -39.12 90.18 Favored 'General case' 0 CA--C 1.549 0.938 0 CA-C-N 119.482 1.037 . . . . 0.0 113.202 164.253 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -47.63 -53.17 15.54 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.101 0.56 . . . . 0.0 110.974 158.891 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.432 ' O ' ' HD2' ' A' ' 27' ' ' TYR 0.281 4.3 m-30 -72.75 -22.58 60.83 Favored 'General case' 0 CA--C 1.552 1.04 0 N-CA-C 114.266 1.209 . . . . 0.0 114.266 -175.975 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -58.35 -46.47 86.21 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 120.076 1.307 . . . . 0.0 112.975 158.085 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.46 -41.9 99.65 Favored Glycine 0 CA--C 1.533 1.199 0 N-CA-C 115.104 0.802 . . . . 0.0 115.104 172.475 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.44 -43.44 97.4 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 113.499 0.926 . . . . 0.0 113.499 174.044 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.432 ' HD2' ' O ' ' A' ' 23' ' ' TYR . 58.9 m-85 -72.57 72.24 1.0 Allowed 'General case' 0 CA--C 1.549 0.931 0 CA-C-O 123.267 1.508 . . . . 0.0 113.547 172.539 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 60.0 ttt-85 -95.31 122.88 38.48 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 114.709 -1.132 . . . . 0.0 110.167 166.953 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -86.4 -92.08 0.1 Allowed 'General case' 0 CA--C 1.545 0.772 0 CA-C-O 118.521 -0.752 . . . . 0.0 112.789 -166.251 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -79.91 -77.11 0.19 Allowed 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 120.708 1.594 . . . . 0.0 113.178 -176.361 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -162.87 37.97 0.1 Allowed 'General case' 0 CA--C 1.556 1.183 0 C-N-CA 124.424 1.09 . . . . 0.0 111.901 175.424 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 24.8 pm0 -72.26 159.52 33.93 Favored 'General case' 0 CA--C 1.55 0.959 0 O-C-N 120.527 -1.358 . . . . 0.0 114.334 173.511 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.456 ' O ' ' HG2' ' A' ' 36' ' ' GLU . 63.6 p -85.4 138.94 31.93 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 119.934 -1.729 . . . . 0.0 110.617 173.549 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 72.7 m -63.29 -40.72 98.17 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -179.752 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -76.0 -10.01 59.07 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 115.2 1.556 . . . . 0.0 115.2 -178.406 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.456 ' HG2' ' O ' ' A' ' 33' ' ' THR . 8.8 pt-20 -73.15 -46.98 47.78 Favored 'General case' 0 CA--C 1.551 0.99 0 CA-C-N 123.029 2.65 . . . . 0.0 110.743 163.26 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.496 ' O ' HD13 ' A' ' 41' ' ' ILE . 64.7 mtm180 -62.69 -50.12 72.42 Favored 'General case' 0 C--N 1.344 0.354 0 CA-C-N 114.572 -1.194 . . . . 0.0 110.428 173.809 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -90.41 15.73 10.11 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 115.577 1.695 . . . . 0.0 115.577 175.794 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.41 -54.82 19.95 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 119.523 -1.986 . . . . 0.0 110.383 136.348 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 48.7 tpt85 -64.89 -45.99 83.64 Favored 'General case' 0 CA--C 1.558 1.253 0 N-CA-C 115.167 1.543 . . . . 0.0 115.167 176.637 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.496 HD13 ' O ' ' A' ' 37' ' ' ARG . 3.2 mp -67.28 90.79 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.664 0 CA-C-O 126.575 3.083 . . . . 0.0 111.742 166.63 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.27 42.31 3.1 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-N 109.007 -3.724 . . . . 0.0 112.859 177.975 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 67.5 mt -73.68 -37.85 50.21 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.866 0 O-C-N 121.042 -1.036 . . . . 0.0 111.89 179.66 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -168.38 161.02 34.74 Favored Glycine 0 CA--C 1.547 2.057 0 CA-C-O 118.319 -1.267 . . . . 0.0 115.406 175.216 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_exo -53.51 -48.34 22.47 Favored 'Trans proline' 0 C--N 1.361 1.201 0 C-N-CA 124.954 3.769 . . . . 0.0 115.277 173.279 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.29 -32.57 72.41 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.951 0.901 . . . . 0.0 113.324 172.936 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 15.2 t -65.66 -60.26 3.09 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 117.457 -1.259 . . . . 0.0 109.932 175.262 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -51.26 -39.68 21.46 Favored 'Isoleucine or valine' 0 C--N 1.353 0.731 0 CA-C-N 120.466 1.485 . . . . 0.0 114.598 173.464 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.5 tptp -66.9 -50.2 63.19 Favored 'General case' 0 CA--C 1.553 1.07 0 CA-C-O 117.215 -1.374 . . . . 0.0 114.556 174.963 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.31 -47.86 65.71 Favored 'General case' 0 N--CA 1.482 1.137 0 CA-C-N 120.789 1.631 . . . . 0.0 111.058 168.503 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.421 ' CE2' HD11 ' A' ' 41' ' ' ILE . 2.7 t80 -54.28 -54.83 34.9 Favored 'General case' 0 C--N 1.35 0.62 0 C-N-CA 125.304 1.441 . . . . 0.0 112.152 176.525 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 52.9 tptt -65.46 -34.86 79.28 Favored 'General case' 0 CA--C 1.552 1.036 0 N-CA-C 113.664 0.987 . . . . 0.0 113.664 179.72 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -64.75 -50.37 67.11 Favored 'General case' 0 CA--C 1.551 0.999 0 O-C-N 120.452 -1.405 . . . . 0.0 113.188 173.203 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 9.8 m -63.29 -27.55 69.41 Favored 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 114.562 1.319 . . . . 0.0 114.562 170.106 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 47.4 t -59.79 -42.28 93.03 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 120.323 1.42 . . . . 0.0 113.014 163.892 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -59.05 -37.28 76.62 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-O 117.938 -1.03 . . . . 0.0 113.486 167.527 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 25.4 mm -59.13 -51.96 66.37 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.312 0 CA-C-N 121.268 1.849 . . . . 0.0 113.806 164.492 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.02 -40.15 66.77 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 176.414 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -67.78 -42.04 82.28 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 114.443 1.275 . . . . 0.0 114.443 169.905 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -60.29 -46.21 90.65 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 120.404 1.456 . . . . 0.0 112.857 170.298 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 91.3 t -61.86 -38.27 80.17 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.856 0 CA-C-N 119.421 1.01 . . . . 0.0 112.804 173.487 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 4.4 tpp180 -61.75 -39.89 93.2 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 113.236 0.828 . . . . 0.0 113.236 172.279 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.75 -49.46 20.89 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 113.851 1.056 . . . . 0.0 113.851 172.48 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 . . . . . 0 CA--C 1.551 1.019 0 CA-C-O 122.985 1.374 . . . . 0.0 113.921 -177.233 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.0 mp . . . . . 0 N--CA 1.482 1.136 0 CA-C-O 118.163 -0.922 . . . . 0.0 109.666 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -56.13 -57.66 11.22 Favored 'General case' 0 C--N 1.35 0.602 0 CA-C-O 115.706 -2.093 . . . . 0.0 112.297 176.101 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.422 ' O ' ' HG3' ' A' ' 12' ' ' LYS 0.356 1.4 pp20? -69.73 -14.93 63.04 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 124.676 3.398 . . . . 0.0 115.077 -179.548 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.08 -61.95 1.63 Allowed 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 125.355 3.707 . . . . 0.0 113.419 163.039 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.3 -2.08 4.05 Favored 'General case' 0 CA--C 1.555 1.163 0 N-CA-C 117.384 2.364 . . . . 0.0 117.384 175.218 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -84.12 -28.51 27.42 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 124.053 3.115 . . . . 0.0 114.781 156.612 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.422 ' HG3' ' O ' ' A' ' 8' ' ' GLU . 42.4 mttp -68.69 -51.11 45.3 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 120.168 1.349 . . . . 0.0 112.886 -176.601 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 63.13 -31.77 0.1 Allowed 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 126.536 1.934 . . . . 0.0 116.174 -177.755 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.8 mttp -61.33 -37.53 83.63 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 126.64 1.976 . . . . 0.0 112.367 168.59 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 6.7 m-30 -76.49 65.34 2.33 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-O 123.877 1.799 . . . . 0.0 111.176 165.343 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.53 -47.09 82.94 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 111.623 -2.535 . . . . 0.0 116.074 -166.479 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 47.8 mtm -69.89 -33.35 72.1 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.407 1.083 . . . . 0.0 113.394 177.747 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 24.5 mt -77.68 -45.48 24.78 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-O 121.418 0.627 . . . . 0.0 111.439 -177.006 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.49 -38.09 76.89 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 163.597 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.2 ttpp -62.39 -39.76 94.27 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 121.016 1.735 . . . . 0.0 111.151 169.823 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 12.7 m -54.25 -41.64 69.0 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 122.693 2.497 . . . . 0.0 114.116 167.408 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -48.62 -53.96 16.48 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 118.892 0.769 . . . . 0.0 111.69 164.792 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.259 7.4 m-30 -74.11 -25.38 59.75 Favored 'General case' 0 CA--C 1.55 0.974 0 N-CA-C 114.412 1.264 . . . . 0.0 114.412 -175.117 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -61.93 -36.72 82.23 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.251 1.02 . . . . 0.0 113.319 161.858 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.4 -44.38 65.24 Favored Glycine 0 CA--C 1.534 1.244 0 CA-C-O 119.305 -0.72 . . . . 0.0 114.714 168.435 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.33 -33.39 75.43 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 114.394 1.257 . . . . 0.0 114.394 176.375 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -82.04 61.79 5.49 Favored 'General case' 0 CA--C 1.551 0.988 0 O-C-N 120.595 -1.315 . . . . 0.0 113.455 167.83 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 58.6 ttt180 -94.01 145.51 24.61 Favored 'General case' 0 CA--C 1.549 0.922 0 O-C-N 121.37 -0.831 . . . . 0.0 111.923 170.095 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -98.2 151.39 20.48 Favored 'General case' 0 CA--C 1.545 0.781 0 O-C-N 121.368 -0.833 . . . . 0.0 110.828 177.565 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -68.91 44.14 0.04 OUTLIER 'General case' 0 CA--C 1.556 1.201 0 N-CA-C 115.869 1.804 . . . . 0.0 115.869 -176.988 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -154.54 -68.42 0.13 Allowed 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.102 1.361 . . . . 0.0 112.592 -174.148 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -66.79 151.72 46.93 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 116.055 1.872 . . . . 0.0 116.055 174.524 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 71.4 p -94.42 137.95 32.95 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 114.28 -1.327 . . . . 0.0 110.038 170.543 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.1 p -60.12 -27.36 66.98 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 114.439 1.274 . . . . 0.0 114.439 -176.777 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 56.6 mp0 -65.4 -25.1 67.4 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.544 1.137 . . . . 0.0 113.886 176.954 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -66.76 -55.84 13.19 Favored 'General case' 0 CA--C 1.547 0.849 0 CA-C-N 121.094 1.77 . . . . 0.0 111.011 173.192 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.543 ' O ' HD13 ' A' ' 41' ' ' ILE . 45.6 mtm180 -58.14 -49.19 77.83 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 113.05 -1.887 . . . . 0.0 111.658 172.976 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -84.28 2.33 40.61 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 116.429 2.011 . . . . 0.0 116.429 178.011 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.97 -33.21 71.78 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 119.677 -1.89 . . . . 0.0 112.305 147.603 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 81.3 mtp180 -78.91 -43.27 25.15 Favored 'General case' 0 CA--C 1.555 1.168 0 N-CA-C 115.54 1.681 . . . . 0.0 115.54 167.085 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.543 HD13 ' O ' ' A' ' 37' ' ' ARG 0.296 3.3 mp -63.99 90.22 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.549 0.94 0 CA-C-O 126.836 3.208 . . . . 0.0 114.298 171.136 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -98.71 13.29 32.75 Favored 'General case' 0 CA--C 1.546 0.825 1 CA-C-N 107.327 -4.488 . . . . 0.0 115.758 -177.002 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 47.8 mm -64.82 -37.28 79.76 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.918 0 O-C-N 120.899 -1.125 . . . . 0.0 113.815 -170.312 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -176.08 160.03 27.72 Favored Glycine 0 CA--C 1.544 1.887 0 CA-C-O 117.912 -1.494 . . . . 0.0 114.845 173.056 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_exo -52.59 -49.49 17.31 Favored 'Trans proline' 0 C--N 1.36 1.181 0 C-N-CA 124.889 3.726 . . . . 0.0 115.528 175.662 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 23.8 tttm -73.43 -18.67 61.11 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 123.32 0.648 . . . . 0.0 112.588 178.088 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.66 -55.95 8.6 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.141 0.976 . . . . 0.0 109.915 168.936 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -52.32 -39.56 28.49 Favored 'Isoleucine or valine' 0 C--N 1.353 0.733 0 N-CA-C 114.726 1.38 . . . . 0.0 114.726 170.487 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -63.43 -51.08 67.23 Favored 'General case' 0 CA--C 1.551 1.0 0 N-CA-C 114.497 1.295 . . . . 0.0 114.497 171.816 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.17 -47.75 62.09 Favored 'General case' 0 N--CA 1.483 1.182 0 CA-C-N 121.578 1.99 . . . . 0.0 110.684 169.307 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.443 ' CE2' HD11 ' A' ' 41' ' ' ILE . 2.2 t80 -54.85 -57.58 11.02 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.281 1.432 . . . . 0.0 112.732 175.687 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 47.8 tptt -65.58 -36.78 84.76 Favored 'General case' 0 CA--C 1.55 0.959 0 N-CA-C 114.064 1.135 . . . . 0.0 114.064 -178.045 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -71.45 -42.49 68.11 Favored 'General case' 0 CA--C 1.549 0.904 0 O-C-N 120.046 -1.659 . . . . 0.0 113.711 175.507 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 2.2 m -61.34 -32.64 72.53 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 113.968 1.099 . . . . 0.0 113.968 165.549 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 47.7 t -59.89 -41.54 91.83 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 120.463 1.483 . . . . 0.0 113.674 166.586 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -54.06 -48.72 70.31 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 119.685 1.13 . . . . 0.0 112.614 167.117 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 24.6 mm -58.55 -47.5 88.27 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 N-CA-C 113.3 0.852 . . . . 0.0 113.3 172.752 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.05 -49.78 68.22 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 123.822 0.849 . . . . 0.0 113.24 173.649 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.03 -36.18 83.53 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 113.083 0.772 . . . . 0.0 113.083 176.25 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -66.53 -40.91 89.37 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 119.827 1.194 . . . . 0.0 113.491 171.097 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 92.5 t -64.58 -53.25 44.75 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.726 0 CA-C-N 119.212 0.914 . . . . 0.0 112.194 171.82 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? -65.61 -16.99 64.26 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 114.998 1.481 . . . . 0.0 114.998 -177.764 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.83 -28.9 67.15 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 113.937 1.088 . . . . 0.0 113.937 166.451 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 . . . . . 0 CA--C 1.545 0.773 0 N-CA-C 114.182 1.179 . . . . 0.0 114.182 178.341 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 5.3 mp . . . . . 0 N--CA 1.484 1.242 0 CA-C-O 119.739 -0.172 . . . . 0.0 110.538 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -57.27 -48.65 78.34 Favored 'General case' 0 C--N 1.344 0.348 0 CA-C-O 114.989 -2.434 . . . . 0.0 112.742 178.772 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -83.51 -24.99 31.45 Favored 'General case' 0 CA--C 1.549 0.924 0 CA-C-N 125.976 3.989 . . . . 0.0 115.451 175.679 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -73.99 -32.73 63.54 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 122.508 2.413 . . . . 0.0 112.685 175.447 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.71 -87.74 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.863 0 CA-C-O 116.966 -1.492 . . . . 0.0 114.809 147.59 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.51 -20.65 8.16 Favored 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 119.296 3.073 . . . . 0.0 119.296 -149.874 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.3 ttmt -69.82 -28.02 65.36 Favored 'General case' 0 CA--C 1.55 0.959 0 CA-C-N 119.076 0.853 . . . . 0.0 111.754 173.627 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 22.2 m-30 54.96 1.26 0.04 OUTLIER 'General case' 0 CA--C 1.551 0.983 0 N-CA-C 118.89 2.922 . . . . 0.0 118.89 171.305 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 31.3 mmtm -65.02 -48.45 73.86 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 120.76 1.618 . . . . 0.0 111.569 176.026 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -81.6 62.44 5.45 Favored 'General case' 0 CA--C 1.553 1.068 0 CA-C-O 123.246 1.498 . . . . 0.0 112.203 167.516 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.4 -40.89 83.62 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 115.748 1.758 . . . . 0.0 115.748 -174.176 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -68.62 -26.13 65.2 Favored 'General case' 0 CA--C 1.546 0.827 0 N-CA-C 113.391 0.886 . . . . 0.0 113.391 175.117 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 59.5 mt -86.65 -38.45 17.03 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 121.434 -0.792 . . . . 0.0 111.628 179.763 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.6 tmtt? -52.86 -44.2 66.65 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 114.42 1.267 . . . . 0.0 114.42 154.935 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -66.74 -25.2 66.39 Favored 'General case' 0 CA--C 1.557 1.226 0 O-C-N 119.695 -1.878 . . . . 0.0 112.139 173.418 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 7.2 t -68.43 -38.55 81.29 Favored 'General case' 0 CA--C 1.553 1.094 0 O-C-N 120.49 -1.382 . . . . 0.0 113.979 165.183 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.2 t -47.0 -51.13 17.92 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 119.122 0.873 . . . . 0.0 110.519 159.279 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.314 6.7 m-30 -74.42 -21.37 59.66 Favored 'General case' 0 CA--C 1.551 0.998 0 N-CA-C 114.611 1.337 . . . . 0.0 114.611 -176.351 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -58.3 -45.32 88.21 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 119.901 1.228 . . . . 0.0 113.237 155.734 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.59 -45.99 95.27 Favored Glycine 0 CA--C 1.533 1.206 0 N-CA-C 114.747 0.659 . . . . 0.0 114.747 171.478 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.06 -39.92 91.68 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 175.06 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 36.4 m-85 -69.89 75.2 0.46 Allowed 'General case' 0 CA--C 1.549 0.914 0 CA-C-O 122.991 1.377 . . . . 0.0 113.472 168.828 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 67.6 ttt-85 -99.96 116.97 33.24 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-O 121.998 0.904 . . . . 0.0 109.72 165.973 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -105.27 -76.57 0.6 Allowed 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.287 -157.634 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -72.45 -82.52 0.05 OUTLIER 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 124.25 1.02 . . . . 0.0 112.432 176.954 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -165.63 63.44 0.11 Allowed 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 125.704 1.602 . . . . 0.0 108.656 162.122 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -67.88 138.39 56.0 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 115.028 1.492 . . . . 0.0 115.028 -178.067 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.5 p -77.33 114.43 16.14 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-O 122.021 0.915 . . . . 0.0 111.257 170.282 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 93.7 m -56.77 -49.51 75.06 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 114.437 1.273 . . . . 0.0 114.437 -166.744 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.07 -30.47 67.72 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 114.299 1.222 . . . . 0.0 114.299 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -71.68 -46.63 58.26 Favored 'General case' 0 C--O 1.243 0.754 0 CA-C-N 121.456 1.935 . . . . 0.0 111.965 172.748 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.562 ' O ' HD13 ' A' ' 41' ' ' ILE . 27.3 ttp180 -57.81 -51.73 68.4 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 114.825 -1.079 . . . . 0.0 110.822 172.105 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -82.75 -0.98 50.17 Favored 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 116.985 2.217 . . . . 0.0 116.985 176.26 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.61 -38.04 86.13 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 119.402 -2.061 . . . . 0.0 112.166 150.942 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 56.3 mtt85 -71.66 -37.56 70.79 Favored 'General case' 0 CA--C 1.551 1.018 0 N-CA-C 114.39 1.256 . . . . 0.0 114.39 169.932 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.562 HD13 ' O ' ' A' ' 37' ' ' ARG 0.308 3.4 mp -72.55 84.37 0.4 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.951 0 CA-C-O 127.119 3.342 . . . . 0.0 113.4 167.626 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 29.7 mmtm -91.34 7.38 41.25 Favored 'General case' 0 CA--C 1.544 0.748 1 CA-C-N 107.152 -4.567 . . . . 0.0 116.288 -175.466 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 46.8 mm -66.05 -35.65 75.56 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.893 0 N-CA-C 113.992 1.108 . . . . 0.0 113.992 -168.146 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -173.81 156.53 24.02 Favored Glycine 0 CA--C 1.546 1.993 0 CA-C-O 117.738 -1.59 . . . . 0.0 115.16 173.476 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_exo -52.36 -46.92 29.73 Favored 'Trans proline' 0 C--N 1.361 1.2 0 C-N-CA 124.933 3.755 . . . . 0.0 115.671 174.929 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 49.9 tttm -71.42 -25.57 62.39 Favored 'General case' 0 CA--C 1.551 0.984 0 N-CA-C 112.813 0.672 . . . . 0.0 112.813 177.042 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 17.8 t -64.7 -59.0 4.75 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-O 117.425 -1.274 . . . . 0.0 109.384 169.846 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -49.02 -41.77 13.89 Favored 'Isoleucine or valine' 0 C--N 1.354 0.799 0 CA-C-N 120.21 1.368 . . . . 0.0 114.477 171.351 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -61.99 -54.42 41.91 Favored 'General case' 0 CA--C 1.558 1.277 0 N-CA-C 115.442 1.645 . . . . 0.0 115.442 174.979 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.08 -47.62 68.38 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 124.719 1.207 . . . . 0.0 110.555 169.096 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.436 ' CE2' HD11 ' A' ' 41' ' ' ILE . 2.8 t80 -54.31 -54.93 33.72 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.264 1.426 . . . . 0.0 112.559 175.396 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 59.3 tttm -56.74 -46.9 81.09 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.504 1.522 . . . . 0.0 112.972 -179.462 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -66.46 -47.26 73.66 Favored 'General case' 0 CA--C 1.552 1.044 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 178.667 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.8 m -61.08 -34.49 75.0 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 114.624 1.342 . . . . 0.0 114.624 169.353 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -65.72 -33.54 76.12 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 120.506 1.503 . . . . 0.0 112.748 172.607 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -58.81 -48.84 79.9 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 119.278 0.944 . . . . 0.0 112.4 163.862 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 23.2 mm -60.05 -41.23 85.66 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 N-CA-C 114.097 1.147 . . . . 0.0 114.097 174.478 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.23 -50.26 69.9 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.544 0.738 . . . . 0.0 112.824 171.63 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -61.88 -40.52 95.7 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 171.566 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -60.76 -52.6 64.4 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-O 117.205 -1.379 . . . . 0.0 114.063 172.233 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 34.0 m -66.61 -29.7 47.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 CA-C-N 121.825 2.102 . . . . 0.0 114.129 179.558 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 52.1 mtp85 -69.29 -34.37 74.6 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 114.032 1.123 . . . . 0.0 114.032 168.384 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -81.43 -51.38 8.37 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 119.84 1.2 . . . . 0.0 113.893 172.139 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 . . . . . 0 CA--C 1.55 0.957 0 CA-C-O 123.205 1.478 . . . . 0.0 112.37 -177.081 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.7 mp . . . . . 0 N--CA 1.481 1.125 0 CA-C-O 118.73 -0.652 . . . . 0.0 110.448 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.72 -31.38 66.36 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-O 116.986 -1.483 . . . . 0.0 113.679 -175.486 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -85.12 -43.75 13.59 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-N 123.416 2.826 . . . . 0.0 114.981 167.938 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 47.0 mm-40 -89.24 14.03 11.94 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 123.861 3.028 . . . . 0.0 113.988 178.143 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.443 ' O ' ' HD1' ' A' ' 13' ' ' TYR . . . -86.54 -71.84 0.53 Allowed 'General case' 0 CA--C 1.549 0.914 0 O-C-N 118.846 -2.409 . . . . 0.0 116.538 124.633 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.44 -14.36 40.06 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 119.115 3.006 . . . . 0.0 119.115 -157.963 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 68.3 mttt -64.6 -39.44 93.72 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 121.985 2.175 . . . . 0.0 112.733 168.844 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.443 ' HD1' ' O ' ' A' ' 10' ' ' ALA . 0.2 OUTLIER 44.5 24.04 0.09 Allowed 'General case' 0 CA--C 1.553 1.058 0 N-CA-C 118.579 2.807 . . . . 0.0 118.579 178.999 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 31.8 mmtm -78.01 -56.13 4.74 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.317 1.047 . . . . 0.0 111.15 172.026 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.44 ' O ' ' HD3' ' A' ' 19' ' ' LYS . 47.6 m-85 -85.53 70.86 10.8 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-O 124.418 2.056 . . . . 0.0 110.251 170.05 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.29 -36.1 65.8 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 110.723 -2.944 . . . . 0.0 114.539 -171.763 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 35.9 ttm -64.34 -32.94 74.75 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 124.568 1.147 . . . . 0.0 113.283 174.279 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 69.7 mt -86.82 -36.46 18.5 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 120.897 -1.127 . . . . 0.0 112.263 -177.622 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.44 ' HD3' ' O ' ' A' ' 15' ' ' TYR . 10.2 mptt -59.72 -38.61 82.16 Favored 'General case' 0 CA--C 1.563 1.479 0 N-CA-C 113.361 0.875 . . . . 0.0 113.361 159.608 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.91 -30.69 70.08 Favored 'General case' 0 CA--C 1.555 1.138 0 O-C-N 118.815 -2.428 . . . . 0.0 111.684 167.456 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.444 ' O ' ' HD1' ' A' ' 51' ' ' PHE . 10.2 t -58.33 -39.56 79.76 Favored 'General case' 0 CA--C 1.553 1.092 0 CA-C-N 121.792 2.087 . . . . 0.0 112.561 164.823 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -46.6 -57.03 5.16 Favored 'General case' 0 N--CA 1.485 1.281 0 CA-C-N 120.029 1.286 . . . . 0.0 110.834 159.062 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.311 9.8 m-30 -69.97 -25.21 63.51 Favored 'General case' 0 CA--C 1.555 1.149 0 N-CA-C 115.698 1.74 . . . . 0.0 115.698 -174.577 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -65.57 -28.05 68.87 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 114.983 1.475 . . . . 0.0 114.983 160.799 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -78.09 -32.38 44.32 Favored Glycine 0 CA--C 1.534 1.266 0 CA-C-N 119.043 0.838 . . . . 0.0 114.559 167.267 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.68 -50.03 54.25 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 118.512 1.156 . . . . 0.0 113.884 174.554 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -78.52 59.36 2.4 Favored 'General case' 0 CA--C 1.553 1.069 0 CA-C-N 120.06 1.3 . . . . 0.0 114.022 -179.34 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 21.9 mmt180 -114.32 113.39 24.51 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 114.811 1.412 . . . . 0.0 114.811 -177.181 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -66.88 152.14 46.22 Favored 'General case' 0 CA--C 1.551 1.005 0 N-CA-C 115.854 1.798 . . . . 0.0 115.854 179.156 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -57.01 -23.77 48.73 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 118.194 2.665 . . . . 0.0 118.194 -160.811 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -69.27 -30.94 69.16 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 175.556 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -74.81 114.75 13.61 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 179.034 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.3 p -80.58 99.01 7.89 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-O 123.418 1.58 . . . . 0.0 109.109 168.872 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -64.13 -46.66 83.13 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 112.557 -2.111 . . . . 0.0 113.973 -157.532 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.9 pm0 -69.09 -29.76 67.92 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 113.985 1.106 . . . . 0.0 113.985 -178.961 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.4 mp0 -64.41 -53.27 51.06 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-O 122.696 1.236 . . . . 0.0 111.81 172.687 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.578 ' O ' HG13 ' A' ' 41' ' ' ILE . 52.1 mtt85 -62.02 -48.1 81.81 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 113.759 -1.564 . . . . 0.0 111.511 173.561 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.46 -5.69 46.33 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 122.557 2.435 . . . . 0.0 117.071 175.175 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.29 -41.04 86.1 Favored 'General case' 0 CA--C 1.546 0.818 0 O-C-N 119.597 -1.939 . . . . 0.0 112.236 151.887 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 -77.07 -17.5 58.7 Favored 'General case' 0 CA--C 1.556 1.183 0 N-CA-C 115.85 1.796 . . . . 0.0 115.85 172.011 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.578 HG13 ' O ' ' A' ' 37' ' ' ARG 0.32 62.5 mt -79.17 74.9 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 CA-C-O 126.871 3.224 . . . . 0.0 113.283 -179.858 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -95.96 37.87 1.21 Allowed 'General case' 0 CA--C 1.548 0.878 0 CA-C-N 109.308 -3.587 . . . . 0.0 114.053 -175.016 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 95.4 mt -74.53 -49.86 29.13 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.781 0 O-C-N 121.459 -0.776 . . . . 0.0 112.612 179.301 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -156.66 138.4 5.92 Favored Glycine 0 CA--C 1.544 1.874 0 CA-C-O 115.917 -2.602 . . . . 0.0 113.539 -179.825 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -50.55 -53.26 7.42 Favored 'Trans proline' 0 C--N 1.361 1.233 0 CA-C-N 124.184 3.992 . . . . 0.0 117.03 -178.209 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 39.5 mttm -63.13 -33.67 75.95 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 113.812 1.041 . . . . 0.0 113.812 172.8 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 3.6 t -64.26 -63.3 1.18 Allowed 'General case' 0 C--N 1.348 0.51 0 CA-C-O 115.461 -2.209 . . . . 0.0 108.064 176.122 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -49.23 -44.9 17.55 Favored 'Isoleucine or valine' 0 C--N 1.357 0.92 0 CA-C-N 122.359 2.345 . . . . 0.0 115.164 172.449 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -55.3 -61.78 2.11 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-N 121.284 1.856 . . . . 0.0 113.153 175.42 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.21 -51.05 63.39 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 123.946 0.898 . . . . 0.0 111.193 175.309 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.444 ' HD1' ' O ' ' A' ' 21' ' ' CYS . 62.5 t80 -58.89 -50.6 73.41 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 114.844 1.424 . . . . 0.0 114.844 178.555 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 20.1 pttp -66.26 -35.86 81.5 Favored 'General case' 0 CA--C 1.551 0.984 0 CA-C-N 119.958 1.253 . . . . 0.0 111.476 -178.929 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 48.4 m-20 -71.45 -40.77 70.13 Favored 'General case' 0 CA--C 1.547 0.864 0 O-C-N 121.463 -0.773 . . . . 0.0 111.666 178.679 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 4.6 m -63.71 -31.15 72.23 Favored 'General case' 0 CA--C 1.553 1.089 0 N-CA-C 114.82 1.415 . . . . 0.0 114.82 164.861 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 3.2 m -56.71 -41.27 77.14 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 122.098 2.227 . . . . 0.0 113.767 162.279 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -56.75 -44.97 82.26 Favored 'General case' 0 CA--C 1.549 0.922 0 CA-C-O 117.88 -1.057 . . . . 0.0 112.438 167.01 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 30.6 mm -56.86 -48.34 81.47 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 CA-C-N 120.757 1.617 . . . . 0.0 113.921 167.997 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.3 -48.67 71.04 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 173.442 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -65.85 -35.79 81.65 Favored 'General case' 0 CA--C 1.549 0.923 0 N-CA-C 113.714 1.005 . . . . 0.0 113.714 173.724 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -60.1 -46.38 89.8 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 119.481 1.037 . . . . 0.0 112.244 169.354 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 87.9 t -62.6 -39.25 83.9 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.858 0 CA-C-N 119.14 0.882 . . . . 0.0 112.913 172.878 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -60.23 -40.4 90.07 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 119.842 1.201 . . . . 0.0 113.543 170.834 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.4 -52.24 11.22 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 173.679 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 . . . . . 0 CA--C 1.552 1.02 0 CA-C-O 123.751 1.739 . . . . 0.0 112.56 -176.102 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.3 mp . . . . . 0 N--CA 1.484 1.248 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.49 -51.85 68.13 Favored 'General case' 0 C--O 1.218 -0.572 0 CA-C-O 115.23 -2.319 . . . . 0.0 112.823 173.556 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -60.03 -37.94 81.25 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 125.888 3.949 . . . . 0.0 115.473 178.465 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -77.92 -55.48 5.27 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 122.239 2.291 . . . . 0.0 113.49 172.841 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.83 1.46 6.97 Favored 'General case' 0 CA--C 1.556 1.196 0 N-CA-C 118.212 2.671 . . . . 0.0 118.212 171.394 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.54 -46.19 13.69 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 124.689 3.404 . . . . 0.0 114.67 158.884 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.9 mtmp? -62.46 -43.54 98.57 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 114.937 1.458 . . . . 0.0 114.937 -171.75 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 64.6 -20.88 0.07 Allowed 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 116.874 2.175 . . . . 0.0 116.874 175.739 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -61.37 -39.68 91.54 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 120.891 1.678 . . . . 0.0 111.537 166.594 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -80.18 61.0 3.86 Favored 'General case' 0 CA--C 1.549 0.928 0 CA-C-O 123.225 1.488 . . . . 0.0 111.108 167.665 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.72 -45.17 95.28 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 113.304 -1.771 . . . . 0.0 114.702 -172.617 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 11.3 tpt -66.19 -30.02 70.4 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.015 0.926 . . . . 0.0 112.537 175.394 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 53.6 mt -84.62 -39.72 18.33 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.309 -0.869 . . . . 0.0 111.863 -177.243 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.4 tmtt? -60.08 -39.11 84.97 Favored 'General case' 0 CA--C 1.552 1.029 0 O-C-N 121.106 -0.996 . . . . 0.0 113.609 159.259 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -67.19 -28.15 67.86 Favored 'General case' 0 CA--C 1.552 1.038 0 O-C-N 119.29 -2.131 . . . . 0.0 111.856 170.431 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.7 t -64.04 -38.15 90.02 Favored 'General case' 0 CA--C 1.551 0.989 0 O-C-N 120.257 -1.527 . . . . 0.0 113.692 166.011 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -48.54 -54.69 13.45 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-N 118.982 0.81 . . . . 0.0 110.987 159.601 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.424 ' O ' ' HD2' ' A' ' 27' ' ' TYR 0.281 6.8 m-30 -73.44 -23.43 60.11 Favored 'General case' 0 CA--C 1.552 1.023 0 N-CA-C 114.343 1.238 . . . . 0.0 114.343 -174.601 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -58.35 -48.31 80.97 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.702 1.201 . . . . 0.0 111.422 159.687 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.81 -37.3 94.62 Favored Glycine 0 CA--C 1.534 1.234 0 N-CA-C 115.339 0.896 . . . . 0.0 115.339 171.737 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.59 -41.07 93.95 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 118.468 1.134 . . . . 0.0 112.975 170.228 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.424 ' HD2' ' O ' ' A' ' 23' ' ' TYR . 59.6 m-85 -72.65 72.45 1.03 Allowed 'General case' 0 CA--C 1.552 1.035 0 CA-C-O 123.348 1.547 . . . . 0.0 113.582 168.46 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.8 tpt85 -70.89 109.55 5.11 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 124.207 1.003 . . . . 0.0 111.077 168.791 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 12.4 p30 -136.29 -115.77 0.17 Allowed 'General case' 0 CA--C 1.551 0.999 0 O-C-N 120.212 -1.555 . . . . 0.0 113.884 -169.724 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -76.67 55.46 1.05 Allowed 'General case' 0 CA--C 1.549 0.923 0 CA-C-N 121.665 2.03 . . . . 0.0 113.195 -175.765 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -139.93 149.11 42.93 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.083 0.953 . . . . 0.0 113.343 -176.121 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -73.74 -57.66 3.83 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 122.883 0.473 . . . . 0.0 110.453 173.238 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 12.4 t -143.79 165.05 28.75 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-O 122.023 0.916 . . . . 0.0 113.215 179.973 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 75.1 m -58.41 -54.65 44.63 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.767 1.627 . . . . 0.0 114.292 -169.932 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -75.05 -6.63 50.48 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 114.11 1.152 . . . . 0.0 114.11 -178.058 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -78.59 -54.51 6.06 Favored 'General case' 0 CA--C 1.546 0.815 0 O-C-N 120.85 -1.156 . . . . 0.0 110.572 168.068 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.54 ' O ' HD13 ' A' ' 41' ' ' ILE . 18.5 ttp180 -64.64 -40.44 95.47 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-O 118.84 -0.6 . . . . 0.0 110.796 172.831 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . 0.268 . . -87.51 10.08 18.88 Favored 'General case' 0 CA--C 1.551 0.993 0 N-CA-C 116.568 2.062 . . . . 0.0 116.568 170.87 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.57 -39.09 74.12 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 119.162 -2.211 . . . . 0.0 111.883 142.871 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 63.9 mtt85 -70.16 -44.18 69.33 Favored 'General case' 0 CA--C 1.552 1.056 0 N-CA-C 114.087 1.143 . . . . 0.0 114.087 169.738 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.54 HD13 ' O ' ' A' ' 37' ' ' ARG 0.28 3.3 mp -68.75 86.48 0.16 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.959 0 CA-C-O 126.902 3.239 . . . . 0.0 113.268 167.417 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 29.2 mmtm -92.6 2.41 56.72 Favored 'General case' 0 CA--C 1.545 0.757 1 CA-C-N 107.218 -4.537 . . . . 0.0 116.528 -175.7 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 72.7 mt -64.07 -35.39 73.49 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.963 0 N-CA-C 114.58 1.326 . . . . 0.0 114.58 -163.671 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -177.48 168.67 40.44 Favored Glycine 0 CA--C 1.545 1.938 0 CA-C-N 120.609 1.55 . . . . 0.0 116.491 173.664 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -63.12 -45.97 11.27 Favored 'Trans proline' 0 C--N 1.359 1.1 0 C-N-CA 124.332 3.355 . . . . 0.0 115.414 179.904 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 52.4 mttt -64.2 -27.98 69.43 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 113.604 0.964 . . . . 0.0 113.604 169.654 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 8.6 t -65.22 -60.69 2.72 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-O 117.068 -1.444 . . . . 0.0 109.073 173.437 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -50.58 -41.18 20.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 CA-C-N 120.744 1.611 . . . . 0.0 115.193 171.904 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.27 -56.51 19.67 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 113.813 1.042 . . . . 0.0 113.813 173.924 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.27 -48.15 65.44 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 124.84 1.256 . . . . 0.0 110.743 171.866 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.43 ' CE2' HD11 ' A' ' 41' ' ' ILE . 3.9 t80 -54.48 -59.54 4.56 Favored 'General case' 0 C--N 1.351 0.668 0 C-N-CA 125.223 1.409 . . . . 0.0 112.042 175.776 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 20.7 mmmt -59.98 -39.92 87.38 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 114.165 1.172 . . . . 0.0 114.165 -178.664 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -68.04 -48.95 64.23 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 119.44 1.018 . . . . 0.0 113.054 177.546 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 2.4 m -60.26 -35.76 76.26 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 113.882 1.067 . . . . 0.0 113.882 169.429 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 5.1 t -66.03 -37.22 85.33 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 119.845 1.202 . . . . 0.0 113.356 173.692 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -61.12 -41.33 96.51 Favored 'General case' 0 CA--C 1.541 0.596 0 CA-C-N 120.035 1.288 . . . . 0.0 113.038 165.967 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 21.7 mm -61.22 -42.91 95.24 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.182 0 CA-C-N 120.529 1.513 . . . . 0.0 113.275 170.274 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.31 -48.75 76.07 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 123.929 0.892 . . . . 0.0 113.402 172.515 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 48.4 m-80 -66.79 -33.86 76.56 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 114.187 1.18 . . . . 0.0 114.187 172.684 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -62.21 -51.7 66.74 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 119.07 0.85 . . . . 0.0 112.371 170.778 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 4.5 p -67.78 -30.9 50.03 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.925 0 CA-C-N 119.767 1.167 . . . . 0.0 113.227 177.377 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 -58.08 -37.63 74.86 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.48 1.112 . . . . 0.0 112.84 170.144 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.14 -47.45 28.47 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 113.283 0.846 . . . . 0.0 113.283 169.985 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 . . . . . 0 CA--C 1.543 0.708 0 N-CA-C 114.836 1.421 . . . . 0.0 114.836 179.257 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 13.0 mt . . . . . 0 N--CA 1.478 0.926 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.483 ' O ' ' HB1' ' A' ' 11' ' ' ALA . 33.4 tt0 -61.57 -23.33 65.91 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-O 117.389 -1.291 . . . . 0.0 113.909 177.52 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -73.66 -43.35 59.68 Favored 'General case' 0 CA--C 1.548 0.885 0 CA-C-N 123.839 3.018 . . . . 0.0 113.845 170.85 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -83.26 -49.14 9.72 Favored 'General case' 0 N--CA 1.483 1.178 0 O-C-N 120.223 -1.548 . . . . 0.0 112.997 176.07 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.85 11.71 0.35 Allowed 'General case' 0 CA--C 1.556 1.178 0 N-CA-C 116.63 2.085 . . . . 0.0 116.63 161.667 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.483 ' HB1' ' O ' ' A' ' 7' ' ' GLU . . . -66.54 -39.3 88.49 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 118.111 -2.868 . . . . 0.0 112.577 148.536 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 48.1 mttp -79.32 57.72 2.4 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-O 122.586 1.184 . . . . 0.0 111.356 -170.019 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -68.89 -13.21 62.29 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 114.522 1.305 . . . . 0.0 114.522 176.868 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.6 mtpp -63.7 -39.64 94.81 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.951 0.9 . . . . 0.0 112.099 159.955 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -97.94 70.59 2.14 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-O 125.169 2.414 . . . . 0.0 110.109 178.259 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.95 -38.88 70.93 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 108.948 -3.751 . . . . 0.0 114.372 -174.118 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 64.4 mmm -65.34 -33.71 76.61 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.967 0.907 . . . . 0.0 112.877 175.02 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 58.6 mt -87.95 -44.9 10.68 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.248 0.619 . . . . 0.0 111.331 -172.813 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.75 -33.54 68.59 Favored 'General case' 0 CA--C 1.554 1.124 0 O-C-N 120.574 -1.329 . . . . 0.0 114.489 159.472 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . 0.25 0.1 OUTLIER -68.89 -27.68 66.01 Favored 'General case' 0 CA--C 1.549 0.905 0 CA-C-N 124.09 3.132 . . . . 0.0 111.614 170.535 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 87.5 m -60.76 -37.13 80.78 Favored 'General case' 0 CA--C 1.548 0.88 0 CA-C-N 121.308 1.867 . . . . 0.0 113.818 162.534 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -50.31 -49.17 54.53 Favored 'General case' 0 N--CA 1.482 1.158 0 CA-C-N 119.616 1.098 . . . . 0.0 112.089 160.782 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.41 ' O ' ' HD2' ' A' ' 27' ' ' TYR . 3.8 m-30 -74.18 -29.48 61.78 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 -176.883 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -58.27 -44.68 88.53 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 119.036 0.834 . . . . 0.0 112.524 161.238 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.54 -52.24 51.5 Favored Glycine 0 CA--C 1.531 1.065 0 C-N-CA 123.759 0.695 . . . . 0.0 114.218 171.742 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.4 -43.88 88.75 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 177.24 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.41 ' HD2' ' O ' ' A' ' 23' ' ' TYR . 72.0 m-85 -75.48 68.64 2.16 Favored 'General case' 0 CA--C 1.552 1.023 0 CA-C-N 120.177 1.353 . . . . 0.0 113.727 174.108 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -79.71 147.23 32.02 Favored 'General case' 0 CA--C 1.548 0.894 0 CA-C-N 115.097 -0.956 . . . . 0.0 113.578 174.782 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -132.25 -120.93 0.2 Allowed 'General case' 0 CA--C 1.555 1.154 0 O-C-N 120.97 -1.081 . . . . 0.0 111.748 -178.426 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -72.64 -2.25 19.35 Favored 'General case' 0 CA--C 1.549 0.916 0 O-C-N 119.217 -2.177 . . . . 0.0 116.383 -179.607 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -74.45 106.6 6.13 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-O 122.925 1.345 . . . . 0.0 113.297 -176.112 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -61.1 -36.37 79.51 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 114.216 -1.356 . . . . 0.0 113.622 174.093 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 46.8 p -118.22 138.42 52.35 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-O 121.959 0.885 . . . . 0.0 111.376 166.804 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 94.9 m -61.93 -35.83 79.59 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.423 1.089 . . . . 0.0 113.349 173.18 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.2 mp0 -67.26 -31.07 71.15 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 125.27 1.428 . . . . 0.0 114.334 -172.471 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -70.25 -44.87 67.6 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 121.795 2.088 . . . . 0.0 112.29 173.872 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.567 ' O ' HD13 ' A' ' 41' ' ' ILE . 36.3 ttp85 -58.19 -53.11 62.03 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 114.306 -1.315 . . . . 0.0 110.329 171.037 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -81.64 -1.93 48.43 Favored 'General case' 0 CA--C 1.55 0.96 0 N-CA-C 117.555 2.428 . . . . 0.0 117.555 176.647 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.22 -33.88 73.99 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 119.315 -2.116 . . . . 0.0 112.4 152.929 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 81.9 mtm180 -73.32 -36.27 66.19 Favored 'General case' 0 CA--C 1.552 1.026 0 N-CA-C 114.874 1.435 . . . . 0.0 114.874 166.667 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.567 HD13 ' O ' ' A' ' 37' ' ' ARG 0.273 3.5 mp -76.02 86.28 0.73 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.867 0 CA-C-O 126.746 3.165 . . . . 0.0 113.503 167.881 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 61.0 mttm -91.17 4.73 51.49 Favored 'General case' 0 CA--C 1.547 0.833 1 CA-C-N 107.937 -4.21 . . . . 0.0 116.107 -174.82 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 79.9 mt -61.82 -40.73 88.04 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.884 0 N-CA-C 114.746 1.387 . . . . 0.0 114.746 -164.875 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -175.7 162.19 31.31 Favored Glycine 0 CA--C 1.545 1.928 0 CA-C-O 117.773 -1.571 . . . . 0.0 115.709 175.312 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_exo -52.38 -51.07 11.95 Favored 'Trans proline' 0 C--N 1.361 1.221 0 C-N-CA 125.266 3.978 . . . . 0.0 116.127 177.912 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 23.0 mmtt -68.26 -23.46 64.78 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 113.869 1.062 . . . . 0.0 113.869 173.5 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 39.5 t -67.29 -58.25 5.17 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-O 117.324 -1.322 . . . . 0.0 110.588 170.713 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -50.95 -40.01 19.95 Favored 'Isoleucine or valine' 0 C--N 1.351 0.663 0 CA-C-N 120.194 1.361 . . . . 0.0 114.447 169.968 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.27 -52.23 64.56 Favored 'General case' 0 CA--C 1.555 1.143 0 N-CA-C 115.564 1.69 . . . . 0.0 115.564 173.302 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.85 -45.37 78.45 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.704 1.202 . . . . 0.0 111.508 170.117 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.428 ' CE2' HD11 ' A' ' 41' ' ' ILE . 2.7 t80 -55.37 -58.03 9.41 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.604 1.162 . . . . 0.0 111.992 174.513 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 43.3 tptt -59.53 -41.18 89.43 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.402 1.081 . . . . 0.0 113.127 -178.325 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.445 ' O ' HD11 ' A' ' 57' ' ' ILE . 94.5 m-20 -66.17 -54.73 21.81 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.691 0.997 . . . . 0.0 113.691 174.465 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 12.3 m -60.31 -28.03 67.79 Favored 'General case' 0 CA--C 1.549 0.907 0 N-CA-C 114.917 1.451 . . . . 0.0 114.917 171.723 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.8 t -71.31 -34.44 70.61 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 120.831 1.65 . . . . 0.0 112.868 170.279 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -58.28 -41.14 83.7 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 120.292 1.406 . . . . 0.0 112.944 162.979 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.445 HD11 ' O ' ' A' ' 53' ' ' ASP . 2.8 mp -61.58 -47.65 92.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 CA-C-N 120.119 1.327 . . . . 0.0 113.379 167.815 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.0 -39.1 68.7 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 172.748 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -64.79 -41.25 95.98 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 169.903 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -64.56 -34.05 77.34 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 113.942 1.09 . . . . 0.0 113.942 170.967 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 86.8 t -64.95 -49.89 77.57 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.759 0 CA-C-N 119.182 0.901 . . . . 0.0 111.74 166.127 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -59.88 -38.55 82.51 Favored 'General case' 0 CA--C 1.548 0.898 0 CA-C-N 119.471 1.032 . . . . 0.0 113.737 176.334 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -89.89 13.81 13.66 Favored 'General case' 0 CA--C 1.555 1.151 0 N-CA-C 114.921 1.452 . . . . 0.0 114.921 169.843 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 . . . . . 0 CA--C 1.554 1.115 0 C-N-CA 128.129 2.572 . . . . 0.0 116.205 173.273 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.0 mp . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 118.728 -0.654 . . . . 0.0 109.749 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -58.72 -54.5 46.39 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 115.99 -1.957 . . . . 0.0 112.179 175.483 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -64.07 -21.93 66.72 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 125.772 3.896 . . . . 0.0 114.738 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -79.23 -69.05 0.6 Allowed 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 119.982 1.264 . . . . 0.0 112.514 163.71 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.84 3.61 7.84 Favored 'General case' 0 CA--C 1.556 1.209 0 N-CA-C 119.396 3.109 . . . . 0.0 119.396 179.594 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.99 -50.93 8.56 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 117.444 -3.285 . . . . 0.0 111.859 156.698 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -83.07 68.02 9.36 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-O 123.294 1.521 . . . . 0.0 111.184 -174.326 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.7 m-30 -54.29 -3.9 0.05 OUTLIER 'General case' 0 CA--C 1.551 1.005 0 N-CA-C 117.03 2.234 . . . . 0.0 117.03 177.534 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -59.05 -31.88 69.25 Favored 'General case' 0 CA--C 1.546 0.79 0 O-C-N 120.821 -1.174 . . . . 0.0 112.288 157.086 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -80.04 58.09 2.85 Favored 'General case' 0 CA--C 1.549 0.933 0 CA-C-O 122.549 1.166 . . . . 0.0 111.312 172.046 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.51 -54.71 43.71 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 115.995 1.85 . . . . 0.0 115.995 -165.955 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 70.7 mmm -67.68 -27.04 66.51 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.769 0.828 . . . . 0.0 113.107 176.01 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 39.3 mt -81.96 -44.98 16.01 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.028 0.931 . . . . 0.0 111.335 -175.242 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -63.19 -31.15 72.22 Favored 'General case' 0 CA--C 1.545 0.784 0 O-C-N 121.428 -0.795 . . . . 0.0 112.087 164.266 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.2 tmtm? -63.71 -38.09 89.81 Favored 'General case' 0 CA--C 1.551 1.006 0 CA-C-N 121.208 1.822 . . . . 0.0 111.443 168.371 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 27.6 m -58.03 -39.56 78.7 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 122.267 2.303 . . . . 0.0 114.786 165.575 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -49.67 -51.96 34.46 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 119.214 0.916 . . . . 0.0 111.572 163.99 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.41 ' O ' ' HD2' ' A' ' 27' ' ' TYR 0.262 6.4 m-30 -74.78 -24.63 58.7 Favored 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 113.814 1.042 . . . . 0.0 113.814 -175.794 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -61.35 -37.33 82.95 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 113.564 0.95 . . . . 0.0 113.564 160.607 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.96 -42.07 69.96 Favored Glycine 0 CA--C 1.532 1.154 0 CA-C-O 119.357 -0.691 . . . . 0.0 114.718 170.312 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.96 -38.79 92.13 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 114.061 1.134 . . . . 0.0 114.061 175.305 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.41 ' HD2' ' O ' ' A' ' 23' ' ' TYR . 52.0 m-85 -72.96 67.95 0.88 Allowed 'General case' 0 CA--C 1.552 1.033 0 CA-C-O 123.383 1.563 . . . . 0.0 113.691 171.782 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 33.0 ttt-85 -146.46 133.41 20.22 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 114.007 -1.451 . . . . 0.0 112.188 174.966 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -140.06 -56.29 0.55 Allowed 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.07 168.439 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -64.72 -53.38 48.07 Favored 'General case' 0 CA--C 1.547 0.862 0 N-CA-C 116.802 2.149 . . . . 0.0 116.802 -175.248 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -79.47 126.3 30.68 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-O 122.359 1.076 . . . . 0.0 113.478 -172.479 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -58.51 -55.5 34.22 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 115.257 1.577 . . . . 0.0 115.257 -169.728 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 33.0 m -105.53 113.78 27.56 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 121.44 -0.787 . . . . 0.0 112.371 -168.85 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 91.5 m -57.63 -38.88 75.76 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 176.806 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 40.7 mp0 -67.21 -14.84 63.29 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 114.185 1.18 . . . . 0.0 114.185 -178.234 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -75.31 -59.32 2.8 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 121.29 1.859 . . . . 0.0 110.006 172.108 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.575 ' O ' HD13 ' A' ' 41' ' ' ILE . 2.9 ptp180 -59.34 -40.3 85.91 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-O 118.003 -0.998 . . . . 0.0 111.944 172.151 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -87.3 6.19 34.65 Favored 'General case' 0 CA--C 1.551 0.994 0 CA-C-N 122.154 2.252 . . . . 0.0 116.889 172.205 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.78 -31.73 63.44 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 119.083 -2.261 . . . . 0.0 112.084 146.4 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 87.2 mtt-85 -72.59 -44.62 61.79 Favored 'General case' 0 CA--C 1.553 1.073 0 N-CA-C 113.247 0.832 . . . . 0.0 113.247 168.643 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.575 HD13 ' O ' ' A' ' 37' ' ' ARG . 3.2 mp -69.62 86.78 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.926 0 CA-C-O 126.734 3.159 . . . . 0.0 113.504 167.613 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 58.0 mttp -97.0 9.98 40.52 Favored 'General case' 0 CA--C 1.547 0.833 1 CA-C-N 107.876 -4.238 . . . . 0.0 115.836 -178.661 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 76.6 mt -62.94 -37.87 80.43 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.962 0 CA-C-N 119.901 1.228 . . . . 0.0 114.156 -166.612 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -177.49 163.59 32.21 Favored Glycine 0 CA--C 1.545 1.968 0 CA-C-O 118.01 -1.439 . . . . 0.0 115.362 172.538 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_exo -53.53 -47.0 29.7 Favored 'Trans proline' 0 C--N 1.359 1.128 0 C-N-CA 124.97 3.78 . . . . 0.0 115.694 174.569 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 42.5 tttm -68.21 -30.03 69.01 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 124.195 0.998 . . . . 0.0 112.374 177.626 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.44 -55.29 18.79 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.487 1.115 . . . . 0.0 111.06 171.622 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . 0.293 0.0 OUTLIER -54.2 -36.11 31.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 N-CA-C 115.612 1.708 . . . . 0.0 115.612 169.263 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -60.86 -51.47 69.17 Favored 'General case' 0 CA--C 1.551 1.015 0 CA-C-N 120.755 1.616 . . . . 0.0 115.216 170.8 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.42 -50.51 62.4 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 124.36 1.064 . . . . 0.0 111.168 168.44 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.435 ' CE2' HD11 ' A' ' 41' ' ' ILE . 2.7 t80 -54.13 -53.53 51.99 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.924 1.29 . . . . 0.0 112.409 176.225 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 53.0 tptt -62.79 -40.9 98.75 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 113.603 0.964 . . . . 0.0 113.603 -178.078 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -73.28 -37.68 66.17 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 120.497 1.498 . . . . 0.0 114.925 175.463 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 9.0 m -63.45 -30.88 71.93 Favored 'General case' 0 CA--C 1.553 1.085 0 N-CA-C 114.344 1.239 . . . . 0.0 114.344 164.564 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 16.4 t -57.9 -42.94 85.73 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 120.894 1.679 . . . . 0.0 113.194 164.022 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -56.66 -44.42 81.33 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 119.712 1.142 . . . . 0.0 112.94 168.024 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 24.0 mm -60.35 -45.39 96.57 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 N-CA-C 113.968 1.099 . . . . 0.0 113.968 170.85 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.78 -45.62 82.01 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 113.664 0.986 . . . . 0.0 113.664 174.497 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 71.3 m-80 -65.85 -38.92 90.12 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 113.656 0.984 . . . . 0.0 113.656 171.612 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -60.19 -48.59 81.07 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-O 118.369 -0.824 . . . . 0.0 112.921 173.167 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 33.2 m -70.36 -28.47 35.4 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.777 0 CA-C-N 120.6 1.545 . . . . 0.0 114.282 175.112 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 57.4 ttt180 -65.57 -42.1 92.17 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 120.318 1.417 . . . . 0.0 113.079 166.142 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.08 -46.34 65.1 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 119.635 1.107 . . . . 0.0 113.796 171.819 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 . . . . . 0 CA--C 1.546 0.803 0 C-N-CA 126.823 2.049 . . . . 0.0 115.145 175.208 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 5.3 mp . . . . . 0 N--CA 1.483 1.181 0 CA-C-O 118.648 -0.692 . . . . 0.0 109.938 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -60.95 -31.54 71.1 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-O 116.693 -1.623 . . . . 0.0 114.588 175.013 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 86.1 mt-10 -69.62 -36.51 76.21 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 123.533 2.879 . . . . 0.0 115.164 170.947 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -87.15 -46.27 9.91 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 120.544 1.52 . . . . 0.0 112.625 177.118 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.83 4.88 3.64 Favored 'General case' 0 CA--C 1.555 1.143 0 N-CA-C 116.254 1.946 . . . . 0.0 116.254 164.316 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.29 -40.2 71.02 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 118.315 -2.74 . . . . 0.0 112.539 149.457 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 48.8 mttp -77.6 62.9 2.61 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-O 122.835 1.302 . . . . 0.0 111.652 -174.052 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -66.5 -14.33 62.13 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 113.763 1.023 . . . . 0.0 113.763 170.928 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.0 tptp -64.38 -35.87 82.3 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 124.351 1.06 . . . . 0.0 112.902 160.214 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -98.19 68.78 1.96 Allowed 'General case' 0 CA--C 1.544 0.727 0 CA-C-O 125.254 2.455 . . . . 0.0 110.089 174.105 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.3 -40.7 74.75 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 108.916 -3.766 . . . . 0.0 114.289 -170.968 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 32.4 ttm -66.78 -32.47 73.78 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.217 1.007 . . . . 0.0 112.745 176.153 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 74.4 mt -86.86 -40.39 14.94 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 121.069 -1.019 . . . . 0.0 112.427 -174.45 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.68 -29.67 70.87 Favored 'General case' 0 CA--C 1.551 1.014 0 O-C-N 120.79 -1.194 . . . . 0.0 113.108 160.492 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.0 tmtm? -66.52 -34.19 77.37 Favored 'General case' 0 CA--C 1.549 0.937 0 CA-C-N 122.055 2.207 . . . . 0.0 111.508 167.538 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 98.5 m -53.94 -43.12 69.55 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 122.175 2.261 . . . . 0.0 113.774 163.44 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -49.25 -55.94 10.98 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 122.795 0.438 . . . . 0.0 111.337 163.648 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.423 ' O ' ' HD2' ' A' ' 27' ' ' TYR 0.265 5.3 m-30 -72.8 -22.29 60.85 Favored 'General case' 0 CA--C 1.552 1.035 0 N-CA-C 114.237 1.199 . . . . 0.0 114.237 -173.838 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -58.85 -48.64 80.65 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.145 0.978 . . . . 0.0 112.286 159.679 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.83 -42.32 96.52 Favored Glycine 0 CA--C 1.532 1.145 0 CA-C-O 119.428 -0.651 . . . . 0.0 114.655 172.354 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.81 -46.36 85.47 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 114.212 1.19 . . . . 0.0 114.212 175.237 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.423 ' HD2' ' O ' ' A' ' 23' ' ' TYR . 59.8 m-85 -73.95 66.65 1.19 Allowed 'General case' 0 CA--C 1.552 1.055 0 CA-C-N 120.511 1.505 . . . . 0.0 114.978 178.246 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -74.36 134.45 42.48 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-O 122.341 1.067 . . . . 0.0 113.578 170.717 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -157.02 -59.33 0.09 Allowed 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 114.853 -1.067 . . . . 0.0 113.808 -166.317 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -74.04 -45.28 50.57 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 116.577 2.066 . . . . 0.0 116.577 -173.224 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -143.86 -177.42 5.42 Favored 'General case' 0 CA--C 1.55 0.977 0 CA-C-N 120.381 1.446 . . . . 0.0 112.129 -178.948 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -78.89 -43.15 25.55 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 116.132 1.901 . . . . 0.0 116.132 170.709 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 41.2 p -85.0 113.87 21.75 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 121.012 -1.055 . . . . 0.0 113.769 -167.743 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 81.1 m -64.19 -37.97 89.38 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 178.823 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.75 -5.17 39.05 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 114.47 1.285 . . . . 0.0 114.47 178.453 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -70.97 -59.84 2.56 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 121.202 1.819 . . . . 0.0 110.428 163.369 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.499 ' O ' HD13 ' A' ' 41' ' ' ILE . 33.1 mtm180 -54.83 -50.7 67.96 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 115.0 -1.0 . . . . 0.0 112.255 170.034 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . 0.283 . . -89.08 15.31 8.91 Favored 'General case' 0 CA--C 1.55 0.964 0 N-CA-C 116.079 1.881 . . . . 0.0 116.079 177.491 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.15 -43.12 62.02 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 119.586 -1.946 . . . . 0.0 112.021 140.069 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.8 mpp_? -70.42 -42.62 71.36 Favored 'General case' 0 CA--C 1.553 1.062 0 N-CA-C 114.545 1.313 . . . . 0.0 114.545 172.25 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.499 HD13 ' O ' ' A' ' 37' ' ' ARG . 3.3 mp -68.95 88.36 0.18 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.969 0 CA-C-O 126.875 3.226 . . . . 0.0 112.684 166.55 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 29.9 mmtm -95.61 7.29 46.7 Favored 'General case' 0 CA--C 1.544 0.745 1 CA-C-N 107.137 -4.574 . . . . 0.0 116.491 -176.158 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 73.6 mt -63.8 -39.28 84.81 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.906 0 N-CA-C 114.3 1.222 . . . . 0.0 114.3 -166.181 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 177.44 168.5 37.27 Favored Glycine 0 CA--C 1.545 1.965 0 CA-C-N 120.224 1.375 . . . . 0.0 116.465 173.058 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_exo -52.83 -46.8 31.12 Favored 'Trans proline' 0 C--N 1.361 1.191 0 C-N-CA 125.223 3.949 . . . . 0.0 115.964 174.928 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -66.01 -30.93 71.56 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.846 0.859 . . . . 0.0 112.242 175.701 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 43.3 t -65.93 -57.92 6.73 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-O 117.386 -1.292 . . . . 0.0 111.677 172.416 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -52.23 -38.13 24.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 CA-C-N 120.884 1.674 . . . . 0.0 115.106 170.967 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.15 -53.47 56.62 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 115.313 1.598 . . . . 0.0 115.313 170.892 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.21 -48.36 68.19 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 124.254 1.021 . . . . 0.0 111.017 169.929 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.414 ' CE2' HD11 ' A' ' 41' ' ' ILE . 3.0 t80 -55.21 -57.4 11.94 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.218 1.407 . . . . 0.0 112.3 176.49 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.437 ' O ' ' HD1' ' A' ' 56' ' ' TYR . 41.7 mttm -65.62 -34.7 78.84 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 115.489 1.662 . . . . 0.0 115.489 -179.551 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -69.93 -44.14 70.23 Favored 'General case' 0 CA--C 1.55 0.943 0 CA-C-N 121.486 1.948 . . . . 0.0 113.36 173.593 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 5.6 m -63.35 -31.63 72.84 Favored 'General case' 0 CA--C 1.552 1.026 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 167.453 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 51.9 t -57.03 -42.41 80.36 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 120.506 1.503 . . . . 0.0 112.683 164.374 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.437 ' HD1' ' O ' ' A' ' 52' ' ' LYS . 24.9 m-85 -59.15 -41.38 88.2 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 120.249 1.386 . . . . 0.0 113.777 169.534 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 27.2 mm -58.91 -48.74 85.45 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.256 0 CA-C-N 119.902 1.228 . . . . 0.0 113.804 167.959 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.1 -40.9 77.9 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 113.439 0.903 . . . . 0.0 113.439 173.622 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -61.92 -37.51 84.96 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.448 1.099 . . . . 0.0 113.408 172.707 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -64.64 -45.83 85.14 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 118.859 0.754 . . . . 0.0 112.665 168.533 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 90.4 t -64.26 -45.02 97.38 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.834 0 N-CA-C 113.805 1.039 . . . . 0.0 113.805 177.294 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 36.8 ptt180 -68.17 -20.5 64.88 Favored 'General case' 0 CA--C 1.548 0.895 0 CA-C-N 121.286 1.857 . . . . 0.0 114.374 175.245 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -85.16 -56.72 3.4 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 119.284 0.947 . . . . 0.0 112.674 166.794 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 . . . . . 0 CA--C 1.547 0.836 0 O-C-N 120.409 -1.432 . . . . 0.0 111.548 -179.305 . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.2 mt . . . . . 0 N--CA 1.486 1.367 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -58.87 -38.32 78.53 Favored 'General case' 0 C--N 1.347 0.492 0 CA-C-O 117.633 -1.175 . . . . 0.0 112.507 -179.179 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -60.71 -57.79 11.22 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 120.863 1.665 . . . . 0.0 115.343 168.1 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -71.77 -42.38 67.24 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 120.974 1.716 . . . . 0.0 113.912 -175.851 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.88 -4.97 31.2 Favored 'General case' 0 CA--C 1.555 1.16 0 N-CA-C 116.517 2.043 . . . . 0.0 116.517 162.443 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -80.09 -42.09 24.31 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 124.729 3.422 . . . . 0.0 113.073 152.798 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 52.1 mttp -69.51 59.04 0.13 Allowed 'General case' 0 CA--C 1.552 1.037 0 CA-C-O 122.827 1.299 . . . . 0.0 113.233 178.175 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -60.05 -12.88 9.21 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 126.192 1.797 . . . . 0.0 115.354 176.131 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -60.98 -36.89 80.62 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.242 1.017 . . . . 0.0 112.209 162.566 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 58.9 m-85 -92.75 67.16 4.47 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-O 124.395 2.045 . . . . 0.0 110.209 173.661 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.91 -43.18 81.14 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 110.819 -2.9 . . . . 0.0 114.213 -173.098 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 61.9 mtp -65.96 -29.91 70.38 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.132 0.973 . . . . 0.0 113.397 175.438 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 63.9 mt -87.09 -38.84 16.12 Favored 'General case' 0 CA--C 1.537 0.475 0 O-C-N 121.399 -0.813 . . . . 0.0 112.255 -175.269 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.81 -32.51 74.08 Favored 'General case' 0 CA--C 1.55 0.947 0 O-C-N 120.981 -1.074 . . . . 0.0 112.975 161.354 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.1 tptp -67.24 -28.76 68.32 Favored 'General case' 0 CA--C 1.553 1.084 0 CA-C-N 122.081 2.219 . . . . 0.0 112.345 168.827 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.2 t -63.26 -40.9 98.72 Favored 'General case' 0 CA--C 1.551 1.006 0 CA-C-N 119.983 1.265 . . . . 0.0 113.273 165.074 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.6 t -47.41 -56.95 5.91 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 118.812 0.733 . . . . 0.0 110.957 160.187 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.428 ' O ' ' HD2' ' A' ' 27' ' ' TYR 0.282 6.7 m-30 -72.1 -21.43 61.49 Favored 'General case' 0 CA--C 1.553 1.08 0 N-CA-C 114.213 1.19 . . . . 0.0 114.213 -173.972 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.2 t0 -61.74 -40.71 96.07 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.746 1.218 . . . . 0.0 112.586 161.21 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.5 -40.59 91.05 Favored Glycine 0 CA--C 1.537 1.412 0 CA-C-O 119.001 -0.888 . . . . 0.0 114.948 167.37 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.36 -42.32 96.27 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 114.914 1.45 . . . . 0.0 114.914 178.602 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.428 ' HD2' ' O ' ' A' ' 23' ' ' TYR . 59.7 m-85 -72.73 55.53 0.38 Allowed 'General case' 0 CA--C 1.555 1.137 0 CA-C-N 120.826 1.648 . . . . 0.0 114.869 176.891 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 20.4 mmm180 -143.09 166.64 24.11 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.777 1.231 . . . . 0.0 114.206 -179.118 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 26.6 t30 -147.8 -78.98 0.15 Allowed 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.635 177.92 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -73.19 66.19 0.86 Allowed 'General case' 0 CA--C 1.547 0.857 0 CA-C-O 123.275 1.512 . . . . 0.0 114.677 -173.658 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -89.14 119.66 29.84 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 114.459 -1.246 . . . . 0.0 112.001 174.804 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -66.32 -51.81 53.51 Favored 'General case' 0 CA--C 1.547 0.837 0 O-C-N 120.822 -1.174 . . . . 0.0 110.711 165.744 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 24.9 m -150.81 132.97 15.34 Favored 'General case' 0 CA--C 1.545 0.787 0 O-C-N 120.657 -1.277 . . . . 0.0 110.734 159.312 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 90.4 m -53.16 -34.17 55.73 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 115.042 1.497 . . . . 0.0 115.042 -175.615 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -66.4 -9.57 35.05 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 125.244 1.418 . . . . 0.0 113.727 177.043 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -72.05 -58.92 3.03 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 123.184 2.72 . . . . 0.0 110.686 168.7 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.56 ' O ' HD13 ' A' ' 41' ' ' ILE . 26.8 ttt180 -61.57 -44.02 97.8 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 112.742 -2.027 . . . . 0.0 110.143 176.057 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -92.33 19.34 7.19 Favored 'General case' 0 CA--C 1.553 1.094 0 N-CA-C 115.856 1.798 . . . . 0.0 115.856 172.127 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -75.78 -38.24 58.46 Favored 'General case' 0 N--CA 1.468 0.446 0 O-C-N 118.742 -2.474 . . . . 0.0 111.681 140.701 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -66.8 -49.05 67.09 Favored 'General case' 0 CA--C 1.551 1.003 0 N-CA-C 113.207 0.818 . . . . 0.0 113.207 169.621 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.56 HD13 ' O ' ' A' ' 37' ' ' ARG . 3.4 mp -77.29 82.13 0.79 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.806 0 CA-C-O 126.252 2.93 . . . . 0.0 113.047 169.846 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.0 tptt -118.76 40.28 3.3 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-N 108.413 -3.994 . . . . 0.0 112.523 177.635 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 73.5 mt -71.55 -40.14 71.16 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.807 0 C-N-CA 123.531 0.732 . . . . 0.0 111.993 -179.349 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -161.95 155.49 26.77 Favored Glycine 0 CA--C 1.545 1.954 0 CA-C-O 117.483 -1.731 . . . . 0.0 114.468 176.01 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_exo -52.21 -48.02 23.87 Favored 'Trans proline' 0 C--N 1.36 1.165 0 C-N-CA 124.985 3.79 . . . . 0.0 115.609 175.677 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -62.58 -32.97 74.05 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 113.453 0.909 . . . . 0.0 113.453 173.237 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 10.7 t -65.68 -60.31 3.03 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-O 117.385 -1.293 . . . . 0.0 109.457 175.337 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -50.9 -42.86 24.21 Favored 'Isoleucine or valine' 0 C--N 1.352 0.685 0 CA-C-N 120.488 1.495 . . . . 0.0 114.932 173.718 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.5 ttpp -61.5 -55.48 30.57 Favored 'General case' 0 CA--C 1.55 0.96 0 CA-C-O 117.825 -1.083 . . . . 0.0 113.335 174.748 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -50.43 -48.98 56.09 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-N 120.123 1.329 . . . . 0.0 111.079 170.832 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.42 ' CE2' HD11 ' A' ' 41' ' ' ILE . 7.2 t80 -53.73 -58.26 7.87 Favored 'General case' 0 C--N 1.349 0.554 0 C-N-CA 125.188 1.395 . . . . 0.0 112.257 176.251 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -66.11 -28.82 69.1 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 114.424 1.268 . . . . 0.0 114.424 -179.274 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -63.57 -53.34 53.21 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 120.28 1.4 . . . . 0.0 113.18 169.807 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 15.2 m -64.33 -35.15 79.93 Favored 'General case' 0 CA--C 1.553 1.094 0 N-CA-C 115.276 1.584 . . . . 0.0 115.276 171.467 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 8.3 t -65.51 -36.87 85.13 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 121.092 1.769 . . . . 0.0 112.767 172.653 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.405 ' O ' ' HG2' ' A' ' 60' ' ' GLN . 8.9 t80 -55.87 -48.43 75.57 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-O 117.875 -1.06 . . . . 0.0 112.228 164.175 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 26.8 mm -57.98 -47.42 86.64 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.167 0 CA-C-N 120.527 1.512 . . . . 0.0 114.881 170.428 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.48 -45.49 69.64 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 174.005 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 13.9 m-80 -72.15 -26.03 61.93 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 115.155 1.539 . . . . 0.0 115.155 172.792 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.405 ' HG2' ' O ' ' A' ' 56' ' ' TYR . 14.4 mm-40 -68.46 -40.84 80.9 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 121.302 1.865 . . . . 0.0 112.896 164.743 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 98.5 t -62.29 -39.07 82.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 CA-C-N 119.731 1.15 . . . . 0.0 112.851 172.705 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -54.96 -41.5 71.21 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 124.76 1.224 . . . . 0.0 114.06 168.935 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -77.68 -48.63 16.3 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 172.552 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 . . . . . 0 CA--C 1.546 0.792 0 C-N-CA 126.903 2.081 . . . . 0.0 115.388 177.169 . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.2 mp . . . . . 0 N--CA 1.484 1.267 0 N-CA-C 110.008 -0.368 . . . . 0.0 110.008 . . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 41.1 mm-40 -60.07 -47.7 84.8 Favored 'General case' 0 C--O 1.217 -0.644 0 CA-C-O 115.834 -2.031 . . . . 0.0 112.084 174.166 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -64.6 -17.97 64.47 Favored 'General case' 0 CA--C 1.553 1.071 1 CA-C-N 126.176 4.08 . . . . 0.0 115.576 177.743 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -86.25 -48.16 8.78 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 121.005 1.729 . . . . 0.0 114.515 161.667 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.592 ' O ' ' HD1' ' A' ' 13' ' ' TYR . . . -63.69 -63.77 1.08 Allowed 'General case' 0 N--CA 1.478 0.965 0 CA-C-O 115.704 -2.093 . . . . 0.0 115.797 168.194 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -50.34 -24.46 3.0 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 124.26 3.209 . . . . 0.0 118.071 -165.224 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 59.3 mttp -62.42 -36.62 82.95 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 123.859 0.864 . . . . 0.0 112.616 169.327 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.592 ' HD1' ' O ' ' A' ' 10' ' ' ALA 0.295 1.6 m-85 53.5 -29.96 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 118.925 2.935 . . . . 0.0 118.925 178.721 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -62.44 -33.92 75.76 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.612 1.565 . . . . 0.0 112.835 168.783 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 62.4 m-85 -76.28 65.77 2.27 Favored 'General case' 0 CA--C 1.548 0.886 0 CA-C-O 124.058 1.885 . . . . 0.0 112.076 169.064 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.43 -50.66 73.07 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 111.118 -2.765 . . . . 0.0 115.495 -167.079 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 4.2 mpp? -63.66 -31.76 73.03 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.154 0.982 . . . . 0.0 113.102 178.773 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 37.8 mt -83.08 -47.44 11.66 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.065 0.946 . . . . 0.0 110.962 -173.666 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.7 tmmm? -52.94 -42.03 65.04 Favored 'General case' 0 CA--C 1.55 0.944 0 N-CA-C 114.441 1.274 . . . . 0.0 114.441 159.301 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.25 -32.35 73.73 Favored 'General case' 0 CA--C 1.549 0.933 0 CA-C-N 121.11 1.777 . . . . 0.0 112.187 169.958 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 18.2 m -60.73 -38.17 84.23 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 122.68 2.491 . . . . 0.0 114.699 163.18 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -50.49 -55.9 13.94 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 120.295 1.407 . . . . 0.0 110.803 164.362 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.261 6.4 m-30 -72.35 -25.33 61.49 Favored 'General case' 0 CA--C 1.554 1.098 0 N-CA-C 113.675 0.991 . . . . 0.0 113.675 -173.982 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.28 -34.9 78.69 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.144 1.378 . . . . 0.0 113.456 164.155 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -78.07 -32.62 43.56 Favored Glycine 0 CA--C 1.534 1.269 0 CA-C-O 118.97 -0.905 . . . . 0.0 115.15 168.679 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.33 -46.46 80.17 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 119.028 1.414 . . . . 0.0 113.807 174.78 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -74.91 40.19 0.14 Allowed 'General case' 0 CA--C 1.555 1.149 0 N-CA-C 115.515 1.672 . . . . 0.0 115.515 178.388 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 34.4 mmt180 -117.22 72.43 0.83 Allowed 'General case' 0 CA--C 1.546 0.819 0 O-C-N 119.685 -1.885 . . . . 0.0 112.796 -175.3 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 23.2 m120 -84.05 -56.44 3.67 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 115.307 -0.86 . . . . 0.0 112.932 175.384 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -68.16 -33.43 74.45 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 114.429 1.27 . . . . 0.0 114.429 176.299 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -77.84 84.68 4.14 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 113.466 0.913 . . . . 0.0 113.466 -179.22 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.48 -49.79 66.71 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 116.812 2.153 . . . . 0.0 116.812 -174.46 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 90.2 m -109.01 99.58 8.89 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 121.228 1.831 . . . . 0.0 109.376 -178.13 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 77.5 m -59.19 -40.35 85.42 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 114.948 1.462 . . . . 0.0 114.948 -174.796 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -66.49 -16.77 64.38 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 114.612 1.338 . . . . 0.0 114.612 -177.683 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -69.16 -50.56 46.58 Favored 'General case' 0 CA--C 1.55 0.971 0 CA-C-O 122.566 1.174 . . . . 0.0 110.829 166.881 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.546 ' O ' HD13 ' A' ' 41' ' ' ILE . 8.6 mpt_? -66.09 -44.35 84.67 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 114.579 -1.191 . . . . 0.0 110.128 177.92 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . 0.258 . . -85.75 5.35 32.72 Favored 'General case' 0 CA--C 1.551 0.995 0 N-CA-C 116.231 1.937 . . . . 0.0 116.231 173.775 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.51 -32.48 64.28 Favored 'General case' 0 CA--C 1.543 0.705 0 O-C-N 119.429 -2.044 . . . . 0.0 112.519 145.382 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 70.9 mtt85 -73.81 -44.63 55.25 Favored 'General case' 0 CA--C 1.553 1.076 0 O-C-N 120.787 -1.195 . . . . 0.0 113.406 166.706 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.546 HD13 ' O ' ' A' ' 37' ' ' ARG 0.257 3.2 mp -68.96 84.93 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.551 1.002 0 CA-C-O 126.806 3.193 . . . . 0.0 113.122 167.363 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 55.1 mttp -94.83 11.07 32.88 Favored 'General case' 0 CA--C 1.545 0.781 1 CA-C-N 107.87 -4.241 . . . . 0.0 115.857 -176.877 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 46.3 mm -63.35 -34.99 70.45 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.905 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 -167.77 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -177.36 161.73 29.33 Favored Glycine 0 CA--C 1.546 1.987 0 CA-C-O 118.103 -1.387 . . . . 0.0 115.234 171.86 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_exo -52.65 -47.17 28.63 Favored 'Trans proline' 0 C--N 1.36 1.146 0 C-N-CA 124.976 3.784 . . . . 0.0 115.423 174.239 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -68.74 -24.68 64.48 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 123.68 0.792 . . . . 0.0 112.469 174.879 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.5 -56.52 7.14 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.67 172.296 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -50.94 -42.11 23.14 Favored 'Isoleucine or valine' 0 C--N 1.352 0.689 0 CA-C-N 120.227 1.376 . . . . 0.0 114.605 169.762 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.27 -52.18 66.68 Favored 'General case' 0 CA--C 1.55 0.945 0 N-CA-C 114.961 1.467 . . . . 0.0 114.961 172.895 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.57 -47.54 79.29 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.368 1.067 . . . . 0.0 110.884 171.345 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.43 ' CE2' HD11 ' A' ' 41' ' ' ILE . 2.8 t80 -54.68 -55.07 33.62 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.05 1.34 . . . . 0.0 112.441 176.712 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 25.5 ttpt -64.83 -38.56 91.39 Favored 'General case' 0 CA--C 1.55 0.944 0 N-CA-C 113.985 1.105 . . . . 0.0 113.985 -179.845 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.63 -50.37 72.82 Favored 'General case' 0 CA--C 1.551 0.984 0 CA-C-N 120.417 1.462 . . . . 0.0 113.902 172.379 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 10.9 m -64.73 -27.76 69.13 Favored 'General case' 0 CA--C 1.551 1.017 0 N-CA-C 114.438 1.273 . . . . 0.0 114.438 171.358 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 52.1 t -61.36 -38.79 88.23 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 121.194 1.815 . . . . 0.0 113.276 164.323 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -57.59 -42.89 84.06 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 119.943 1.247 . . . . 0.0 112.866 166.616 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 24.5 mm -60.6 -46.46 95.62 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 N-CA-C 114.079 1.14 . . . . 0.0 114.079 168.084 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.15 -42.97 77.82 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 113.225 0.824 . . . . 0.0 113.225 173.668 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -66.42 -32.7 74.23 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 114.867 1.432 . . . . 0.0 114.867 171.375 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -62.7 -43.42 98.85 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 120.068 1.304 . . . . 0.0 112.93 164.195 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 97.4 t -62.42 -33.9 61.72 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.936 0 CA-C-N 120.036 1.289 . . . . 0.0 112.961 172.914 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -61.83 -47.23 86.01 Favored 'General case' 0 CA--C 1.546 0.802 0 O-C-N 120.666 -1.271 . . . . 0.0 113.339 167.467 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.34 -51.45 10.09 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 114.726 1.38 . . . . 0.0 114.726 179.739 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 . . . . . 0 CA--C 1.548 0.872 0 CA-C-O 123.187 1.47 . . . . 0.0 111.3 -176.859 . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.7 mt . . . . . 0 N--CA 1.485 1.315 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 . . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -59.32 -44.38 92.58 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 116.832 -1.556 . . . . 0.0 112.742 -179.697 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -71.61 -33.35 68.92 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 123.0 2.637 . . . . 0.0 116.24 173.861 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.61 -57.15 3.97 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 123.884 3.038 . . . . 0.0 112.852 172.43 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.92 3.21 2.78 Favored 'General case' 0 CA--C 1.556 1.202 0 N-CA-C 117.226 2.306 . . . . 0.0 117.226 170.817 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -79.24 -41.97 27.01 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 124.28 3.218 . . . . 0.0 114.374 154.528 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 35.6 mtmm -63.55 -45.29 91.2 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 114.714 1.376 . . . . 0.0 114.714 -167.994 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 62.24 -29.6 0.07 Allowed 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 117.056 2.243 . . . . 0.0 117.056 173.013 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -61.08 -39.37 89.63 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.259 1.423 . . . . 0.0 111.921 164.902 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -78.85 66.63 4.37 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-O 124.481 2.086 . . . . 0.0 111.741 167.092 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.88 -47.75 83.83 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 110.319 -3.128 . . . . 0.0 114.597 -170.484 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 34.5 ttm -64.53 -32.24 73.8 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.219 1.008 . . . . 0.0 112.786 177.917 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 79.1 mt -83.55 -43.45 15.7 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 123.38 0.672 . . . . 0.0 112.549 -175.531 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.91 -29.74 70.22 Favored 'General case' 0 CA--C 1.551 0.981 0 CA-C-N 119.495 1.043 . . . . 0.0 113.192 163.11 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -67.97 -30.83 70.21 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-N 122.672 2.487 . . . . 0.0 111.501 168.642 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 7.0 t -63.77 -37.92 89.16 Favored 'General case' 0 CA--C 1.552 1.033 0 CA-C-N 120.656 1.571 . . . . 0.0 113.512 166.525 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.1 t -48.07 -56.98 6.45 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.19 0.596 . . . . 0.0 110.908 158.78 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.268 5.8 m-30 -72.67 -21.33 61.09 Favored 'General case' 0 CA--C 1.554 1.103 0 N-CA-C 114.396 1.258 . . . . 0.0 114.396 -174.207 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -61.38 -38.24 86.32 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.159 1.384 . . . . 0.0 112.913 160.412 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.84 -34.34 62.44 Favored Glycine 0 CA--C 1.535 1.298 0 CA-C-O 118.726 -1.041 . . . . 0.0 115.619 167.175 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.85 -47.76 65.15 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 119.725 1.763 . . . . 0.0 114.386 175.421 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -75.92 55.04 0.87 Allowed 'General case' 0 CA--C 1.553 1.077 0 CA-C-N 120.515 1.507 . . . . 0.0 114.286 -179.992 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 27.4 mmt180 -123.43 156.66 35.07 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 124.325 1.05 . . . . 0.0 113.025 -177.774 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -155.46 -76.57 0.1 Allowed 'General case' 0 CA--C 1.544 0.728 0 O-C-N 121.639 -0.663 . . . . 0.0 112.091 -169.626 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -73.22 45.06 0.15 Allowed 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 125.415 1.486 . . . . 0.0 114.105 -178.179 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -115.5 104.72 12.02 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 121.002 -1.061 . . . . 0.0 112.492 -169.03 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -63.65 -36.26 83.24 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 113.867 1.062 . . . . 0.0 113.867 176.686 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 94.8 m -152.16 121.91 6.97 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 120.312 -1.492 . . . . 0.0 111.105 176.903 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 94.9 m -58.13 -43.51 87.32 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.03 1.332 . . . . 0.0 114.166 -178.884 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 25.4 mp0 -65.71 -26.83 67.93 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.772 1.229 . . . . 0.0 114.17 -178.232 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -70.9 -51.3 26.97 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 120.422 1.464 . . . . 0.0 110.28 173.568 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.577 ' O ' HD13 ' A' ' 41' ' ' ILE . 43.5 mmm-85 -57.7 -48.25 80.1 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 115.228 -0.897 . . . . 0.0 111.047 174.114 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -80.48 -4.96 55.82 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 116.906 2.187 . . . . 0.0 116.906 175.107 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.89 -33.12 74.9 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 119.191 -2.193 . . . . 0.0 112.339 152.079 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 25.8 mmt180 -73.66 -38.77 64.85 Favored 'General case' 0 CA--C 1.553 1.065 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 168.667 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.577 HD13 ' O ' ' A' ' 37' ' ' ARG 0.313 3.4 mp -72.46 81.86 0.36 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.947 0 CA-C-O 127.598 3.571 . . . . 0.0 112.986 167.278 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.6 4.72 42.69 Favored 'General case' 0 CA--C 1.542 0.648 1 CA-C-N 106.662 -4.79 . . . . 0.0 116.814 -170.72 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 67.4 mt -65.8 -47.7 84.79 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.826 0 N-CA-C 114.283 1.216 . . . . 0.0 114.283 -165.105 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -167.94 158.24 30.94 Favored Glycine 0 CA--C 1.544 1.9 0 CA-C-O 117.375 -1.792 . . . . 0.0 115.828 178.491 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -52.08 -50.5 13.8 Favored 'Trans proline' 0 C--N 1.361 1.217 0 C-N-CA 125.279 3.986 . . . . 0.0 116.113 179.817 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.3 -29.99 71.21 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 113.463 0.912 . . . . 0.0 113.463 174.389 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 42.9 t -67.5 -61.63 1.81 Allowed 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 117.342 -1.313 . . . . 0.0 109.767 173.847 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -48.87 -36.88 8.44 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.683 0 CA-C-N 120.906 1.685 . . . . 0.0 115.295 172.51 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.6 ttpp -66.45 -58.72 4.66 Favored 'General case' 0 CA--C 1.554 1.111 0 CA-C-O 117.797 -1.097 . . . . 0.0 113.942 171.733 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -48.87 -43.45 38.93 Favored 'General case' 0 N--CA 1.482 1.153 0 CA-C-N 120.357 1.435 . . . . 0.0 111.281 171.873 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.421 ' CE2' HD11 ' A' ' 41' ' ' ILE . 3.5 t80 -55.86 -58.53 7.48 Favored 'General case' 0 C--N 1.349 0.544 0 CA-C-O 117.35 -1.309 . . . . 0.0 112.185 173.52 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 31.3 mttp -60.72 -31.97 71.25 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 120.994 1.724 . . . . 0.0 113.953 179.818 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -67.3 -52.86 35.35 Favored 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 113.552 0.945 . . . . 0.0 113.552 175.241 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 20.0 m -66.02 -28.02 68.55 Favored 'General case' 0 CA--C 1.55 0.958 0 N-CA-C 114.677 1.362 . . . . 0.0 114.677 169.411 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.9 t -69.97 -31.68 69.53 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 121.379 1.9 . . . . 0.0 112.79 170.637 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.436 ' O ' ' HG2' ' A' ' 60' ' ' GLN . 1.0 OUTLIER -55.14 -49.61 71.35 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-O 117.963 -1.018 . . . . 0.0 111.553 160.511 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 27.7 mm -55.44 -48.25 77.32 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.233 0 CA-C-N 120.235 1.379 . . . . 0.0 114.459 168.33 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.05 -51.07 65.22 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 114.056 1.132 . . . . 0.0 114.056 177.555 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 17.9 p30 -66.72 -34.55 78.09 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 120.288 1.403 . . . . 0.0 114.074 175.348 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.436 ' HG2' ' O ' ' A' ' 56' ' ' TYR . 48.3 mm-40 -67.15 -49.39 64.94 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 119.937 1.244 . . . . 0.0 112.774 171.774 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.1 p -66.48 -31.8 55.2 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.797 0 CA-C-N 120.574 1.534 . . . . 0.0 113.071 179.223 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.7 -41.24 94.78 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 119.517 1.053 . . . . 0.0 113.677 168.542 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.2 -29.35 63.89 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 114.293 1.22 . . . . 0.0 114.293 173.724 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 . . . . . 0 CA--C 1.544 0.738 0 N-CA-C 115.094 1.516 . . . . 0.0 115.094 175.082 . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.5 mp . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 118.846 -0.597 . . . . 0.0 109.889 . . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -55.93 -54.96 38.37 Favored 'General case' 0 C--N 1.347 0.488 0 CA-C-O 116.451 -1.738 . . . . 0.0 111.557 174.558 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -59.86 -28.96 67.97 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-N 123.454 2.843 . . . . 0.0 116.146 -179.324 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -86.1 -54.3 4.56 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 122.528 2.422 . . . . 0.0 114.059 167.547 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.05 1.58 4.47 Favored 'General case' 0 CA--C 1.555 1.166 0 N-CA-C 117.007 2.225 . . . . 0.0 117.007 173.071 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.6 -33.92 47.1 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 118.445 -2.66 . . . . 0.0 114.298 156.625 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 55.3 mttp -68.34 -49.92 56.9 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 114.009 1.114 . . . . 0.0 114.009 -170.318 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 61.37 -28.4 0.06 Allowed 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 116.914 2.19 . . . . 0.0 116.914 175.942 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 39.9 ttpt -59.96 -43.48 95.04 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.549 1.54 . . . . 0.0 111.553 162.673 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -77.31 66.06 3.0 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-O 124.299 2.0 . . . . 0.0 111.979 166.945 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.44 -48.29 82.22 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 110.793 -2.912 . . . . 0.0 114.694 -170.506 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 28.2 ttp -65.93 -28.79 69.18 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.953 0.901 . . . . 0.0 112.622 178.418 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 65.3 mt -87.33 -42.51 12.83 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 121.532 -0.73 . . . . 0.0 112.372 -174.621 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.93 -31.91 72.27 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-N 119.907 1.231 . . . . 0.0 112.98 160.344 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.9 tmtm? -68.83 -32.98 73.06 Favored 'General case' 0 CA--C 1.552 1.025 0 O-C-N 119.384 -2.073 . . . . 0.0 111.866 171.553 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.9 t -58.58 -41.34 85.51 Favored 'General case' 0 CA--C 1.551 1.004 0 CA-C-N 119.619 1.099 . . . . 0.0 112.612 165.275 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -47.39 -54.76 10.41 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-N 118.874 0.761 . . . . 0.0 111.565 160.655 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.276 5.2 m-30 -70.84 -27.36 63.8 Favored 'General case' 0 CA--C 1.552 1.044 0 N-CA-C 113.992 1.108 . . . . 0.0 113.992 -174.385 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -61.09 -34.69 75.32 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 115.034 1.494 . . . . 0.0 115.034 159.807 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.99 -36.64 86.53 Favored Glycine 0 CA--C 1.535 1.299 0 CA-C-N 119.158 0.89 . . . . 0.0 113.84 167.48 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.25 -54.72 13.29 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 114.546 1.313 . . . . 0.0 114.546 177.113 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . 0.265 2.0 p90 -80.81 45.43 0.81 Allowed 'General case' 0 CA--C 1.554 1.116 0 CA-C-N 122.799 2.545 . . . . 0.0 114.358 179.721 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 58.1 ttt85 -116.68 128.17 55.1 Favored 'General case' 0 CA--C 1.545 0.78 0 O-C-N 120.118 -1.614 . . . . 0.0 113.671 -169.43 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -100.34 76.8 1.9 Allowed 'General case' 0 CA--C 1.54 0.564 0 CA-C-O 123.437 1.589 . . . . 0.0 112.893 168.882 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -72.8 -42.96 63.35 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 112.976 -1.92 . . . . 0.0 112.503 173.089 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . 0.27 61.3 m-20 63.48 -40.62 0.2 Allowed 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 116.661 2.097 . . . . 0.0 116.661 179.689 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -74.25 -167.48 0.53 Allowed 'General case' 0 CA--C 1.559 1.299 0 CA-C-N 119.518 1.053 . . . . 0.0 113.504 160.336 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 27.1 m -73.21 104.47 4.27 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 119.584 -1.948 . . . . 0.0 112.41 -176.114 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.76 -45.1 93.29 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.009 1.324 . . . . 0.0 113.859 -171.887 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -68.92 -22.88 64.13 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 114.422 1.267 . . . . 0.0 114.422 179.301 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -73.95 -47.0 40.62 Favored 'General case' 0 CA--C 1.546 0.807 0 O-C-N 121.254 -0.904 . . . . 0.0 110.808 172.203 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.523 ' O ' HG13 ' A' ' 41' ' ' ILE . 24.5 mmt180 -57.86 -51.67 68.65 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.995 169.294 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -81.18 16.48 1.55 Allowed 'General case' 0 CA--C 1.55 0.952 0 N-CA-C 115.665 1.728 . . . . 0.0 115.665 170.995 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -78.54 -48.34 15.44 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 118.21 -2.806 . . . . 0.0 112.56 141.274 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.499 HH21 ' NE ' ' A' ' 37' ' ' ARG . 22.5 ptt-85 -80.32 -4.3 52.89 Favored 'General case' 0 CA--C 1.556 1.186 0 N-CA-C 116.818 2.155 . . . . 0.0 116.818 178.636 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.523 HG13 ' O ' ' A' ' 37' ' ' ARG 0.339 60.0 mt -71.79 83.85 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.968 0 CA-C-O 127.417 3.484 . . . . 0.0 112.803 170.957 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.38 14.09 1.05 Allowed 'General case' 0 CA--C 1.55 0.967 1 CA-C-N 108.188 -4.096 . . . . 0.0 117.043 -170.114 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 17.1 tt -68.64 -37.65 77.91 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.998 0 N-CA-C 114.867 1.432 . . . . 0.0 114.867 -172.693 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -179.94 136.13 2.66 Favored Glycine 0 CA--C 1.544 1.866 0 CA-C-O 115.644 -2.754 . . . . 0.0 114.05 177.105 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_exo -48.96 -55.37 4.21 Favored 'Trans proline' 0 C--N 1.362 1.243 2 C-N-CA 125.712 4.275 . . . . 0.0 118.047 -172.251 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -66.63 -30.95 71.35 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 113.389 0.885 . . . . 0.0 113.389 176.414 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 2.0 t -66.86 -60.71 2.42 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-O 115.702 -2.094 . . . . 0.0 108.222 175.742 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -47.97 -42.74 10.35 Favored 'Isoleucine or valine' 0 C--N 1.358 0.973 0 CA-C-N 122.55 2.432 . . . . 0.0 115.337 168.67 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 52.4 tttt -52.97 -61.5 2.26 Favored 'General case' 0 CA--C 1.554 1.115 0 CA-C-N 122.053 2.206 . . . . 0.0 113.378 173.948 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.33 -52.56 63.07 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 123.907 0.883 . . . . 0.0 111.653 175.792 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -58.89 -45.94 89.05 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.801 1.24 . . . . 0.0 114.002 178.311 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 15.8 ttmm -63.8 -42.77 97.65 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 120.434 1.47 . . . . 0.0 111.427 179.276 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -67.16 -43.32 82.54 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 176.949 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 10.0 m -64.67 -33.57 76.25 Favored 'General case' 0 CA--C 1.553 1.082 0 N-CA-C 114.934 1.457 . . . . 0.0 114.934 167.071 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.53 -41.25 94.06 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 120.713 1.597 . . . . 0.0 111.535 168.929 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -54.7 -46.62 74.19 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-O 117.947 -1.025 . . . . 0.0 112.795 166.57 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 29.9 mm -57.13 -48.79 81.4 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 CA-C-N 120.263 1.392 . . . . 0.0 113.619 169.454 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.19 -47.07 75.77 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 173.823 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -65.38 -38.05 88.86 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.271 1.028 . . . . 0.0 113.261 173.446 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -65.05 -46.51 80.95 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 119.15 0.886 . . . . 0.0 112.503 173.481 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 82.0 t -62.78 -38.08 80.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 CA-C-N 119.371 0.987 . . . . 0.0 112.366 173.834 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 39.1 ttm-85 -60.54 -39.52 88.21 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 113.404 0.89 . . . . 0.0 113.404 172.13 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.95 -52.23 9.76 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 113.737 1.014 . . . . 0.0 113.737 172.32 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 . . . . . 0 CA--C 1.55 0.972 0 CA-C-O 123.618 1.675 . . . . 0.0 112.243 -177.488 . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 78.6 mt . . . . . 0 N--CA 1.476 0.869 0 CA-C-O 118.631 -0.7 . . . . 0.0 111.257 . . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -70.05 -34.62 73.45 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-O 116.896 -1.526 . . . . 0.0 113.348 178.092 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -66.37 -46.33 77.07 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 122.764 2.529 . . . . 0.0 113.913 174.788 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -106.54 27.49 8.76 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 123.139 2.699 . . . . 0.0 113.466 173.318 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.83 -63.31 1.41 Allowed 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 119.188 3.032 . . . . 0.0 119.188 114.52 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.34 -45.93 74.93 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 117.268 2.321 . . . . 0.0 117.268 -167.199 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.8 ttpm? -81.87 52.62 1.98 Allowed 'General case' 0 CA--C 1.554 1.122 0 CA-C-O 124.155 1.931 . . . . 0.0 113.449 -169.672 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -124.15 -131.95 0.26 Allowed 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 126.479 1.912 . . . . 0.0 106.824 162.776 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -98.52 46.45 1.0 Allowed 'General case' 0 CA--C 1.548 0.903 0 O-C-N 119.762 -1.836 . . . . 0.0 110.536 152.962 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . 0.363 6.0 p90 31.27 -76.41 0.0 OUTLIER 'General case' 0 CA--C 1.549 0.919 0 N-CA-C 118.614 2.82 . . . . 0.0 118.614 -167.43 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.58 -60.79 3.02 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 118.094 2.627 . . . . 0.0 118.094 -144.427 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 38.2 ttp -70.7 -29.34 65.62 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-O 122.318 1.056 . . . . 0.0 112.603 -176.342 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 55.9 mt -85.51 -49.86 7.73 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.994 -174.892 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 44.3 tttp -36.74 -46.85 0.63 Allowed 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 117.909 2.559 . . . . 0.0 117.909 148.497 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.85 -40.46 92.98 Favored 'General case' 0 CA--C 1.553 1.077 0 CA-C-N 122.687 2.494 . . . . 0.0 111.617 171.444 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 35.6 m -62.03 -35.89 79.92 Favored 'General case' 0 CA--C 1.548 0.881 0 CA-C-N 121.173 1.806 . . . . 0.0 114.85 168.44 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -49.15 -48.35 44.94 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 119.163 0.892 . . . . 0.0 111.04 162.073 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.278 6.0 m-30 -75.94 -27.79 57.72 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 114.183 1.179 . . . . 0.0 114.183 -174.732 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -57.97 -40.78 81.47 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 159.988 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.72 -50.83 51.62 Favored Glycine 0 CA--C 1.533 1.207 0 N-CA-C 115.138 0.815 . . . . 0.0 115.138 170.649 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.45 -37.36 72.72 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.07 1.348 . . . . 0.0 113.862 178.974 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -70.58 76.94 0.58 Allowed 'General case' 0 CA--C 1.548 0.894 0 CA-C-O 122.162 0.982 . . . . 0.0 111.086 161.804 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.5 108.69 2.49 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-O 121.986 0.898 . . . . 0.0 112.144 173.83 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 54.7 m-80 -100.82 -93.89 0.28 Allowed 'General case' 0 CA--C 1.547 0.83 0 O-C-N 121.732 -0.605 . . . . 0.0 112.385 179.436 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -62.47 -57.57 10.75 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 116.412 2.004 . . . . 0.0 116.412 -160.959 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -153.67 167.04 30.91 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-O 122.205 1.002 . . . . 0.0 113.033 -170.791 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.39 -24.19 67.24 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 115.936 1.828 . . . . 0.0 115.936 179.558 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 86.5 m -88.33 92.0 9.0 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 120.158 1.344 . . . . 0.0 110.012 -175.268 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 76.0 m -55.58 -38.5 69.48 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 114.673 1.36 . . . . 0.0 114.673 -175.0 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -71.13 -9.11 57.51 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 175.736 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -74.77 -56.13 5.11 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 122.068 2.213 . . . . 0.0 109.888 167.016 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.509 ' O ' HD13 ' A' ' 41' ' ' ILE . 32.1 mtm180 -53.1 -49.32 66.7 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 114.553 -1.203 . . . . 0.0 111.225 171.587 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -95.21 16.72 15.84 Favored 'General case' 0 CA--C 1.551 1.003 0 N-CA-C 116.941 2.2 . . . . 0.0 116.941 177.622 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.51 -38.13 65.44 Favored 'General case' 0 CA--C 1.54 0.562 0 O-C-N 119.387 -2.071 . . . . 0.0 111.765 140.644 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 21.6 mmt180 -69.43 -47.68 63.33 Favored 'General case' 0 CA--C 1.553 1.093 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 173.315 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.509 HD13 ' O ' ' A' ' 37' ' ' ARG . 3.5 mp -70.05 87.91 0.25 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.841 0 CA-C-O 127.222 3.391 . . . . 0.0 112.381 164.581 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.63 2.65 55.69 Favored 'General case' 0 CA--C 1.547 0.83 1 CA-C-N 106.694 -4.775 . . . . 0.0 116.218 -171.603 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 76.3 mt -62.23 -42.87 96.95 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.856 0 N-CA-C 114.595 1.331 . . . . 0.0 114.595 -162.644 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -176.87 160.91 28.42 Favored Glycine 0 CA--C 1.544 1.859 0 CA-C-O 117.651 -1.638 . . . . 0.0 115.609 174.795 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -50.93 -46.82 28.54 Favored 'Trans proline' 0 C--N 1.362 1.261 1 C-N-CA 125.385 4.057 . . . . 0.0 116.158 178.471 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -69.91 -27.04 64.45 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 113.178 0.807 . . . . 0.0 113.178 175.431 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.62 -54.2 17.94 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-O 117.589 -1.196 . . . . 0.0 111.125 171.736 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -49.01 -43.42 15.13 Favored 'Isoleucine or valine' 0 C--N 1.352 0.675 0 CA-C-N 120.308 1.413 . . . . 0.0 114.521 167.076 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.7 tttm -60.82 -52.3 65.67 Favored 'General case' 0 CA--C 1.552 1.048 0 N-CA-C 114.351 1.241 . . . . 0.0 114.351 175.416 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.56 -46.4 80.74 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 119.399 0.999 . . . . 0.0 111.467 171.387 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.449 ' CE2' HD11 ' A' ' 41' ' ' ILE . 4.2 t80 -53.87 -59.33 4.77 Favored 'General case' 0 C--N 1.349 0.544 0 C-N-CA 124.587 1.155 . . . . 0.0 111.472 174.884 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.11 -33.06 74.91 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 113.676 0.991 . . . . 0.0 113.676 -177.116 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -64.73 -57.14 9.78 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 120.297 1.408 . . . . 0.0 111.106 172.735 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.7 m -58.5 -42.09 86.86 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 114.415 1.265 . . . . 0.0 114.415 174.688 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 42.7 t -64.19 -39.37 93.84 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 120.047 1.294 . . . . 0.0 113.562 175.671 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -57.38 -51.41 69.52 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 119.939 1.245 . . . . 0.0 112.08 167.843 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 6.6 mt -65.94 -36.09 76.66 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.897 0 N-CA-C 113.056 0.762 . . . . 0.0 113.056 177.986 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.04 -46.64 82.25 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 167.867 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -65.59 -35.83 81.98 Favored 'General case' 0 CA--C 1.547 0.854 0 CA-C-N 119.607 1.094 . . . . 0.0 113.521 171.468 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -58.83 -45.18 90.61 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.058 0.943 . . . . 0.0 112.415 167.741 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 82.8 t -60.58 -43.93 95.67 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.782 0 CA-C-N 119.135 0.88 . . . . 0.0 112.589 170.22 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 26.0 mmt85 -61.53 -33.15 73.34 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 120.486 1.494 . . . . 0.0 114.337 171.568 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.86 -33.64 74.13 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 113.857 1.058 . . . . 0.0 113.857 168.073 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 . . . . . 0 CA--C 1.545 0.774 0 O-C-N 121.358 -0.839 . . . . 0.0 113.122 169.944 . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 81.9 mt . . . . . 0 N--CA 1.474 0.741 0 CA-C-O 118.896 -0.573 . . . . 0.0 111.388 . . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -62.94 -48.05 80.58 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-O 117.402 -1.285 . . . . 0.0 113.829 172.814 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -54.74 -45.27 74.11 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 115.342 1.608 . . . . 0.0 115.342 179.371 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -138.7 46.93 1.97 Allowed 'General case' 0 N--CA 1.472 0.661 0 CA-C-O 124.532 2.11 . . . . 0.0 111.54 -177.678 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.34 -59.66 4.67 Favored 'General case' 0 CA--C 1.548 0.872 1 N-CA-C 122.605 4.298 . . . . 0.0 122.605 85.556 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.97 -49.41 70.4 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 123.267 2.758 . . . . 0.0 118.049 -168.724 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -68.11 38.3 0.03 OUTLIER 'General case' 0 CA--C 1.556 1.194 0 N-CA-C 116.604 2.075 . . . . 0.0 116.604 -172.72 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -117.91 -131.16 0.31 Allowed 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 126.031 1.733 . . . . 0.0 107.759 170.189 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -99.04 40.72 1.18 Allowed 'General case' 0 CA--C 1.548 0.878 0 O-C-N 119.758 -1.839 . . . . 0.0 111.071 155.533 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 53.94 -86.14 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 126.206 1.802 . . . . 0.0 113.996 -174.345 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.84 -60.67 3.3 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 117.85 2.537 . . . . 0.0 117.85 -143.251 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 34.1 ttm -68.65 -36.19 78.25 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.563 0.745 . . . . 0.0 112.504 -175.35 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -75.12 -51.81 12.53 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 124.551 1.14 . . . . 0.0 111.226 -179.321 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 50.1 tttp -39.9 -47.18 2.14 Favored 'General case' 0 CA--C 1.549 0.912 0 N-CA-C 117.61 2.448 . . . . 0.0 117.61 154.406 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.5 tmtm? -59.34 -40.35 86.08 Favored 'General case' 0 CA--C 1.551 0.998 0 CA-C-N 122.16 2.254 . . . . 0.0 112.568 170.905 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 61.3 m -63.08 -36.97 85.34 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 120.946 1.703 . . . . 0.0 114.468 169.014 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -48.99 -47.64 44.09 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.892 0.877 . . . . 0.0 111.613 162.909 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.283 6.6 m-30 -76.2 -29.59 57.69 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 114.077 1.14 . . . . 0.0 114.077 -174.553 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -57.48 -40.54 78.82 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 112.767 0.654 . . . . 0.0 112.767 160.553 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.24 -50.41 56.67 Favored Glycine 0 CA--C 1.533 1.195 0 N-CA-C 115.242 0.857 . . . . 0.0 115.242 170.005 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.96 -37.35 71.44 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.86 1.264 . . . . 0.0 114.218 179.397 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 70.5 m-85 -71.03 75.42 0.65 Allowed 'General case' 0 CA--C 1.551 1.005 0 CA-C-O 122.095 0.95 . . . . 0.0 112.306 165.426 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.3 tpm_? -71.15 108.99 4.93 Favored 'General case' 0 CA--C 1.551 1.008 0 O-C-N 120.738 -1.227 . . . . 0.0 113.929 173.335 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.4 p-10 -83.08 102.45 11.82 Favored 'General case' 0 CA--C 1.547 0.837 0 O-C-N 120.484 -1.385 . . . . 0.0 111.472 168.099 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -69.34 61.47 0.13 Allowed 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 125.685 1.594 . . . . 0.0 115.218 -173.017 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -137.98 -68.94 0.45 Allowed 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 114.812 -1.086 . . . . 0.0 113.161 177.5 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -74.46 -173.66 1.81 Allowed 'General case' 0 CA--C 1.555 1.147 0 N-CA-C 115.461 1.652 . . . . 0.0 115.461 173.334 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 66.6 p -99.6 148.06 24.71 Favored 'General case' 0 N--CA 1.475 0.808 0 O-C-N 119.554 -1.966 . . . . 0.0 112.96 174.088 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 52.5 t -62.46 -48.72 78.42 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 114.247 1.203 . . . . 0.0 114.247 -173.869 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.3 mp0 -66.89 -32.39 73.61 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.128 0.971 . . . . 0.0 113.471 179.861 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -62.61 -50.78 69.88 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.078 1.351 . . . . 0.0 112.185 169.211 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.581 ' O ' HD13 ' A' ' 41' ' ' ILE . 19.3 ttp180 -54.86 -52.98 61.1 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 114.683 -1.144 . . . . 0.0 111.129 172.937 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -81.12 -2.66 49.25 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 117.28 2.326 . . . . 0.0 117.28 176.095 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.19 -36.36 81.59 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 119.615 -1.928 . . . . 0.0 112.266 152.535 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 49.3 mtt85 -70.52 -38.45 74.25 Favored 'General case' 0 CA--C 1.551 1.019 0 N-CA-C 113.58 0.956 . . . . 0.0 113.58 169.037 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.581 HD13 ' O ' ' A' ' 37' ' ' ARG 0.313 3.4 mp -73.23 84.89 0.46 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.938 0 CA-C-O 127.184 3.373 . . . . 0.0 113.934 170.582 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 32.3 mmtm -92.47 14.71 15.9 Favored 'General case' 0 CA--C 1.547 0.832 1 CA-C-N 107.162 -4.563 . . . . 0.0 116.172 -175.974 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 83.2 mt -65.26 -42.11 93.15 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.933 0 CA-C-N 119.916 1.235 . . . . 0.0 113.695 -171.177 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -178.03 159.94 25.92 Favored Glycine 0 CA--C 1.545 1.957 0 CA-C-O 117.349 -1.806 . . . . 0.0 114.983 173.856 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_exo -51.64 -49.87 15.81 Favored 'Trans proline' 0 C--N 1.361 1.185 0 C-N-CA 125.213 3.942 . . . . 0.0 116.245 179.378 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -68.39 -24.61 64.79 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 113.639 0.978 . . . . 0.0 113.639 174.986 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -71.2 -53.74 13.39 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 117.629 -1.177 . . . . 0.0 110.852 172.966 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -51.0 -40.27 20.54 Favored 'Isoleucine or valine' 0 C--N 1.352 0.692 0 CA-C-N 120.68 1.582 . . . . 0.0 114.494 167.176 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.0 tttm -63.39 -49.81 72.34 Favored 'General case' 0 CA--C 1.555 1.168 0 N-CA-C 114.455 1.28 . . . . 0.0 114.455 173.607 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.28 -44.99 84.48 Favored 'General case' 0 N--CA 1.481 1.075 0 CA-C-N 120.921 1.691 . . . . 0.0 111.152 170.496 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.431 ' CE2' HD11 ' A' ' 41' ' ' ILE . 3.4 t80 -53.61 -60.24 3.57 Favored 'General case' 0 C--N 1.349 0.56 0 C-N-CA 124.53 1.132 . . . . 0.0 111.414 174.087 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -59.49 -40.95 88.68 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 119.482 1.037 . . . . 0.0 113.349 -178.864 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.419 ' O ' HG12 ' A' ' 57' ' ' ILE . 15.2 t70 -60.89 -55.63 30.77 Favored 'General case' 0 CA--C 1.549 0.918 0 CA-C-N 119.938 1.244 . . . . 0.0 112.239 176.226 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.9 m -58.8 -44.93 90.91 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 171.869 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 12.3 t -61.85 -40.38 95.12 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 119.956 1.253 . . . . 0.0 112.82 177.464 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -60.37 -49.97 75.48 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-O 117.499 -1.239 . . . . 0.0 112.289 169.248 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.419 HG12 ' O ' ' A' ' 53' ' ' ASP . 14.5 mm -59.8 -46.38 93.72 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 CA-C-N 120.671 1.578 . . . . 0.0 111.894 176.755 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.65 -50.55 71.74 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.346 1.058 . . . . 0.0 113.472 173.678 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -64.93 -35.95 82.81 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 119.347 0.976 . . . . 0.0 113.285 177.344 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 29.6 tp60 -66.87 -46.55 74.62 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 119.515 1.052 . . . . 0.0 111.946 172.717 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 71.1 t -64.22 -43.22 97.25 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.722 0 O-C-N 121.438 -0.789 . . . . 0.0 112.631 173.976 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 28.2 mmm180 -67.14 -27.21 67.12 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 120.487 1.494 . . . . 0.0 114.822 173.949 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.85 -54.84 11.69 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 120.188 1.358 . . . . 0.0 112.653 164.741 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 . . . . . 0 CA--C 1.55 0.959 0 CA-C-O 122.994 1.378 . . . . 0.0 114.579 -179.216 . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.3 mp . . . . . 0 C--O 1.224 -0.259 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.929 . . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -63.63 -42.68 98.13 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 123.129 2.695 . . . . 0.0 114.379 169.387 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -55.12 -41.33 71.56 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.782 1.233 . . . . 0.0 114.053 175.855 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -143.97 56.7 1.33 Allowed 'General case' 0 N--CA 1.472 0.665 0 CA-C-O 125.053 2.359 . . . . 0.0 111.491 175.684 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.54 -51.32 70.39 Favored 'General case' 0 CA--C 1.549 0.917 1 N-CA-C 121.858 4.022 . . . . 0.0 121.858 81.165 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.31 -46.64 66.64 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 117.925 2.565 . . . . 0.0 117.925 -173.7 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 30.6 ttmt -51.99 -3.05 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.124 0 N-CA-C 118.615 2.82 . . . . 0.0 118.615 -174.786 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -92.76 -109.9 0.11 Allowed 'General case' 0 CA--C 1.551 0.991 0 O-C-N 119.538 -1.976 . . . . 0.0 109.784 -177.171 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -107.33 43.19 1.2 Allowed 'General case' 0 CA--C 1.547 0.848 0 O-C-N 118.726 -2.484 . . . . 0.0 111.554 160.591 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 56.4 -94.86 0.05 OUTLIER 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 126.124 1.77 . . . . 0.0 114.734 179.056 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.37 -53.63 22.69 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 116.248 1.944 . . . . 0.0 116.248 -155.0 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 35.4 ttm -70.09 -34.11 72.73 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.589 0.756 . . . . 0.0 112.244 -176.81 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -78.42 -45.27 22.7 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.04 0.936 . . . . 0.0 112.599 178.322 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 51.3 tttp -44.16 -43.66 7.22 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 117.432 2.382 . . . . 0.0 117.432 151.823 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.0 tptp -63.77 -33.53 75.87 Favored 'General case' 0 CA--C 1.558 1.267 0 CA-C-N 122.427 2.376 . . . . 0.0 113.321 170.257 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 63.1 m -59.22 -42.42 90.95 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 121.25 1.841 . . . . 0.0 114.206 166.019 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.6 t -48.8 -51.57 28.61 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.814 0.846 . . . . 0.0 110.683 164.285 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.303 5.6 m-30 -73.86 -21.42 60.1 Favored 'General case' 0 CA--C 1.551 1.014 0 N-CA-C 114.314 1.227 . . . . 0.0 114.314 -174.658 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -60.47 -42.68 96.71 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.448 0.699 . . . . 0.0 112.882 158.334 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.28 -47.49 84.17 Favored Glycine 0 CA--C 1.535 1.3 0 N-CA-C 115.219 0.847 . . . . 0.0 115.219 170.109 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.29 -36.46 80.12 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 177.977 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -67.89 93.21 0.39 Allowed 'General case' 0 CA--C 1.55 0.971 0 CA-C-N 119.162 0.892 . . . . 0.0 110.872 163.45 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 66.8 ttt180 -127.61 130.95 49.89 Favored 'General case' 0 CA--C 1.546 0.803 0 O-C-N 120.747 -1.221 . . . . 0.0 113.572 169.109 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 15.1 p30 -98.79 171.6 7.98 Favored 'General case' 0 CA--C 1.552 1.026 0 O-C-N 121.069 -1.019 . . . . 0.0 112.771 162.215 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -59.2 -24.58 63.24 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 116.121 1.897 . . . . 0.0 116.121 -174.165 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -84.26 -27.57 27.8 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 113.909 1.077 . . . . 0.0 113.909 179.692 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -71.15 135.02 47.4 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 114.844 1.424 . . . . 0.0 114.844 -177.394 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 80.4 m -115.26 130.69 56.98 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 120.823 -1.173 . . . . 0.0 110.715 173.225 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 93.0 m -55.12 -59.05 5.29 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 115.588 1.699 . . . . 0.0 115.588 -161.78 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -79.27 -15.01 58.65 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 114.319 1.229 . . . . 0.0 114.319 -178.404 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -67.64 -58.16 5.16 Favored 'General case' 0 C--O 1.242 0.689 0 CA-C-N 119.511 1.051 . . . . 0.0 110.533 167.12 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.562 ' O ' HD13 ' A' ' 41' ' ' ILE . 28.7 ptt180 -66.91 -37.61 84.68 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 117.492 -1.242 . . . . 0.0 111.839 176.568 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . 0.259 . . -89.65 11.03 20.97 Favored 'General case' 0 CA--C 1.55 0.969 0 CA-C-N 122.29 2.313 . . . . 0.0 116.636 172.339 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.13 -41.6 63.8 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 119.228 -2.17 . . . . 0.0 111.769 142.263 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 36.1 ttp-105 -69.45 -40.5 77.15 Favored 'General case' 0 CA--C 1.556 1.211 0 N-CA-C 114.01 1.115 . . . . 0.0 114.01 172.686 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.562 HD13 ' O ' ' A' ' 37' ' ' ARG . 3.3 mp -72.83 83.73 0.41 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.839 0 CA-C-O 127.021 3.296 . . . . 0.0 112.011 160.896 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -100.43 19.14 17.31 Favored 'General case' 0 CA--C 1.548 0.884 1 CA-C-N 107.442 -4.435 . . . . 0.0 115.225 -174.817 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 81.0 mt -66.11 -41.13 88.89 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.866 0 C-N-CA 124.095 0.958 . . . . 0.0 113.492 -171.292 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -174.14 158.97 28.02 Favored Glycine 0 CA--C 1.544 1.899 0 CA-C-O 117.617 -1.657 . . . . 0.0 115.402 174.825 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -51.31 -46.1 33.3 Favored 'Trans proline' 0 C--N 1.361 1.202 0 C-N-CA 125.297 3.998 . . . . 0.0 116.068 176.924 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 57.9 mtmt -67.7 -28.54 67.76 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.946 0.898 . . . . 0.0 113.042 175.314 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 47.2 t -70.23 -54.62 11.98 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-O 117.188 -1.386 . . . . 0.0 110.852 173.684 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -49.94 -42.46 18.88 Favored 'Isoleucine or valine' 0 C--N 1.352 0.683 0 CA-C-N 120.605 1.548 . . . . 0.0 114.65 167.907 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 32.5 tttm -62.74 -52.56 62.75 Favored 'General case' 0 CA--C 1.551 0.986 0 CA-C-O 117.441 -1.266 . . . . 0.0 113.72 173.133 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.22 -44.11 75.12 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 121.192 1.815 . . . . 0.0 111.162 173.334 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.447 ' CE2' HD11 ' A' ' 41' ' ' ILE . 3.2 t80 -55.13 -55.02 35.82 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.719 1.208 . . . . 0.0 112.22 172.956 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 18.4 tppt? -63.75 -39.94 95.49 Favored 'General case' 0 CA--C 1.55 0.961 0 CA-C-N 119.685 1.13 . . . . 0.0 113.793 179.03 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -53.95 -57.44 11.0 Favored 'General case' 0 CA--C 1.554 1.123 0 CA-C-N 120.466 1.485 . . . . 0.0 112.798 170.465 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 5.9 m -61.18 -34.34 74.9 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 115.702 1.741 . . . . 0.0 115.702 170.973 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -66.55 -34.27 77.53 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 121.065 1.757 . . . . 0.0 112.322 171.596 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -58.84 -47.07 86.15 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-O 116.576 -1.678 . . . . 0.0 112.852 164.239 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.481 1.9 pp -70.54 -28.27 34.12 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 CA-C-N 122.987 2.63 . . . . 0.0 115.353 171.75 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.73 -42.78 84.57 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 121.646 2.021 . . . . 0.0 112.549 168.032 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -62.24 -46.51 88.51 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 113.335 0.865 . . . . 0.0 113.335 168.381 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -59.78 -46.72 88.3 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 119.379 0.99 . . . . 0.0 112.914 174.48 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 71.5 t -62.79 -42.46 96.4 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.637 0 CA-C-O 117.966 -1.016 . . . . 0.0 112.35 173.833 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 25.3 tpt85 -69.24 -31.37 69.88 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-N 121.199 1.818 . . . . 0.0 114.194 174.665 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.88 -33.57 74.98 Favored 'General case' 0 CA--C 1.547 0.858 0 O-C-N 120.165 -1.584 . . . . 0.0 113.677 167.597 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 . . . . . 0 CA--C 1.548 0.884 0 C-N-CA 124.593 1.157 . . . . 0.0 113.165 171.991 . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 5.8 mt . . . . . 0 N--CA 1.481 1.093 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 . . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -60.13 -62.37 1.92 Allowed 'General case' 0 CA--C 1.543 0.682 0 CA-C-O 117.683 -1.151 . . . . 0.0 111.99 170.95 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -71.95 -23.19 61.41 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 122.494 2.406 . . . . 0.0 115.714 -176.034 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -95.78 -24.47 16.47 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 121.004 1.729 . . . . 0.0 113.527 175.4 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -107.73 21.89 16.76 Favored 'General case' 0 CA--C 1.555 1.137 0 N-CA-C 121.723 3.971 . . . . 0.0 121.723 160.195 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.92 21.65 0.0 OUTLIER 'General case' 0 CA--C 1.558 1.273 0 N-CA-C 121.168 3.766 . . . . 0.0 121.168 -178.934 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 80.0 tttt 51.98 57.01 6.96 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 126.81 2.044 . . . . 0.0 111.776 -173.383 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.1 p90 -125.97 -137.77 0.27 Allowed 'General case' 0 CA--C 1.551 0.996 0 CA-C-N 113.876 -1.511 . . . . 0.0 111.651 -159.184 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -76.14 -52.94 9.05 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.998 1.319 . . . . 0.0 112.857 -177.189 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -89.69 69.48 7.72 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-O 123.986 1.85 . . . . 0.0 112.302 -172.844 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.52 -39.32 90.6 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 111.46 -2.609 . . . . 0.0 115.182 -178.987 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 46.4 ttp -67.84 -31.81 71.9 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 123.891 0.876 . . . . 0.0 112.735 175.666 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -80.11 -40.22 27.96 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.449 1.1 . . . . 0.0 112.825 177.554 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 46.0 tttp -49.08 -43.53 41.16 Favored 'General case' 0 CA--C 1.552 1.024 0 N-CA-C 114.61 1.337 . . . . 0.0 114.61 153.619 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -66.99 -25.59 66.39 Favored 'General case' 0 CA--C 1.56 1.329 0 O-C-N 119.493 -2.004 . . . . 0.0 112.859 171.73 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 56.7 m -62.64 -41.37 99.0 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 121.39 1.905 . . . . 0.0 114.51 161.436 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -48.08 -49.98 29.77 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 118.748 0.703 . . . . 0.0 110.654 162.115 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.318 4.1 m-30 -76.34 -17.87 59.19 Favored 'General case' 0 CA--C 1.551 1.018 0 N-CA-C 114.656 1.354 . . . . 0.0 114.656 -176.024 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -61.09 -45.36 95.02 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-N 119.992 1.269 . . . . 0.0 113.203 154.864 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.76 -45.42 94.89 Favored Glycine 0 CA--C 1.534 1.249 0 CA-C-O 119.284 -0.731 . . . . 0.0 114.217 171.809 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.59 -46.08 84.23 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 113.746 1.017 . . . . 0.0 113.746 173.7 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 23.3 t80 -77.49 73.97 4.06 Favored 'General case' 0 CA--C 1.552 1.022 0 CA-C-O 123.863 1.792 . . . . 0.0 111.123 172.4 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 21.0 ttt-85 -74.46 123.01 23.93 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 113.48 -1.691 . . . . 0.0 114.278 -178.4 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -148.52 -73.06 0.19 Allowed 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 115.709 1.744 . . . . 0.0 115.709 -175.196 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -67.06 0.33 2.69 Favored 'General case' 0 CA--C 1.553 1.063 0 N-CA-C 118.88 2.919 . . . . 0.0 118.88 -166.249 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -161.48 152.76 18.62 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 121.346 1.885 . . . . 0.0 112.809 173.905 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -69.01 -36.02 77.33 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 114.121 1.156 . . . . 0.0 114.121 168.311 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 12.1 t -113.33 137.34 51.64 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 123.1 2.682 . . . . 0.0 114.021 -177.099 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 84.2 m -63.71 -47.68 80.16 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 115.676 1.732 . . . . 0.0 115.676 -166.066 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.28 -28.11 61.05 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-O 117.811 -1.09 . . . . 0.0 113.827 -175.506 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.36 -45.48 69.26 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 121.528 1.967 . . . . 0.0 110.471 170.154 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.559 ' O ' HD13 ' A' ' 41' ' ' ILE . 34.0 ttt180 -53.61 -53.8 46.63 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.97 0.908 . . . . 0.0 111.261 171.14 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -85.9 6.13 29.79 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 116.994 2.22 . . . . 0.0 116.994 175.824 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.35 -32.2 64.39 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 119.519 -1.988 . . . . 0.0 112.663 149.073 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 63.4 mtt180 -67.95 -42.4 81.02 Favored 'General case' 0 CA--C 1.55 0.969 0 CA-C-N 118.988 0.813 . . . . 0.0 111.993 167.583 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.559 HD13 ' O ' ' A' ' 37' ' ' ARG 0.277 3.4 mp -76.81 85.17 0.79 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.913 0 CA-C-O 126.944 3.259 . . . . 0.0 113.538 170.467 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 60.0 mtpt -84.5 0.66 48.96 Favored 'General case' 0 CA--C 1.545 0.765 1 CA-C-N 107.549 -4.387 . . . . 0.0 116.631 -173.284 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 75.2 mt -63.36 -41.57 93.21 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.921 0 N-CA-C 114.719 1.377 . . . . 0.0 114.719 -163.698 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 177.78 168.5 37.47 Favored Glycine 0 CA--C 1.546 1.986 0 CA-C-N 120.801 1.637 . . . . 0.0 116.628 174.389 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_exo -51.86 -52.55 8.72 Favored 'Trans proline' 0 C--N 1.363 1.315 1 C-N-CA 125.323 4.015 . . . . 0.0 115.862 176.404 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 14.0 mmmt -54.98 -35.8 64.71 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.58 1.152 . . . . 0.0 113.717 171.274 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 45.1 t -67.17 -59.98 2.99 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 116.569 -1.681 . . . . 0.0 110.804 177.058 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -48.59 -43.39 13.36 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 CA-C-N 120.944 1.702 . . . . 0.0 115.512 171.14 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.7 mtpm? -60.18 -57.09 14.29 Favored 'General case' 0 CA--C 1.552 1.031 0 N-CA-C 115.256 1.576 . . . . 0.0 115.256 174.414 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.21 -46.84 72.57 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 124.033 0.933 . . . . 0.0 110.626 172.405 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.434 ' CE2' HD11 ' A' ' 41' ' ' ILE . 3.4 t80 -54.73 -54.36 42.88 Favored 'General case' 0 C--N 1.349 0.582 0 C-N-CA 124.734 1.214 . . . . 0.0 112.124 174.464 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 8.0 tptp -61.84 -40.91 96.98 Favored 'General case' 0 C--O 1.242 0.693 0 N-CA-C 114.235 1.198 . . . . 0.0 114.235 -176.742 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -71.77 -41.32 68.51 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 114.289 1.218 . . . . 0.0 114.289 175.242 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 4.6 m -61.92 -35.02 77.16 Favored 'General case' 0 CA--C 1.549 0.923 0 N-CA-C 114.509 1.3 . . . . 0.0 114.509 166.484 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 5.7 t -63.78 -34.91 78.96 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 120.884 1.675 . . . . 0.0 112.469 171.16 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -59.08 -52.22 66.69 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-O 116.481 -1.723 . . . . 0.0 113.298 164.123 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.417 1.8 pp -69.1 -27.14 34.01 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 CA-C-N 122.93 2.605 . . . . 0.0 115.065 175.998 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.3 -47.64 84.64 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.826 0.85 . . . . 0.0 112.484 168.565 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 53.9 m-80 -63.61 -35.73 81.46 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 171.023 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -62.01 -52.68 63.0 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-O 117.294 -1.336 . . . . 0.0 113.414 169.539 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 33.6 m -68.2 -24.63 30.18 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 CA-C-N 121.862 2.119 . . . . 0.0 114.151 176.608 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 15.8 ttp85 -65.56 -43.47 89.76 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 119.614 1.097 . . . . 0.0 112.721 166.614 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -80.71 -52.39 7.6 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 114.636 1.347 . . . . 0.0 114.636 175.116 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 . . . . . 0 CA--C 1.549 0.912 0 CA-C-O 123.267 1.508 . . . . 0.0 112.816 -173.906 . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 5.2 mp . . . . . 0 N--CA 1.483 1.178 0 CA-C-O 118.815 -0.612 . . . . 0.0 110.358 . . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.3 tm-20 -57.83 -45.9 85.49 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-O 117.956 -1.021 . . . . 0.0 112.463 174.152 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -63.45 -44.88 93.22 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 122.257 2.299 . . . . 0.0 114.305 174.005 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.443 ' O ' ' HE1' ' A' ' 13' ' ' TYR . 7.0 mm-40 -73.18 -39.29 65.72 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 114.395 1.257 . . . . 0.0 114.395 177.221 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -106.12 43.42 1.14 Allowed 'General case' 0 CA--C 1.55 0.95 0 N-CA-C 119.692 3.219 . . . . 0.0 119.692 163.56 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.71 20.09 0.01 OUTLIER 'General case' 0 CA--C 1.557 1.234 0 N-CA-C 118.557 2.799 . . . . 0.0 118.557 168.141 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt 44.49 55.77 5.5 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 127.258 2.223 . . . . 0.0 113.97 -172.978 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.443 ' HE1' ' O ' ' A' ' 9' ' ' GLU . 1.7 p90 -122.25 -129.27 0.27 Allowed 'General case' 0 CA--C 1.551 0.998 0 CA-C-N 114.2 -1.363 . . . . 0.0 112.782 -156.157 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 34.0 mtpt -76.3 -52.76 9.32 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 120.404 -1.435 . . . . 0.0 112.555 -177.686 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 36.9 m-85 -89.94 72.39 7.47 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-O 123.546 1.641 . . . . 0.0 112.5 -167.72 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.96 -42.91 81.01 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 111.634 -2.53 . . . . 0.0 115.157 -178.178 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 34.8 ttm -68.81 -28.79 67.08 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.291 1.036 . . . . 0.0 112.651 176.027 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 45.3 mt -92.17 -35.4 13.87 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 121.164 -0.96 . . . . 0.0 111.788 -173.862 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.02 -30.04 68.89 Favored 'General case' 0 CA--C 1.552 1.024 0 O-C-N 119.785 -1.822 . . . . 0.0 114.328 153.341 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.3 tmtm? -65.73 -34.24 77.73 Favored 'General case' 0 CA--C 1.553 1.09 0 CA-C-N 122.632 2.469 . . . . 0.0 111.739 165.933 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 67.8 m -56.22 -41.01 74.96 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 121.471 1.942 . . . . 0.0 114.24 163.754 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -49.46 -53.2 24.29 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 118.618 0.644 . . . . 0.0 110.875 161.576 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.292 6.8 m-30 -74.29 -19.71 60.38 Favored 'General case' 0 CA--C 1.551 1.01 0 N-CA-C 114.783 1.401 . . . . 0.0 114.783 -174.903 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -61.11 -45.46 94.6 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.843 0.857 . . . . 0.0 112.582 157.02 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.24 -44.01 97.9 Favored Glycine 0 CA--C 1.534 1.262 0 C-N-CA 123.778 0.704 . . . . 0.0 114.77 171.269 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.03 -41.15 97.53 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 113.304 0.853 . . . . 0.0 113.304 173.948 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -71.56 76.02 0.8 Allowed 'General case' 0 CA--C 1.551 1.013 0 CA-C-O 123.568 1.651 . . . . 0.0 111.137 168.565 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -104.2 81.12 1.79 Allowed 'General case' 0 CA--C 1.544 0.72 0 CA-C-O 123.301 1.524 . . . . 0.0 110.401 173.248 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -125.56 -34.39 2.67 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 114.772 -1.103 . . . . 0.0 113.397 175.116 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.62 -67.56 0.37 Allowed 'General case' 0 CA--C 1.548 0.885 0 N-CA-C 115.537 1.68 . . . . 0.0 115.537 174.031 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -118.97 136.58 54.02 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 120.264 1.393 . . . . 0.0 111.643 177.663 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -60.54 -49.4 77.71 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 114.979 1.474 . . . . 0.0 114.979 176.322 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 25.6 m -81.25 109.52 15.86 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.498 0.719 . . . . 0.0 112.148 -175.52 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 66.8 m -56.04 -47.92 76.96 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.174 1.39 . . . . 0.0 114.711 -178.453 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -66.16 -31.05 71.67 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 113.814 1.042 . . . . 0.0 113.814 -178.397 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -66.66 -55.35 15.59 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 120.367 1.439 . . . . 0.0 110.546 175.777 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.599 ' O ' HD13 ' A' ' 41' ' ' ILE . 11.9 ptt180 -64.85 -39.26 93.27 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-O 118.249 -0.881 . . . . 0.0 111.824 177.352 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -84.58 1.47 45.82 Favored 'General case' 0 CA--C 1.548 0.882 0 N-CA-C 116.579 2.066 . . . . 0.0 116.579 172.986 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -72.95 -33.61 66.01 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 119.58 -1.95 . . . . 0.0 112.407 147.459 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 38.4 mtm105 -71.36 -40.44 70.63 Favored 'General case' 0 CA--C 1.553 1.089 0 N-CA-C 114.308 1.225 . . . . 0.0 114.308 168.165 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.599 HD13 ' O ' ' A' ' 37' ' ' ARG 0.293 3.3 mp -70.41 89.57 0.3 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.926 0 CA-C-O 126.464 3.031 . . . . 0.0 113.153 167.848 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -81.18 -17.33 50.09 Favored 'General case' 0 CA--C 1.542 0.647 1 CA-C-N 107.806 -4.27 . . . . 0.0 117.104 -174.804 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 69.2 mt -53.32 -41.29 43.29 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.94 0 N-CA-C 116.031 1.863 . . . . 0.0 116.031 -154.56 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -177.26 162.85 31.15 Favored Glycine 0 CA--C 1.544 1.882 0 CA-C-O 117.678 -1.623 . . . . 0.0 115.532 174.814 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_exo -52.31 -47.53 26.46 Favored 'Trans proline' 0 C--N 1.36 1.159 0 C-N-CA 125.202 3.934 . . . . 0.0 115.948 176.526 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 22.7 tptp -62.42 -34.3 76.48 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 124.989 1.316 . . . . 0.0 112.286 173.606 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 45.8 t -66.06 -59.01 4.21 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 117.736 -1.126 . . . . 0.0 111.41 174.144 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -53.21 -38.06 29.8 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 N-CA-C 115.248 1.573 . . . . 0.0 115.248 172.208 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.6 ttpp -62.42 -52.42 63.63 Favored 'General case' 0 CA--C 1.552 1.05 0 N-CA-C 114.279 1.214 . . . . 0.0 114.279 173.727 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.78 -48.6 69.63 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.637 1.175 . . . . 0.0 112.097 168.421 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.428 ' CE2' HD11 ' A' ' 41' ' ' ILE . 3.2 t80 -54.31 -53.57 52.0 Favored 'General case' 0 C--N 1.347 0.474 0 C-N-CA 124.763 1.225 . . . . 0.0 111.872 175.768 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.41 ' O ' ' HD1' ' A' ' 56' ' ' TYR . 12.6 mptt -60.5 -42.22 95.92 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 113.819 1.044 . . . . 0.0 113.819 178.333 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -61.57 -49.46 76.55 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 120.492 1.496 . . . . 0.0 113.574 175.308 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 16.4 m -65.36 -32.94 74.84 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 114.91 1.448 . . . . 0.0 114.91 171.828 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.04 -30.98 71.61 Favored 'General case' 0 CA--C 1.546 0.816 0 O-C-N 120.022 -1.674 . . . . 0.0 112.509 168.772 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.41 ' HD1' ' O ' ' A' ' 52' ' ' LYS . 22.6 m-85 -63.19 -43.4 98.29 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-O 115.727 -2.082 . . . . 0.0 113.753 163.759 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.473 2.2 pp -67.47 -29.46 45.62 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 CA-C-N 124.555 3.343 . . . . 0.0 114.796 169.451 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.69 -39.06 90.1 Favored 'General case' 0 CA--C 1.55 0.947 0 CA-C-N 120.229 1.377 . . . . 0.0 113.361 166.857 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 28.9 m-80 -67.73 -38.75 83.98 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 114.477 1.288 . . . . 0.0 114.477 166.782 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -61.0 -36.38 79.33 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 120.543 1.52 . . . . 0.0 113.239 169.147 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 91.1 t -64.36 -42.92 96.8 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.826 0 CA-C-N 120.729 1.604 . . . . 0.0 112.855 167.602 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 40.0 ttp180 -64.45 -44.37 91.32 Favored 'General case' 0 CA--C 1.55 0.945 0 N-CA-C 114.172 1.175 . . . . 0.0 114.172 172.796 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -98.05 -37.17 9.86 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 117.189 2.292 . . . . 0.0 117.189 -177.568 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 . . . . . 0 N--CA 1.473 0.723 0 CA-C-N 122.386 2.357 . . . . 0.0 114.601 -166.053 . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.6 mp . . . . . 0 N--CA 1.484 1.259 0 CA-C-O 119.052 -0.499 . . . . 0.0 109.92 . . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -56.84 -46.17 81.89 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 175.491 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -68.41 -43.97 76.06 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 120.497 1.499 . . . . 0.0 114.237 177.634 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.43 ' O ' ' HE1' ' A' ' 13' ' ' TYR . 65.7 mm-40 -78.67 -27.18 45.13 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 120.17 1.35 . . . . 0.0 113.446 176.374 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -104.9 25.4 10.51 Favored 'General case' 0 CA--C 1.553 1.067 0 N-CA-C 121.766 3.988 . . . . 0.0 121.766 162.669 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.23 17.56 0.0 OUTLIER 'General case' 0 CA--C 1.557 1.235 0 N-CA-C 120.823 3.638 . . . . 0.0 120.823 176.94 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? 51.18 56.23 8.29 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 126.812 2.045 . . . . 0.0 111.531 -173.831 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.43 ' HE1' ' O ' ' A' ' 9' ' ' GLU . 4.9 p90 -120.97 -141.44 0.34 Allowed 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 113.981 -1.463 . . . . 0.0 111.274 -159.64 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.1 tptp -76.34 -36.33 58.28 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 120.686 -1.259 . . . . 0.0 113.356 -176.271 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -106.74 72.36 0.9 Allowed 'General case' 0 CA--C 1.546 0.812 0 CA-C-O 124.425 2.06 . . . . 0.0 112.912 -175.012 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.67 -37.86 88.05 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 111.159 -2.746 . . . . 0.0 114.822 179.666 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.9 mpp? -67.17 -31.76 72.4 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 123.871 0.868 . . . . 0.0 113.114 175.146 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -78.73 -39.79 35.31 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.326 1.05 . . . . 0.0 112.671 176.634 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.2 tttt -51.56 -44.66 62.79 Favored 'General case' 0 CA--C 1.552 1.028 0 N-CA-C 114.943 1.46 . . . . 0.0 114.943 155.412 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.2 tmtm? -62.34 -31.3 71.91 Favored 'General case' 0 CA--C 1.552 1.03 0 O-C-N 119.725 -1.859 . . . . 0.0 111.825 170.759 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 12.8 t -63.01 -38.03 89.55 Favored 'General case' 0 CA--C 1.555 1.142 0 CA-C-N 120.896 1.68 . . . . 0.0 114.268 166.935 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.4 t -48.22 -51.99 22.96 Favored 'General case' 0 N--CA 1.481 1.102 0 CA-C-N 119.237 0.926 . . . . 0.0 110.476 159.933 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.403 ' O ' ' HD2' ' A' ' 27' ' ' TYR 0.296 5.9 m-30 -73.9 -22.97 59.51 Favored 'General case' 0 CA--C 1.55 0.965 0 N-CA-C 114.34 1.237 . . . . 0.0 114.34 -175.646 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -61.27 -35.17 76.57 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 113.509 0.929 . . . . 0.0 113.509 158.87 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.97 -41.98 53.48 Favored Glycine 0 CA--C 1.534 1.267 0 N-CA-C 115.372 0.909 . . . . 0.0 115.372 167.735 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.58 -40.95 96.47 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 114.22 1.193 . . . . 0.0 114.22 177.569 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.403 ' HD2' ' O ' ' A' ' 23' ' ' TYR . 66.2 m-85 -73.17 63.58 0.71 Allowed 'General case' 0 CA--C 1.55 0.953 0 CA-C-O 123.51 1.624 . . . . 0.0 113.366 172.757 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 64.4 ttt180 -100.41 127.8 46.65 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 114.296 -1.32 . . . . 0.0 111.177 177.313 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 17.2 m-80 -114.76 -112.21 0.34 Allowed 'General case' 0 CA--C 1.552 1.028 0 O-C-N 120.926 -1.109 . . . . 0.0 110.302 -178.924 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -76.19 31.12 0.12 Allowed 'General case' 0 CA--C 1.555 1.15 0 O-C-N 119.145 -2.222 . . . . 0.0 114.575 172.099 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -93.12 101.22 13.52 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 120.126 -1.608 . . . . 0.0 110.935 -171.997 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -64.34 -45.13 89.18 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 115.653 1.723 . . . . 0.0 115.653 -177.454 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 38.8 m -125.28 108.73 12.01 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 119.912 1.233 . . . . 0.0 111.773 -175.191 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 60.5 m -61.29 -44.27 97.5 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 114.635 1.346 . . . . 0.0 114.635 -176.868 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . 0.261 0.9 OUTLIER -73.89 -6.74 49.03 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 115.005 1.483 . . . . 0.0 115.005 178.941 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -78.69 -51.01 10.44 Favored 'General case' 0 CA--C 1.548 0.88 0 CA-C-N 121.277 1.853 . . . . 0.0 110.059 166.146 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.495 ' O ' HD13 ' A' ' 41' ' ' ILE . 45.4 ttt180 -55.94 -46.42 78.51 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 114.765 -1.107 . . . . 0.0 111.475 169.326 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . 0.258 . . -92.12 16.68 10.82 Favored 'General case' 0 CA--C 1.55 0.968 0 N-CA-C 116.964 2.209 . . . . 0.0 116.964 171.285 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -74.4 -38.97 62.96 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 118.939 -2.351 . . . . 0.0 112.152 140.31 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 78.3 mtt85 -68.23 -44.4 75.8 Favored 'General case' 0 CA--C 1.55 0.963 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 171.111 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.495 HD13 ' O ' ' A' ' 37' ' ' ARG . 3.4 mp -73.08 83.62 0.43 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.902 0 CA-C-O 127.055 3.312 . . . . 0.0 112.012 162.12 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 62.1 pttt -98.52 10.8 40.11 Favored 'General case' 0 CA--C 1.546 0.812 1 CA-C-N 107.45 -4.432 . . . . 0.0 115.635 -173.207 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 64.6 mt -66.46 -39.99 85.39 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.876 0 N-CA-C 114.087 1.143 . . . . 0.0 114.087 -165.656 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -173.96 166.81 39.09 Favored Glycine 0 CA--C 1.547 2.057 0 CA-C-N 120.69 1.586 . . . . 0.0 116.965 175.85 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_exo -53.69 -49.62 16.61 Favored 'Trans proline' 0 C--N 1.361 1.22 0 C-N-CA 125.248 3.965 . . . . 0.0 115.882 174.48 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.0 mtpp -59.62 -32.82 70.77 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 171.596 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 15.0 t -67.21 -61.04 2.11 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 116.899 -1.524 . . . . 0.0 109.905 176.375 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -49.74 -40.19 15.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 CA-C-N 121.066 1.757 . . . . 0.0 115.094 171.306 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -63.91 -55.25 24.01 Favored 'General case' 0 CA--C 1.548 0.885 0 CA-C-O 117.217 -1.373 . . . . 0.0 113.523 172.634 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.49 -47.08 63.34 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 120.979 1.718 . . . . 0.0 110.714 172.562 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.433 ' CE2' HD11 ' A' ' 41' ' ' ILE . 3.3 t80 -56.01 -54.71 41.58 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.112 1.365 . . . . 0.0 112.932 175.198 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 55.4 tptt -63.66 -36.83 85.13 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 118.979 0.808 . . . . 0.0 113.014 -179.666 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -65.28 -48.16 74.16 Favored 'General case' 0 CA--C 1.549 0.904 0 O-C-N 120.992 -1.067 . . . . 0.0 112.706 174.788 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 8.8 m -64.09 -31.24 72.36 Favored 'General case' 0 CA--C 1.55 0.957 0 N-CA-C 114.818 1.414 . . . . 0.0 114.818 169.938 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 53.2 t -58.16 -42.61 86.36 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 121.033 1.742 . . . . 0.0 112.395 163.786 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -58.41 -45.97 87.36 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-O 116.8 -1.571 . . . . 0.0 113.802 169.587 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.479 2.1 pp -69.81 -28.16 35.92 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 CA-C-N 123.015 2.643 . . . . 0.0 115.259 171.544 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.71 -39.85 86.0 Favored 'General case' 0 CA--C 1.551 0.999 0 CA-C-N 120.864 1.665 . . . . 0.0 113.274 167.218 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 -64.86 -41.72 95.45 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 113.647 0.98 . . . . 0.0 113.647 167.779 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 26.8 tp60 -62.48 -38.95 91.82 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 123.471 0.708 . . . . 0.0 112.905 174.528 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 78.6 t -61.79 -42.68 95.42 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.811 0 CA-C-N 118.858 0.753 . . . . 0.0 112.707 168.582 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 58.5 mtt85 -61.0 -36.29 79.1 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 114.619 1.34 . . . . 0.0 114.619 170.261 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.1 -58.44 3.56 Favored 'General case' 0 CA--C 1.546 0.821 0 CA-C-N 119.278 0.945 . . . . 0.0 113.29 169.544 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 . . . . . 0 CA--C 1.547 0.839 0 CA-C-O 123.238 1.494 . . . . 0.0 113.931 -177.164 . . . . . . . . 0 0 . 1 . 041 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.7 mp . . . . . 0 N--CA 1.481 1.102 0 CA-C-O 118.978 -0.534 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 041 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -57.43 -52.51 65.06 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-O 117.619 -1.181 . . . . 0.0 112.423 173.639 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.96 -16.04 63.14 Favored 'General case' 0 CA--C 1.55 0.96 0 CA-C-N 122.927 2.603 . . . . 0.0 115.262 177.152 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -89.97 -38.03 13.93 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 115.859 1.8 . . . . 0.0 115.859 166.503 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -105.82 26.12 10.01 Favored 'General case' 0 CA--C 1.553 1.06 1 N-CA-C 121.93 4.048 . . . . 0.0 121.93 169.296 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.56 27.07 0.0 OUTLIER 'General case' 0 CA--C 1.556 1.176 0 N-CA-C 120.542 3.534 . . . . 0.0 120.542 -177.21 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 98.9 mttt 51.33 47.45 24.82 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 126.65 1.98 . . . . 0.0 112.976 -174.803 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 5.0 p90 -117.54 -146.52 0.4 Allowed 'General case' 0 CA--C 1.549 0.92 0 CA-C-N 115.033 -0.985 . . . . 0.0 111.962 -156.401 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -72.02 -44.23 63.73 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.248 1.419 . . . . 0.0 112.125 -174.551 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -97.98 70.64 2.13 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-O 124.093 1.901 . . . . 0.0 112.691 -177.981 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.77 -35.06 75.48 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 111.377 -2.647 . . . . 0.0 114.014 176.165 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 47.4 mtm -66.6 -32.46 73.8 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.358 1.063 . . . . 0.0 113.139 173.865 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 47.1 mt -87.85 -35.99 17.46 Favored 'General case' 0 CA--C 1.542 0.643 0 O-C-N 121.67 -0.644 . . . . 0.0 111.295 -177.909 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 46.9 tttp -48.7 -43.26 36.96 Favored 'General case' 0 CA--C 1.553 1.088 0 N-CA-C 115.087 1.514 . . . . 0.0 115.087 150.303 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.58 -25.77 66.79 Favored 'General case' 0 CA--C 1.557 1.246 0 O-C-N 118.816 -2.428 . . . . 0.0 112.967 170.399 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 92.8 m -62.18 -40.33 95.66 Favored 'General case' 0 N--CA 1.478 0.929 0 O-C-N 119.555 -1.966 . . . . 0.0 114.226 161.04 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -49.45 -52.85 26.28 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 118.913 0.779 . . . . 0.0 110.807 162.521 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.25 3.9 m-30 -73.06 -26.12 61.17 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 113.956 1.095 . . . . 0.0 113.956 -174.733 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.99 -36.74 75.4 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.503 1.121 . . . . 0.0 113.461 161.275 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -74.56 -39.36 41.69 Favored Glycine 0 CA--C 1.533 1.214 0 N-CA-C 115.7 1.04 . . . . 0.0 115.7 168.244 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.96 -41.95 97.43 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 114.493 1.294 . . . . 0.0 114.493 177.953 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 77.7 m-85 -73.72 70.37 1.38 Allowed 'General case' 0 CA--C 1.55 0.947 0 CA-C-O 123.032 1.396 . . . . 0.0 112.879 173.882 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.7 ttp180 -123.14 147.55 46.69 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-N 115.176 -0.92 . . . . 0.0 112.815 -179.644 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 21.7 m-80 -113.68 -134.17 0.35 Allowed 'General case' 0 CA--C 1.553 1.078 0 O-C-N 120.785 -1.197 . . . . 0.0 110.996 -178.629 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -70.66 5.12 2.02 Favored 'General case' 0 CA--C 1.548 0.897 0 O-C-N 119.39 -2.069 . . . . 0.0 115.794 166.431 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.4 p-10 -80.79 66.73 6.42 Favored 'General case' 0 CA--C 1.551 0.984 0 O-C-N 119.471 -2.018 . . . . 0.0 111.943 174.228 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -56.89 -16.87 7.6 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 116.311 1.967 . . . . 0.0 116.311 -177.474 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 17.8 p -82.11 70.59 9.06 Favored 'General case' 0 CA--C 1.543 0.684 0 O-C-N 119.802 -1.811 . . . . 0.0 112.48 -178.22 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 57.1 m -57.63 -44.1 85.32 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 113.09 -1.868 . . . . 0.0 114.342 -176.96 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 46.2 mp0 -70.07 -23.89 63.15 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 113.545 0.943 . . . . 0.0 113.545 177.61 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -71.57 -53.1 14.87 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 119.373 0.988 . . . . 0.0 110.859 170.866 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.539 ' O ' HD13 ' A' ' 41' ' ' ILE . 55.4 ttt180 -54.87 -48.73 72.58 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 114.516 -1.22 . . . . 0.0 111.309 171.761 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -89.48 11.22 20.01 Favored 'General case' 0 CA--C 1.552 1.045 0 N-CA-C 117.082 2.253 . . . . 0.0 117.082 174.432 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.8 -38.94 64.44 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 119.149 -2.219 . . . . 0.0 111.802 145.783 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 34.0 mtp180 -66.81 -43.6 83.4 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 113.061 0.763 . . . . 0.0 113.061 169.6 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.539 HD13 ' O ' ' A' ' 37' ' ' ARG . 3.5 mp -75.47 82.5 0.61 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.844 0 CA-C-O 127.093 3.33 . . . . 0.0 112.52 164.104 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.42 22.81 11.1 Favored 'General case' 0 CA--C 1.548 0.891 1 CA-C-N 107.673 -4.33 . . . . 0.0 114.883 -174.39 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 46.6 mm -71.41 -44.24 72.01 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 O-C-N 121.15 -0.969 . . . . 0.0 113.467 -169.344 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -173.05 164.03 35.89 Favored Glycine 0 CA--C 1.545 1.95 0 CA-C-O 118.051 -1.416 . . . . 0.0 116.038 176.916 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_exo -52.95 -50.68 13.22 Favored 'Trans proline' 0 C--N 1.361 1.223 0 C-N-CA 125.238 3.958 . . . . 0.0 116.395 178.35 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 38.5 tttm -68.87 -25.04 64.42 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 123.267 0.627 . . . . 0.0 111.83 175.938 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 43.9 t -65.54 -60.0 3.39 Favored 'General case' 0 C--N 1.349 0.58 0 CA-C-O 117.707 -1.14 . . . . 0.0 111.11 171.097 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -50.52 -41.05 19.6 Favored 'Isoleucine or valine' 0 C--N 1.352 0.694 0 N-CA-C 114.678 1.362 . . . . 0.0 114.678 170.291 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.09 -47.87 75.7 Favored 'General case' 0 CA--C 1.554 1.115 0 N-CA-C 115.278 1.585 . . . . 0.0 115.278 174.318 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.33 -46.43 79.92 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 120.519 1.509 . . . . 0.0 111.067 168.206 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.445 ' CE2' HD11 ' A' ' 41' ' ' ILE . 3.4 t80 -54.63 -52.38 62.45 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.923 1.289 . . . . 0.0 112.489 174.838 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -61.66 -41.59 97.74 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 113.288 0.847 . . . . 0.0 113.288 178.864 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -61.19 -47.73 84.78 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 114.183 1.179 . . . . 0.0 114.183 172.082 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 18.1 m -66.42 -29.58 69.76 Favored 'General case' 0 CA--C 1.552 1.026 0 N-CA-C 115.862 1.801 . . . . 0.0 115.862 170.991 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 35.8 t -57.69 -43.03 84.84 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 121.539 1.972 . . . . 0.0 112.017 162.903 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -58.35 -45.64 87.8 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 115.585 -2.15 . . . . 0.0 113.254 168.96 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.504 1.9 pp -70.85 -26.75 28.44 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 CA-C-N 124.403 3.274 . . . . 0.0 115.706 171.302 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.86 -50.6 70.16 Favored 'General case' 0 CA--C 1.548 0.873 0 CA-C-N 122.199 2.272 . . . . 0.0 112.159 167.141 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 71.3 m-80 -66.66 -38.57 87.12 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 173.628 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -67.85 -44.28 77.52 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-O 116.158 -1.877 . . . . 0.0 114.284 171.167 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.8 p -66.36 -25.91 36.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 CA-C-N 123.836 3.016 . . . . 0.0 112.752 176.806 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 44.7 ttt180 -62.13 -32.25 72.81 Favored 'General case' 0 CA--C 1.552 1.053 0 O-C-N 121.319 -0.863 . . . . 0.0 113.244 165.835 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -95.29 -45.92 6.95 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 114.273 1.212 . . . . 0.0 114.273 175.821 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 . . . . . 0 CA--C 1.553 1.093 0 O-C-N 120.354 -1.466 . . . . 0.0 113.468 -177.591 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 33.9 ttm . . . . . 0 CA--C 1.548 0.889 0 N-CA-C 113.452 0.908 . . . . 1.17 113.452 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 10.0 mp -58.13 -51.09 71.16 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.302 1.441 . . . . 0.69 114.035 -179.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.26 -37.07 86.18 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.165 0.986 . . . . 1.55 113.361 174.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -62.68 -43.99 97.4 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.229 1.012 . . . . 1.45 112.181 173.234 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -63.1 -39.92 96.13 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 114.281 1.215 . . . . 1.18 114.281 171.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 76.7 mt -56.93 -52.42 55.77 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 CA-C-N 119.887 1.221 . . . . 0.43 110.088 167.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.32 -49.65 73.71 Favored 'General case' 0 C--O 1.219 -0.504 0 CA-C-O 116.412 -1.756 . . . . 1.25 111.966 176.292 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -62.65 -29.19 70.44 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 123.844 3.02 . . . . 1.33 115.066 177.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 -82.58 -57.79 3.19 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 121.299 1.863 . . . . 0.91 112.804 168.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.4 3.53 3.69 Favored 'General case' 0 CA--C 1.556 1.205 0 N-CA-C 117.926 2.565 . . . . 0.0 117.926 173.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.72 -50.63 14.77 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 117.859 -3.026 . . . . 0.0 113.035 157.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.7 pttm -82.61 63.82 6.94 Favored 'General case' 0 CA--C 1.549 0.933 0 CA-C-O 123.642 1.687 . . . . 1.08 112.313 -174.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -52.97 -12.84 0.36 Allowed 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 116.956 2.206 . . . . 1.49 116.956 179.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -61.73 -32.74 72.98 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.105 0.962 . . . . 1.55 112.635 162.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 -88.72 67.14 8.29 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-O 125.147 2.403 . . . . 0.92 110.895 174.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.76 -45.47 85.87 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 108.925 -3.762 . . . . 0.0 114.978 -169.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 63.7 mtp -65.69 -39.24 91.05 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.543 0.737 . . . . 1.02 112.889 177.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -73.89 -45.48 50.56 Favored 'General case' 0 C--O 1.239 0.501 0 C-N-CA 124.372 1.069 . . . . 0.39 113.532 -178.16 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.25 -30.39 71.27 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-O 118.179 -0.915 . . . . 1.06 112.93 166.025 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.4 tmtm? -69.61 -30.09 67.76 Favored 'General case' 0 CA--C 1.548 0.891 0 CA-C-N 122.438 2.381 . . . . 0.9 111.337 168.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 96.5 m -56.4 -42.24 77.64 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 122.963 2.62 . . . . 0.42 113.452 163.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -48.87 -53.75 18.19 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 122.939 0.496 . . . . 0.06 111.501 163.401 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.294 5.3 m-30 -71.71 -28.27 63.58 Favored 'General case' 0 CA--C 1.549 0.924 0 N-CA-C 113.776 1.028 . . . . 0.12 113.776 -175.466 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -57.6 -38.27 74.62 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.618 1.167 . . . . 0.72 113.41 162.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -68.16 -39.44 88.39 Favored Glycine 0 CA--C 1.536 1.393 0 N-CA-C 114.649 0.62 . . . . 0.0 114.649 165.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.17 -27.41 65.5 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 115.927 1.825 . . . . 0.0 115.927 179.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -68.41 60.66 0.09 Allowed 'General case' 0 CA--C 1.562 1.405 0 CA-C-N 123.421 2.828 . . . . 1.75 112.088 171.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.1 tpt180 -77.36 76.73 3.9 Favored 'General case' 0 CA--C 1.546 0.819 0 O-C-N 119.092 -2.255 . . . . 1.73 112.587 -178.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 31.7 m120 -114.35 -7.33 12.92 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 112.857 -1.974 . . . . 1.27 112.929 169.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -73.73 -36.29 65.16 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 113.896 1.073 . . . . 1.12 113.896 175.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 62.32 -25.1 0.05 Allowed 'General case' 0 CA--C 1.549 0.937 0 N-CA-C 117.211 2.301 . . . . 1.21 117.211 179.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.62 -148.58 0.01 OUTLIER 'General case' 0 CA--C 1.562 1.441 0 N-CA-C 115.722 1.749 . . . . 1.46 115.722 166.779 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 69.3 m -97.0 96.72 8.69 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 117.945 -2.972 . . . . 0.72 111.459 -166.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 23.9 p -60.58 -31.73 70.85 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 114.829 1.418 . . . . 0.51 114.829 -177.074 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -70.97 -21.06 62.37 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 114.844 1.424 . . . . 1.35 114.844 174.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -74.51 -42.53 58.76 Favored 'General case' 0 CA--C 1.548 0.88 0 CA-C-N 120.381 1.446 . . . . 1.46 110.208 169.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.547 ' O ' HD13 ' A' ' 41' ' ' ILE . 38.9 mmt180 -62.9 -41.69 99.52 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 114.965 -1.016 . . . . 1.68 111.79 169.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . 0.264 . . -83.31 3.37 31.78 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 116.954 2.205 . . . . 0.0 116.954 169.155 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.07 -37.63 75.53 Favored 'General case' 0 CA--C 1.546 0.796 0 O-C-N 119.163 -2.211 . . . . 0.0 112.137 146.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 81.7 mtt85 -69.88 -42.87 72.88 Favored 'General case' 0 CA--C 1.553 1.065 0 N-CA-C 113.948 1.092 . . . . 1.58 113.948 168.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.547 HD13 ' O ' ' A' ' 37' ' ' ARG . 3.1 mp -71.38 83.11 0.29 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.98 0 CA-C-O 127.26 3.409 . . . . 0.15 112.601 164.607 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.1 pttm -101.37 16.7 24.76 Favored 'General case' 0 CA--C 1.547 0.846 1 CA-C-N 107.416 -4.447 . . . . 1.44 115.066 -174.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 49.0 mm -64.59 -35.74 75.49 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.837 0 C-N-CA 124.379 1.072 . . . . 0.42 113.612 -169.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -171.84 160.3 32.0 Favored Glycine 0 CA--C 1.545 1.948 0 CA-C-O 118.102 -1.388 . . . . 0.0 115.262 173.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -52.18 -48.93 19.22 Favored 'Trans proline' 0 C--N 1.362 1.254 0 C-N-CA 124.956 3.771 . . . . 0.0 115.189 173.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 40.3 mttm -60.76 -34.25 74.17 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 113.9 1.074 . . . . 0.93 113.9 172.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 42.3 t -64.39 -56.51 13.87 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-O 117.657 -1.163 . . . . 0.22 111.356 175.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -51.39 -45.41 33.56 Favored 'Isoleucine or valine' 0 C--N 1.349 0.584 0 N-CA-C 114.757 1.392 . . . . 0.08 114.757 169.446 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -58.58 -52.38 65.92 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 114.991 1.478 . . . . 1.4 114.991 174.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.61 -52.11 56.86 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.45 1.1 . . . . 0.0 110.739 171.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.435 ' CE2' HD11 ' A' ' 41' ' ' ILE . 2.2 t80 -54.76 -54.05 47.08 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.113 1.365 . . . . 0.2 112.521 177.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 65.2 tttp -61.42 -47.08 87.4 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.469 1.108 . . . . 1.29 113.379 -178.017 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -69.13 -43.35 74.55 Favored 'General case' 0 C--O 1.244 0.806 0 CA-C-N 120.13 1.332 . . . . 0.63 113.528 179.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.3 m -58.37 -45.65 87.85 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-O 116.818 -1.563 . . . . 0.07 113.012 169.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 51.8 t -57.87 -45.76 85.85 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-N 121.246 1.839 . . . . 0.29 112.701 172.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 20.5 m-30 -59.5 -46.77 87.85 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 121.088 1.767 . . . . 1.85 113.991 176.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 19.2 mm -64.88 -41.88 93.35 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 CA-C-N 120.395 1.452 . . . . 0.63 113.309 173.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.85 -43.79 97.85 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 113.755 1.02 . . . . 0.0 113.755 174.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -61.72 -46.33 90.1 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.406 1.082 . . . . 0.87 112.767 172.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -68.62 -32.99 73.26 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 114.505 1.298 . . . . 1.17 114.505 177.258 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . 0.269 31.4 m -72.64 -32.94 43.05 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.722 0 CA-C-N 122.084 2.22 . . . . 0.41 113.479 164.775 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 7.9 tpp180 -64.2 -36.59 84.55 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 121.514 1.961 . . . . 1.96 113.73 170.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.5 -26.4 65.26 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 114.22 1.193 . . . . 0.0 114.22 168.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -88.65 -51.15 5.83 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 123.887 0.875 . . . . 1.19 112.069 170.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -128.88 128.2 43.36 Favored 'General case' 0 CA--C 1.551 0.988 0 N-CA-C 115.79 1.774 . . . . 1.27 115.79 -178.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . . . . . . . . 1 C--N 1.228 -4.681 0 O-C-N 120.901 -1.124 . . . . 1.27 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.5 mtp . . . . . 0 CA--C 1.554 1.12 0 N-CA-C 115.758 1.762 . . . . 0.0 115.758 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 73.4 mt 52.21 -99.88 0.09 Allowed 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 127.003 2.121 . . . . 0.0 113.928 -176.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 17.1 tm0? -63.37 -51.45 65.84 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.131 1.373 . . . . 0.0 111.863 -172.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 18.5 mmtm -63.29 -40.78 98.34 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 114.65 1.352 . . . . 0.0 114.65 -174.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . 0.253 48.1 mmtt -76.11 -33.15 59.46 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 116.021 -1.942 . . . . 0.0 115.357 171.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 39.1 mt -62.88 -41.8 94.01 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 CA-C-N 123.445 2.839 . . . . 0.0 109.296 166.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -59.29 -63.41 1.31 Allowed 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 116.707 -1.616 . . . . 0.0 112.168 172.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -68.08 -20.26 64.94 Favored 'General case' 0 CA--C 1.55 0.961 0 CA-C-N 124.064 3.12 . . . . 0.0 114.602 -175.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -87.21 -61.88 1.63 Allowed 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 122.071 2.214 . . . . 0.0 112.138 167.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.67 0.08 13.92 Favored 'General case' 0 CA--C 1.555 1.172 0 N-CA-C 118.032 2.604 . . . . 0.0 118.032 176.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.57 -49.2 19.31 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 124.46 3.3 . . . . 0.0 112.006 155.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -80.53 70.16 7.18 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-O 122.594 1.188 . . . . 0.0 111.33 -177.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.6 m-30 -55.49 -8.68 0.38 Allowed 'General case' 0 CA--C 1.552 1.038 0 N-CA-C 116.198 1.925 . . . . 0.0 116.198 173.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -61.36 -34.36 75.18 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 124.705 1.202 . . . . 0.0 112.586 160.034 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 11.1 m-30 -80.73 60.71 4.12 Favored 'General case' 0 CA--C 1.549 0.923 0 O-C-N 120.144 -1.598 . . . . 0.0 110.504 174.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.14 -50.09 67.75 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 115.443 1.646 . . . . 0.0 115.443 -166.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 47.8 mtm -66.44 -32.26 73.53 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 175.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 52.3 mt -83.87 -39.67 19.59 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.591 0.756 . . . . 0.0 112.171 -173.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.73 -29.42 67.83 Favored 'General case' 0 CA--C 1.546 0.803 0 O-C-N 121.021 -1.049 . . . . 0.0 112.2 164.367 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.7 tmtt? -63.07 -37.8 88.63 Favored 'General case' 0 CA--C 1.548 0.866 0 CA-C-N 121.818 2.099 . . . . 0.0 110.753 164.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 86.5 m -55.34 -40.96 71.86 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 122.694 2.497 . . . . 0.0 114.03 166.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -51.12 -55.99 14.96 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 118.74 0.7 . . . . 0.0 112.09 163.788 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 7.2 m-30 -73.53 -24.39 60.12 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 114.208 1.188 . . . . 0.0 114.208 -172.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.69 -54.33 47.4 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.489 1.516 . . . . 0.0 110.917 160.376 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.87 -37.83 95.54 Favored Glycine 0 CA--C 1.535 1.283 0 N-CA-C 115.32 0.888 . . . . 0.0 115.32 174.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.29 -38.26 86.16 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 118.449 1.125 . . . . 0.0 113.023 172.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 35.1 t80 -71.69 74.11 0.81 Allowed 'General case' 0 CA--C 1.555 1.157 0 CA-C-O 123.158 1.456 . . . . 0.0 112.158 168.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.5 mmm180 -76.14 83.08 2.97 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-O 123.054 1.407 . . . . 0.0 113.512 169.051 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -86.02 -36.3 19.82 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 114.297 -1.32 . . . . 0.0 113.498 171.004 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -63.61 -16.55 61.2 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 118.197 2.666 . . . . 0.0 118.197 -171.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 63.06 -50.43 0.2 Allowed 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 116.485 2.032 . . . . 0.0 116.485 177.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -73.0 -118.52 0.0 OUTLIER 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 125.13 1.372 . . . . 0.0 113.848 178.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 21.7 p -107.07 124.66 49.98 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 117.949 -2.969 . . . . 0.0 113.38 -179.284 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 22.1 p -68.27 -21.36 64.8 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 174.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 54.8 mp0 -63.31 -36.47 83.79 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.819 1.248 . . . . 0.0 113.9 177.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -69.65 -46.29 66.48 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 119.964 1.256 . . . . 0.0 112.649 174.09 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.495 ' O ' HD13 ' A' ' 41' ' ' ILE . 64.6 ttt180 -54.38 -51.03 66.1 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 114.858 -1.064 . . . . 0.0 111.755 168.659 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -80.67 -2.84 48.33 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 116.786 2.143 . . . . 0.0 116.786 174.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.17 -26.93 63.19 Favored 'General case' 0 CA--C 1.545 0.769 0 O-C-N 119.357 -2.089 . . . . 0.0 113.113 151.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.44 -43.87 59.4 Favored 'General case' 0 CA--C 1.552 1.035 0 CA-C-N 120.189 1.358 . . . . 0.0 114.337 159.783 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.495 HD13 ' O ' ' A' ' 37' ' ' ARG 0.291 3.3 mp -70.47 83.17 0.23 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.965 0 CA-C-O 126.94 3.257 . . . . 0.0 114.237 171.817 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 66.4 mmtt -102.74 27.98 6.51 Favored 'General case' 0 CA--C 1.547 0.855 1 CA-C-N 108.069 -4.15 . . . . 0.0 115.137 -178.717 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 47.7 mm -68.29 -35.31 70.52 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.912 0 O-C-N 120.68 -1.262 . . . . 0.0 112.765 -177.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -176.34 164.47 34.32 Favored Glycine 0 CA--C 1.547 2.053 0 CA-C-O 118.371 -1.238 . . . . 0.0 115.596 173.109 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.509 ' O ' ' HG2' ' A' ' 49' ' ' LYS . 70.0 Cg_exo -54.33 -47.91 24.34 Favored 'Trans proline' 0 C--N 1.359 1.128 0 C-N-CA 124.857 3.704 . . . . 0.0 115.708 174.071 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 15.5 mttm -62.24 -33.21 74.17 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.176 1.39 . . . . 0.0 113.826 172.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 27.3 t -63.37 -58.06 8.32 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.923 0.889 . . . . 0.0 111.263 172.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.406 ' O ' ' HB2' ' A' ' 52' ' ' LYS 0.288 0.0 OUTLIER -53.61 -34.35 23.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 N-CA-C 115.688 1.736 . . . . 0.0 115.688 172.557 . . . . . . . . 4 4 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.509 ' HG2' ' O ' ' A' ' 45' ' ' PRO . 33.3 mmtm -64.77 -54.05 37.39 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-N 120.039 1.291 . . . . 0.0 113.985 169.026 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -50.79 -50.41 56.23 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.831 1.252 . . . . 0.0 110.866 173.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.431 ' CE2' HD11 ' A' ' 41' ' ' ILE . 2.8 t80 -54.92 -54.72 38.97 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.045 1.338 . . . . 0.0 112.132 176.433 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.406 ' HB2' ' O ' ' A' ' 48' ' ' VAL . 0.0 OUTLIER -63.08 -44.1 96.67 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 -176.222 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -70.09 -45.46 66.92 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 113.178 0.807 . . . . 0.0 113.178 -178.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 2.0 m -59.14 -41.27 87.88 Favored 'General case' 0 CA--C 1.55 0.951 0 CA-C-O 117.234 -1.365 . . . . 0.0 113.855 166.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 20.3 t -55.81 -47.83 76.47 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 121.681 2.037 . . . . 0.0 113.941 171.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -66.91 -36.82 83.14 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 177.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 17.1 mm -67.4 -37.73 79.49 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 CA-C-N 120.561 1.528 . . . . 0.0 113.84 167.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.13 -43.62 82.55 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 169.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 64.3 m-80 -67.48 -33.94 76.14 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 114.77 1.396 . . . . 0.0 114.77 170.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -61.09 -43.24 99.18 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 119.974 1.261 . . . . 0.0 112.075 167.14 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 97.9 t -60.75 -43.55 95.46 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.824 0 C-N-CA 123.883 0.873 . . . . 0.0 112.793 171.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 45.6 mtt-85 -58.43 -35.91 72.82 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 169.023 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.4 -52.84 12.35 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 114.285 1.217 . . . . 0.0 114.285 172.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -77.21 64.33 2.61 Favored 'General case' 0 CA--C 1.555 1.137 0 CA-C-O 124.077 1.894 . . . . 0.0 114.411 -177.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 97.0 mm-40 -100.95 -53.05 3.14 Favored 'General case' 0 CA--C 1.545 0.764 0 O-C-N 120.861 -1.149 . . . . 0.0 113.229 174.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . . . . . . . . 1 C--N 1.233 -4.474 0 CA-C-N 119.83 1.195 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.3 ptp . . . . . 0 CA--C 1.546 0.791 0 N-CA-C 114.455 1.28 . . . . 0.0 114.455 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 78.1 mt -87.71 105.83 17.64 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-O 122.974 1.369 . . . . 0.0 111.993 179.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 15.3 tm0? -54.59 -41.0 69.39 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 113.208 -1.815 . . . . 0.0 111.834 171.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -60.67 -32.61 71.8 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 114.582 1.327 . . . . 0.0 114.582 173.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 58.5 mmtt -78.55 -32.18 47.75 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 121.166 1.803 . . . . 0.0 114.422 172.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 73.5 mt -56.68 -52.97 47.36 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 CA-C-N 119.13 0.877 . . . . 0.0 109.31 162.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -59.06 -37.76 77.8 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-O 117.378 -1.296 . . . . 0.0 113.524 177.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -67.52 -37.32 82.6 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 122.442 2.383 . . . . 0.0 114.37 172.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -86.43 -48.35 8.51 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 121.076 1.762 . . . . 0.0 113.794 174.261 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.11 4.37 2.78 Favored 'General case' 0 CA--C 1.554 1.104 0 N-CA-C 115.861 1.801 . . . . 0.0 115.861 167.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.84 -44.07 74.16 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 118.537 -2.602 . . . . 0.0 112.544 150.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 38.4 mttp -83.05 66.98 8.93 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-O 122.739 1.257 . . . . 0.0 110.936 -171.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -63.61 -13.54 43.14 Favored 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 114.482 1.289 . . . . 0.0 114.482 171.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.3 tmtt? -64.81 -40.46 95.26 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 124.726 1.21 . . . . 0.0 111.295 161.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -92.75 69.49 4.72 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-O 125.875 2.75 . . . . 0.0 110.617 174.063 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.5 -39.55 70.62 Favored 'General case' 0 CA--C 1.536 0.429 1 CA-C-N 107.8 -4.273 . . . . 0.0 114.174 -173.619 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 32.8 ttm -65.41 -36.51 84.18 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.377 1.071 . . . . 0.0 112.924 175.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 75.9 mt -82.76 -42.02 18.48 Favored 'General case' 0 C--O 1.24 0.604 0 O-C-N 121.183 -0.948 . . . . 0.0 112.524 -175.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.66 -29.32 69.87 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 119.052 -1.059 . . . . 0.0 112.851 164.001 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.9 tptp -63.87 -38.3 90.6 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 121.945 2.157 . . . . 0.0 111.292 166.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 99.4 m -52.84 -42.74 65.45 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 122.157 2.253 . . . . 0.0 113.491 166.361 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -51.05 -53.73 31.12 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 118.349 0.522 . . . . 0.0 112.181 163.672 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.289 6.5 m-30 -73.46 -25.9 60.69 Favored 'General case' 0 CA--C 1.554 1.114 0 N-CA-C 114.466 1.284 . . . . 0.0 114.466 -173.073 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -59.25 -41.95 89.96 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.005 1.322 . . . . 0.0 112.599 161.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.22 -40.55 92.33 Favored Glycine 0 CA--C 1.537 1.431 0 CA-C-O 118.952 -0.915 . . . . 0.0 114.622 167.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.92 -42.33 98.96 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 119.329 1.565 . . . . 0.0 114.104 178.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . 0.319 1.4 p90 -95.08 60.96 2.41 Favored 'General case' 0 CA--C 1.55 0.973 0 CA-C-N 121.58 1.991 . . . . 0.0 114.19 167.452 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.28 102.54 5.01 Favored 'General case' 0 CA--C 1.547 0.853 0 O-C-N 121.458 -0.776 . . . . 0.0 110.439 178.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -146.98 19.41 1.26 Allowed 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 114.972 1.471 . . . . 0.0 114.972 -177.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 16.9 p-10 -75.67 59.41 1.17 Allowed 'General case' 0 CA--C 1.555 1.135 0 N-CA-C 115.323 1.601 . . . . 0.0 115.323 -171.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 66.31 -53.91 0.41 Allowed 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 127.102 2.161 . . . . 0.0 115.68 172.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 60.2 mt-10 -73.04 174.09 8.39 Favored 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 124.242 1.017 . . . . 0.0 113.691 174.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.1 t -93.96 161.37 14.32 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 119.604 -1.935 . . . . 0.0 114.54 -168.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 94.0 m -59.77 -39.61 85.44 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 113.622 -1.626 . . . . 0.0 114.128 -171.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -65.5 -26.28 67.85 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 113.534 0.938 . . . . 0.0 113.534 -174.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -65.98 -55.6 15.94 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-O 123.437 1.589 . . . . 0.0 111.355 175.142 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.59 ' O ' HD13 ' A' ' 41' ' ' ILE . 9.2 mpt_? -63.89 -47.1 81.98 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 112.653 -2.067 . . . . 0.0 110.039 177.74 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -81.63 -0.13 41.08 Favored 'General case' 0 CA--C 1.551 1.012 0 N-CA-C 116.585 2.068 . . . . 0.0 116.585 175.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.58 -32.09 67.67 Favored 'General case' 0 CA--C 1.54 0.596 0 O-C-N 119.263 -2.148 . . . . 0.0 112.53 150.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 41.2 mmt180 -71.29 -44.14 65.79 Favored 'General case' 0 CA--C 1.552 1.037 0 N-CA-C 113.673 0.99 . . . . 0.0 113.673 165.003 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.59 HD13 ' O ' ' A' ' 37' ' ' ARG 0.293 3.2 mp -73.59 83.07 0.46 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.92 0 CA-C-O 126.587 3.089 . . . . 0.0 113.801 172.68 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 47.4 mttp -100.85 21.06 14.21 Favored 'General case' 0 CA--C 1.548 0.897 1 CA-C-N 108.191 -4.095 . . . . 0.0 115.655 -179.129 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 78.4 mt -65.04 -37.09 79.36 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.937 0 O-C-N 120.49 -1.381 . . . . 0.0 113.441 -172.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -175.96 163.83 33.57 Favored Glycine 0 CA--C 1.546 1.992 0 CA-C-O 117.887 -1.507 . . . . 0.0 115.411 173.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_exo -53.36 -48.47 21.8 Favored 'Trans proline' 0 C--N 1.36 1.157 0 C-N-CA 125.028 3.819 . . . . 0.0 115.76 175.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 22.8 mttm -64.98 -28.8 69.76 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 113.981 1.104 . . . . 0.0 113.981 173.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 38.7 t -66.55 -58.58 4.91 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 117.462 -1.256 . . . . 0.0 111.243 171.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -52.56 -39.34 29.27 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 N-CA-C 115.292 1.59 . . . . 0.0 115.292 171.097 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.3 ttmt -56.6 -56.48 20.83 Favored 'General case' 0 CA--C 1.55 0.976 0 CA-C-N 120.278 1.399 . . . . 0.0 113.539 170.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.78 -51.16 64.33 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.294 1.038 . . . . 0.0 111.173 173.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.411 ' CE2' HD11 ' A' ' 41' ' ' ILE . 2.9 t80 -55.35 -58.77 6.36 Favored 'General case' 0 C--N 1.347 0.495 0 C-N-CA 124.682 1.193 . . . . 0.0 111.684 177.8 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.418 ' O ' ' HD1' ' A' ' 56' ' ' TYR . 24.6 mtpp -61.77 -39.27 91.06 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 117.369 -1.301 . . . . 0.0 113.845 -177.678 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -68.24 -48.55 64.8 Favored 'General case' 0 C--O 1.244 0.773 0 CA-C-N 121.604 2.002 . . . . 0.0 114.047 176.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.2 m -59.59 -41.76 90.99 Favored 'General case' 0 CA--C 1.551 0.996 0 N-CA-C 113.682 0.993 . . . . 0.0 113.682 171.108 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 7.9 t -65.07 -41.86 94.67 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 119.826 1.194 . . . . 0.0 113.355 176.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.418 ' HD1' ' O ' ' A' ' 52' ' ' LYS . 35.6 m-85 -64.84 -36.4 84.22 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-O 117.329 -1.319 . . . . 0.0 113.104 172.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 21.9 mm -60.89 -45.55 98.01 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 CA-C-N 121.083 1.765 . . . . 0.0 113.135 166.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.56 -44.92 81.41 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 113.636 0.976 . . . . 0.0 113.636 172.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -65.05 -38.15 89.9 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 123.858 0.863 . . . . 0.0 112.986 172.018 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -64.33 -41.03 97.0 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 120.537 1.517 . . . . 0.0 113.315 170.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 90.5 t -62.04 -40.67 88.23 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.819 0 CA-C-N 119.651 1.114 . . . . 0.0 112.427 170.223 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 13.3 tpt180 -61.69 -42.43 98.93 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-N 119.204 0.911 . . . . 0.0 113.314 169.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.7 -54.21 14.88 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 114.383 1.253 . . . . 0.0 114.383 173.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -80.37 66.21 5.8 Favored 'General case' 0 CA--C 1.549 0.937 0 CA-C-N 120.523 1.51 . . . . 0.0 113.404 -174.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -102.98 -51.41 3.27 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-O 117.961 -1.019 . . . . 0.0 113.429 173.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . . . . . . . . 1 C--N 1.234 -4.446 0 CA-C-N 119.86 1.209 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.8 mtp . . . . . 0 CA--C 1.552 1.039 0 N-CA-C 114.893 1.442 . . . . 0.0 114.893 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -78.85 94.86 5.26 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-O 122.904 1.335 . . . . 0.0 111.616 -175.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -54.61 -41.84 70.43 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 113.472 -1.695 . . . . 0.0 112.768 177.416 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 60.4 tttm -54.99 -37.69 66.88 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.444 1.098 . . . . 0.0 112.808 171.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.0 tppt? -74.47 -38.78 62.83 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 120.156 1.343 . . . . 0.0 113.167 177.038 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.3 mp -59.42 -50.95 78.01 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.177 0 CA-C-N 120.516 1.507 . . . . 0.0 109.521 166.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.26 -32.2 70.94 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-O 116.458 -1.735 . . . . 0.0 114.299 175.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 72.9 mt-10 -66.41 -59.07 4.02 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 123.755 2.98 . . . . 0.0 114.051 167.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -67.67 -45.19 75.95 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 120.092 1.314 . . . . 0.0 113.041 -176.51 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.55 -1.58 22.05 Favored 'General case' 0 CA--C 1.558 1.28 0 N-CA-C 116.7 2.111 . . . . 0.0 116.7 164.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.52 -42.46 35.48 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 125.343 3.701 . . . . 0.0 112.682 151.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 52.0 mtpt -68.27 54.38 0.07 Allowed 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 125.143 1.377 . . . . 0.0 113.867 178.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -57.56 -26.93 62.16 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 115.729 1.751 . . . . 0.0 115.729 -178.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.38 -30.94 68.78 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.938 1.295 . . . . 0.0 113.6 166.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -89.96 71.59 7.49 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-O 125.082 2.372 . . . . 0.0 109.766 173.048 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.421 ' O ' ' HB2' ' A' ' 20' ' ' LYS . . . -55.69 -44.7 77.6 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 108.868 -3.787 . . . . 0.0 114.528 -168.304 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 31.7 ttm -65.89 -34.78 78.92 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.081 0.952 . . . . 0.0 112.641 177.018 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 73.8 mt -82.07 -42.99 18.47 Favored 'General case' 0 C--O 1.238 0.493 0 O-C-N 121.252 -0.905 . . . . 0.0 112.687 -174.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.79 -30.4 71.04 Favored 'General case' 0 CA--C 1.55 0.952 0 O-C-N 121.272 -0.892 . . . . 0.0 112.559 164.511 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.421 ' HB2' ' O ' ' A' ' 16' ' ' ALA . 3.2 tmtt? -64.29 -38.56 91.49 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-N 121.868 2.122 . . . . 0.0 110.329 167.52 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 94.2 m -54.52 -42.04 70.39 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 122.489 2.404 . . . . 0.0 113.787 167.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -50.34 -53.46 28.72 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 118.651 0.66 . . . . 0.0 112.064 163.417 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.276 7.2 m-30 -73.68 -26.2 60.62 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 -173.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -56.88 -47.67 79.92 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.189 0.996 . . . . 0.0 112.17 159.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.52 -44.02 85.58 Favored Glycine 0 CA--C 1.535 1.3 0 C-N-CA 123.825 0.726 . . . . 0.0 114.427 169.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.28 -50.03 71.72 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 114.44 1.274 . . . . 0.0 114.44 175.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . 0.402 2.9 p90 -81.14 83.92 6.67 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-N 122.371 2.35 . . . . 0.0 114.006 172.504 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -92.52 38.59 1.02 Allowed 'General case' 0 CA--C 1.555 1.164 0 CA-C-N 112.424 -2.171 . . . . 0.0 113.749 177.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 20.3 m120 -63.36 -24.23 67.76 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 115.554 1.687 . . . . 0.0 115.554 -175.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -64.46 -29.52 70.57 Favored 'General case' 0 CA--C 1.549 0.925 0 N-CA-C 115.057 1.502 . . . . 0.0 115.057 169.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . 0.275 28.2 m-20 53.94 35.41 21.83 Favored 'General case' 0 CA--C 1.55 0.948 0 N-CA-C 117.285 2.328 . . . . 0.0 117.285 -170.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -77.64 173.56 11.9 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-O 122.554 1.169 . . . . 0.0 113.134 163.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.8 p -71.45 131.51 43.43 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 120.783 -1.198 . . . . 0.0 112.012 169.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 98.4 m -56.36 -49.1 75.38 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.954 1.302 . . . . 0.0 114.243 -170.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -76.01 -15.67 60.1 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 114.375 1.25 . . . . 0.0 114.375 -179.303 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -86.33 -41.77 14.25 Favored 'General case' 0 C--O 1.242 0.689 0 CA-C-N 121.183 1.81 . . . . 0.0 111.958 171.292 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.551 ' O ' HD13 ' A' ' 41' ' ' ILE 0.266 15.5 ptt180 -66.15 -37.97 86.97 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-O 118.37 -0.824 . . . . 0.0 111.305 167.775 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . 0.25 . . -89.29 9.4 26.12 Favored 'General case' 0 CA--C 1.551 1.005 0 N-CA-C 116.864 2.172 . . . . 0.0 116.864 169.084 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.28 -39.53 71.48 Favored 'General case' 0 CA--C 1.542 0.65 0 O-C-N 118.917 -2.364 . . . . 0.0 111.956 144.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 75.4 mtm180 -68.75 -42.27 77.75 Favored 'General case' 0 CA--C 1.551 1.008 0 N-CA-C 114.061 1.134 . . . . 0.0 114.061 168.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.551 HD13 ' O ' ' A' ' 37' ' ' ARG 0.251 3.4 mp -74.19 81.2 0.48 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.902 0 CA-C-O 127.121 3.343 . . . . 0.0 112.485 162.054 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 62.3 pttt -98.07 16.29 21.6 Favored 'General case' 0 CA--C 1.548 0.871 1 CA-C-N 107.529 -4.396 . . . . 0.0 115.319 -173.707 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 82.3 mt -65.3 -43.01 95.17 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.846 0 N-CA-C 113.938 1.088 . . . . 0.0 113.938 -168.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -176.27 166.79 38.05 Favored Glycine 0 CA--C 1.542 1.78 0 CA-C-O 118.202 -1.332 . . . . 0.0 115.935 176.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -61.29 -44.48 23.13 Favored 'Trans proline' 0 C--N 1.359 1.108 0 C-N-CA 124.544 3.496 . . . . 0.0 115.915 -175.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -64.1 -32.82 74.53 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.732 0.813 . . . . 0.0 112.688 171.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 36.0 t -64.55 -59.86 3.81 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-O 117.136 -1.412 . . . . 0.0 111.276 174.149 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -49.89 -41.53 17.54 Favored 'Isoleucine or valine' 0 C--N 1.351 0.656 0 CA-C-N 120.6 1.545 . . . . 0.0 114.876 170.141 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.3 mmtt -64.05 -49.9 70.51 Favored 'General case' 0 CA--C 1.552 1.039 0 N-CA-C 115.445 1.646 . . . . 0.0 115.445 174.098 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.12 -50.03 65.31 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 124.332 1.053 . . . . 0.0 110.445 168.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.44 ' CE2' HD11 ' A' ' 41' ' ' ILE . 3.5 t80 -55.35 -59.19 5.15 Favored 'General case' 0 C--N 1.348 0.51 0 C-N-CA 124.99 1.316 . . . . 0.0 112.235 177.03 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 18.4 mmmt -59.94 -42.38 93.88 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 114.079 1.14 . . . . 0.0 114.079 -178.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . 0.25 13.9 m-20 -72.15 -41.73 66.76 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 121.229 1.831 . . . . 0.0 114.118 177.522 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.7 m -60.05 -35.52 75.3 Favored 'General case' 0 CA--C 1.551 0.982 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 166.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.6 t -66.05 -36.73 84.03 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 119.899 1.227 . . . . 0.0 113.178 173.323 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 43.6 m-85 -61.71 -40.23 94.32 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 120.225 1.375 . . . . 0.0 113.651 165.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 21.5 mm -60.79 -42.91 94.09 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 CA-C-N 119.773 1.17 . . . . 0.0 112.867 169.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.03 -43.2 86.62 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 113.958 1.096 . . . . 0.0 113.958 172.125 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -60.43 -43.35 96.88 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 119.672 1.124 . . . . 0.0 113.517 169.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -60.03 -39.84 87.28 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 123.737 0.815 . . . . 0.0 112.89 173.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 97.4 t -65.87 -55.73 18.09 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.748 0 CA-C-O 118.661 -0.685 . . . . 0.0 112.434 167.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.763 ' HE ' ' N ' ' A' ' 66' ' ' SER . 1.6 mmp_? -65.75 -12.34 53.06 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 116.105 1.891 . . . . 0.0 116.105 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.34 -26.81 68.64 Favored 'General case' 0 CA--C 1.547 0.845 0 O-C-N 120.835 -1.165 . . . . 0.0 114.133 160.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -125.87 -29.11 3.14 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 115.099 1.518 . . . . 0.0 115.099 178.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 92.3 mm-40 -107.79 -67.58 0.95 Allowed 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 121.713 2.052 . . . . 0.0 111.688 168.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.763 ' N ' ' HE ' ' A' ' 62' ' ' ARG . . . . . . . . 1 C--N 1.234 -4.434 0 O-C-N 119.915 -1.741 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.9 mtp . . . . . 0 CA--C 1.548 0.896 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 72.7 mt -59.2 -47.75 84.17 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 114.423 1.268 . . . . 0.0 114.423 -176.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -58.99 -42.32 89.74 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.57 1.148 . . . . 0.0 112.99 176.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 17.7 tptp -65.62 -44.54 86.2 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 123.893 0.877 . . . . 0.0 111.51 175.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 18.2 mtmt -62.76 -39.7 94.96 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 114.402 1.26 . . . . 0.0 114.402 172.446 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 28.1 mt -60.2 -44.86 96.33 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 CA-C-N 121.218 1.826 . . . . 0.0 110.137 168.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -58.8 -46.36 87.76 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-O 117.138 -1.411 . . . . 0.0 112.752 174.217 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -63.3 -41.32 98.94 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 123.398 2.817 . . . . 0.0 114.333 171.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.575 ' O ' ' HE1' ' A' ' 13' ' ' TYR . 65.3 mm-40 -77.35 -41.81 38.97 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 114.716 1.376 . . . . 0.0 114.716 178.55 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -103.63 43.27 1.1 Allowed 'General case' 0 CA--C 1.551 1.015 0 N-CA-C 118.68 2.844 . . . . 0.0 118.68 163.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.8 28.6 0.0 OUTLIER 'General case' 0 CA--C 1.557 1.245 0 O-C-N 118.17 -2.831 . . . . 0.0 118.58 167.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 59.2 mtpt 44.03 46.89 7.2 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 127.329 2.252 . . . . 0.0 114.388 -172.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.575 ' HE1' ' O ' ' A' ' 9' ' ' GLU . 1.0 OUTLIER -123.58 -150.7 0.46 Allowed 'General case' 0 CA--C 1.55 0.975 0 CA-C-N 115.227 -0.897 . . . . 0.0 111.629 -160.474 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -71.64 -45.18 62.81 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.951 1.7 . . . . 0.0 115.178 -166.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -80.03 78.7 6.64 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-O 123.8 1.762 . . . . 0.0 114.025 -172.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.16 -54.93 32.98 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 111.335 -2.666 . . . . 0.0 116.183 -177.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 65.0 mtp -66.17 -28.97 69.18 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 113.396 0.888 . . . . 0.0 113.396 -179.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -78.13 -50.0 12.82 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.844 1.258 . . . . 0.0 112.698 -179.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 25.5 pttm -61.94 -28.94 69.9 Favored 'General case' 0 CA--C 1.547 0.86 0 O-C-N 120.942 -1.099 . . . . 0.0 113.793 164.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -66.25 -36.24 82.5 Favored 'General case' 0 CA--C 1.553 1.091 0 CA-C-N 120.911 1.687 . . . . 0.0 111.233 166.412 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.8 m -57.08 -39.39 74.87 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-N 123.408 2.822 . . . . 0.0 114.326 164.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -50.65 -52.79 36.5 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-N 119.229 0.922 . . . . 0.0 111.421 163.463 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.284 7.0 m-30 -74.63 -21.67 59.32 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 114.423 1.268 . . . . 0.0 114.423 -174.715 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -58.16 -49.04 78.41 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.584 0.754 . . . . 0.0 112.857 156.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.28 -40.6 98.82 Favored Glycine 0 CA--C 1.532 1.146 0 N-CA-C 115.2 0.84 . . . . 0.0 115.2 173.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.66 -42.46 95.37 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 113.199 0.814 . . . . 0.0 113.199 172.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -74.75 73.94 2.07 Favored 'General case' 0 CA--C 1.554 1.107 0 CA-C-O 123.215 1.483 . . . . 0.0 112.429 173.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 73.4 ttt180 -95.14 115.35 27.32 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.692 169.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -134.13 -106.81 0.23 Allowed 'General case' 0 CA--C 1.553 1.077 0 CA-C-O 117.796 -1.097 . . . . 0.0 112.909 -165.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -63.7 -24.0 67.6 Favored 'General case' 0 CA--C 1.55 0.947 0 CA-C-N 122.448 2.385 . . . . 0.0 113.299 174.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -68.44 125.54 26.79 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-O 122.661 1.219 . . . . 0.0 112.815 174.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -65.65 -59.85 3.51 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 114.369 -1.287 . . . . 0.0 113.914 176.179 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 92.8 m -123.77 112.3 17.16 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 118.751 0.705 . . . . 0.0 111.795 -174.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 12.1 p -63.2 -27.41 69.34 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 116.364 1.986 . . . . 0.0 116.364 -177.154 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -70.11 -29.8 66.85 Favored 'General case' 0 CA--C 1.55 0.977 0 CA-C-N 119.792 1.178 . . . . 0.0 114.072 174.154 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -69.81 -47.23 63.57 Favored 'General case' 0 CA--C 1.548 0.872 0 O-C-N 119.998 -1.689 . . . . 0.0 111.041 172.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.508 ' O ' HD13 ' A' ' 41' ' ' ILE . 67.7 ttt180 -52.36 -48.65 65.42 Favored 'General case' 0 CA--C 1.547 0.863 0 CA-C-N 113.333 -1.758 . . . . 0.0 112.277 167.182 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -87.98 7.72 29.77 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 117.344 2.35 . . . . 0.0 117.344 172.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.04 -47.65 79.37 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 119.188 -2.195 . . . . 0.0 110.375 143.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 84.7 mtt-85 -66.66 -47.45 72.48 Favored 'General case' 0 CA--C 1.554 1.133 0 N-CA-C 114.594 1.331 . . . . 0.0 114.594 174.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.508 HD13 ' O ' ' A' ' 37' ' ' ARG . 3.3 mp -67.04 90.23 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 CA-C-O 126.426 3.012 . . . . 0.0 112.663 168.574 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.18 46.08 2.05 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-N 109.171 -3.649 . . . . 0.0 112.496 176.026 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 89.6 mt -68.97 -40.96 81.6 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.813 0 O-C-N 121.373 -0.829 . . . . 0.0 111.927 177.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -169.16 158.1 30.43 Favored Glycine 0 CA--C 1.544 1.882 0 CA-C-O 117.465 -1.742 . . . . 0.0 114.117 174.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -51.63 -44.72 42.44 Favored 'Trans proline' 0 C--N 1.359 1.103 0 C-N-CA 125.013 3.809 . . . . 0.0 115.747 176.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 51.2 tttm -65.88 -32.91 74.68 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 124.464 1.106 . . . . 0.0 112.235 175.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -68.02 -55.67 11.76 Favored 'General case' 0 C--N 1.348 0.54 0 C-N-CA 124.347 1.059 . . . . 0.0 111.061 174.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -54.22 -39.72 44.14 Favored 'Isoleucine or valine' 0 C--N 1.351 0.669 0 N-CA-C 114.901 1.445 . . . . 0.0 114.901 171.132 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.0 tttt -56.37 -58.85 6.23 Favored 'General case' 0 CA--C 1.549 0.942 0 CA-C-N 119.564 1.075 . . . . 0.0 112.967 171.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.05 -50.13 59.22 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.579 1.152 . . . . 0.0 111.664 173.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.437 ' CE2' HD11 ' A' ' 41' ' ' ILE . 1.9 t80 -55.01 -55.79 26.96 Favored 'General case' 0 C--N 1.349 0.577 0 CA-C-O 117.521 -1.228 . . . . 0.0 111.596 176.186 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.6 mmmt -59.95 -41.5 92.02 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 120.06 1.3 . . . . 0.0 113.858 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -62.47 -50.12 72.69 Favored 'General case' 0 CA--C 1.55 0.971 0 CA-C-N 120.879 1.672 . . . . 0.0 112.972 177.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 17.5 m -63.12 -37.82 88.73 Favored 'General case' 0 CA--C 1.555 1.141 0 N-CA-C 114.634 1.346 . . . . 0.0 114.634 170.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.7 t -60.11 -40.65 90.42 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 120.769 1.622 . . . . 0.0 113.198 169.062 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -62.61 -40.54 97.29 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-O 115.835 -2.031 . . . . 0.0 113.882 169.222 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.435 1.9 pp -69.79 -31.92 50.14 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 CA-C-N 124.377 3.262 . . . . 0.0 114.663 169.349 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.02 -40.42 93.51 Favored 'General case' 0 CA--C 1.547 0.847 0 CA-C-N 120.319 1.418 . . . . 0.0 112.806 169.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -63.29 -41.61 99.0 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 112.948 0.721 . . . . 0.0 112.948 170.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 30.3 mm100 -62.52 -40.1 95.67 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-O 118.113 -0.946 . . . . 0.0 113.376 170.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 94.3 t -60.04 -45.11 95.92 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.808 0 CA-C-N 120.289 1.404 . . . . 0.0 112.437 170.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -64.15 -35.83 82.07 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 114.911 1.449 . . . . 0.0 114.911 171.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.81 -53.26 10.66 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 120.231 1.378 . . . . 0.0 114.161 171.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -81.7 67.48 7.69 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-O 123.348 1.547 . . . . 0.0 113.094 -175.161 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 91.2 mm-40 -95.28 -52.1 4.32 Favored 'General case' 0 CA--C 1.546 0.821 0 CA-C-N 114.833 -1.076 . . . . 0.0 113.38 173.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . . . . . . . . 1 C--N 1.233 -4.458 0 CA-C-N 119.851 1.205 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 46.7 mmm . . . . . 0 CA--C 1.545 0.766 0 N-CA-C 115.756 1.762 . . . . 0.0 115.756 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 59.9 mt -75.14 73.0 2.27 Favored 'General case' 0 CA--C 1.554 1.096 0 CA-C-O 124.708 2.194 . . . . 0.0 114.584 -175.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -59.31 -24.98 63.76 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 112.33 -2.214 . . . . 0.0 114.12 169.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -60.17 -44.39 95.08 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.723 1.209 . . . . 0.0 112.486 169.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.34 -41.43 76.63 Favored 'General case' 0 C--O 1.241 0.626 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 172.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 72.2 mt -56.13 -53.05 43.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 CA-C-O 117.477 -1.249 . . . . 0.0 109.722 168.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -73.26 -10.81 60.16 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 121.403 1.91 . . . . 0.0 115.73 176.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -68.76 -40.99 79.46 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 125.718 3.872 . . . . 0.0 111.711 160.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -86.14 -31.23 21.94 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 114.635 1.346 . . . . 0.0 114.635 178.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -99.04 28.51 4.36 Favored 'General case' 0 CA--C 1.558 1.268 0 N-CA-C 119.399 3.111 . . . . 0.0 119.399 158.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.94 56.22 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.25 0 O-C-N 117.309 -3.369 . . . . 0.0 117.287 164.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . 0.272 0.8 OUTLIER 65.63 -50.05 0.38 Allowed 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 128.308 2.643 . . . . 0.0 114.074 177.232 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 64.17 130.29 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 120.374 3.472 . . . . 0.0 120.374 167.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm -66.99 -43.43 82.96 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 109.959 -3.291 . . . . 0.0 111.567 150.018 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -82.52 68.54 9.01 Favored 'General case' 0 CA--C 1.554 1.099 0 CA-C-O 125.542 2.591 . . . . 0.0 112.273 177.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.57 -36.36 80.43 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 109.724 -3.398 . . . . 0.0 114.758 -177.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 62.5 mtp -65.37 -31.62 72.82 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.9 0.88 . . . . 0.0 112.984 174.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -78.44 -46.66 19.24 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.375 1.07 . . . . 0.0 112.394 176.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -50.29 -40.79 49.44 Favored 'General case' 0 CA--C 1.561 1.373 0 N-CA-C 115.126 1.528 . . . . 0.0 115.126 157.153 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.6 tptp -63.2 -35.7 81.19 Favored 'General case' 0 CA--C 1.551 0.986 0 O-C-N 118.555 -2.591 . . . . 0.0 112.686 169.013 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -56.14 -41.36 75.26 Favored 'General case' 0 CA--C 1.553 1.087 0 CA-C-N 121.322 1.873 . . . . 0.0 112.02 167.098 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -48.79 -54.26 15.83 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 124.12 0.968 . . . . 0.0 111.657 163.434 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.256 9.1 m-30 -71.74 -31.64 66.88 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 114.888 1.44 . . . . 0.0 114.888 -173.488 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -62.08 -33.04 73.68 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 113.331 0.863 . . . . 0.0 113.331 164.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -74.9 -40.39 36.12 Favored Glycine 0 CA--C 1.535 1.313 0 CA-C-N 118.943 0.792 . . . . 0.0 114.682 168.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.12 -35.5 73.56 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.355 1.062 . . . . 0.0 113.658 176.276 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -70.74 72.3 0.53 Allowed 'General case' 0 CA--C 1.554 1.134 0 O-C-N 121.219 -0.926 . . . . 0.0 112.656 163.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -65.12 112.51 3.42 Favored 'General case' 0 CA--C 1.55 0.946 0 CA-C-O 122.706 1.241 . . . . 0.0 113.191 177.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -69.15 142.57 54.33 Favored 'General case' 0 CA--C 1.551 1.008 0 CA-C-N 113.702 -1.59 . . . . 0.0 114.263 176.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -69.51 61.23 0.15 Allowed 'General case' 0 CA--C 1.549 0.92 0 CA-C-O 123.625 1.679 . . . . 0.0 115.381 -179.19 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -104.67 -172.51 2.11 Favored 'General case' 0 CA--C 1.554 1.133 0 CA-C-N 113.692 -1.595 . . . . 0.0 110.612 168.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -65.19 -62.96 1.23 Allowed 'General case' 0 CA--C 1.545 0.786 0 O-C-N 120.623 -1.298 . . . . 0.0 110.547 172.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.2 t -144.24 138.09 27.76 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-O 122.074 0.94 . . . . 0.0 111.789 170.061 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.5 p -66.21 -27.83 68.28 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 115.166 -0.924 . . . . 0.0 113.306 172.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -69.73 -23.48 63.4 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 114.869 1.433 . . . . 0.0 114.869 -175.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -66.4 -53.31 37.28 Favored 'General case' 0 CA--C 1.546 0.827 0 CA-C-N 119.505 1.048 . . . . 0.0 111.656 169.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.472 ' O ' HG13 ' A' ' 41' ' ' ILE . 57.0 mtp180 -59.6 -46.95 87.44 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 114.742 -1.117 . . . . 0.0 111.981 172.041 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -77.9 -5.85 52.38 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 117.396 2.369 . . . . 0.0 117.396 173.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.39 -46.94 78.07 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 119.698 -1.876 . . . . 0.0 111.55 151.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.3 mtp180 -73.98 -21.99 59.79 Favored 'General case' 0 CA--C 1.552 1.04 0 N-CA-C 115.878 1.807 . . . . 0.0 115.878 174.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.472 HG13 ' O ' ' A' ' 37' ' ' ARG . 52.6 mt -67.53 95.03 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 CA-C-O 125.208 2.433 . . . . 0.0 109.93 166.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.15 27.52 9.58 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 110.298 -3.137 . . . . 0.0 115.202 179.493 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 47.7 pt -68.91 -30.64 47.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 N-CA-C 115.217 1.562 . . . . 0.0 115.217 -175.081 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -171.42 137.63 4.46 Favored Glycine 0 CA--C 1.543 1.836 0 CA-C-O 116.56 -2.245 . . . . 0.0 113.03 175.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -62.45 -44.69 17.21 Favored 'Trans proline' 0 CA--C 1.545 1.063 0 CA-C-N 123.688 3.744 . . . . 0.0 116.674 -171.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.5 tmtt? -69.69 -30.06 67.62 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 119.064 0.847 . . . . 0.0 111.182 173.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -65.58 -58.42 5.82 Favored 'General case' 0 C--N 1.35 0.594 0 CA-C-O 116.084 -1.912 . . . . 0.0 108.893 175.17 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . 0.269 0.1 OUTLIER -54.85 -36.2 36.56 Favored 'Isoleucine or valine' 0 C--N 1.352 0.689 0 CA-C-N 122.377 2.353 . . . . 0.0 115.866 169.437 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 51.3 tttm -56.27 -55.24 35.73 Favored 'General case' 0 CA--C 1.551 1.0 0 CA-C-N 122.238 2.29 . . . . 0.0 112.454 170.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.64 -54.59 45.35 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.906 0.882 . . . . 0.0 112.83 172.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -58.98 -57.28 13.76 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 125.055 1.342 . . . . 0.0 114.053 179.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.3 ttpp -71.52 -28.69 64.06 Favored 'General case' 0 CA--C 1.552 1.02 0 CA-C-N 118.63 0.65 . . . . 0.0 111.113 -175.06 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.417 ' O ' HG12 ' A' ' 57' ' ' ILE . 89.1 m-20 -74.24 -46.09 43.86 Favored 'General case' 0 C--N 1.359 0.998 0 CA-C-N 121.031 1.741 . . . . 0.0 113.163 173.36 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.2 m -56.76 -43.23 80.57 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 120.089 1.313 . . . . 0.0 113.106 167.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -58.4 -45.84 87.6 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 120.133 1.333 . . . . 0.0 113.452 171.788 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -57.96 -46.63 84.82 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 120.036 1.289 . . . . 0.0 113.008 171.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.417 HG12 ' O ' ' A' ' 53' ' ' ASP . 5.0 mm -65.72 -40.73 88.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 CA-C-N 120.173 1.351 . . . . 0.0 112.319 177.13 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.0 -44.29 94.64 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 171.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -63.89 -41.21 97.78 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 123.662 0.785 . . . . 0.0 112.766 171.116 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -57.89 -46.56 84.73 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.454 1.102 . . . . 0.0 112.539 170.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 84.5 t -62.53 -49.17 84.92 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.703 0 CA-C-O 117.84 -1.076 . . . . 0.0 112.562 171.006 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 63.9 mtp180 -66.6 -23.62 66.21 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 121.229 1.831 . . . . 0.0 115.731 176.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.49 -36.66 65.82 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 120.687 1.585 . . . . 0.0 113.571 164.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -76.21 -44.17 38.94 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.1 0.96 . . . . 0.0 113.407 175.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 11.4 mm-40 -128.64 -62.41 1.02 Allowed 'General case' 0 CA--C 1.546 0.818 0 O-C-N 120.405 -1.435 . . . . 0.0 113.13 176.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . . . . . . . . 1 C--N 1.234 -4.428 0 CA-C-N 120.108 1.322 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 75.4 mmm . . . . . 0 CA--C 1.548 0.886 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 9.1 mp -60.47 -44.47 95.87 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.917 1.287 . . . . 0.0 113.575 -177.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 26.6 mp0 -59.57 -43.98 93.43 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.494 1.518 . . . . 0.0 112.897 177.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -62.7 -44.64 95.71 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.941 0.897 . . . . 0.0 112.381 173.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.2 mtpt -66.29 -36.5 83.11 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-O 117.416 -1.278 . . . . 0.0 114.291 175.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 15.7 mt -60.76 -47.68 92.1 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 CA-C-N 121.673 2.033 . . . . 0.0 109.626 167.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -56.23 -51.48 67.94 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.026 0.931 . . . . 0.0 112.83 174.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -66.71 -29.17 69.1 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 121.744 2.065 . . . . 0.0 114.814 178.182 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -93.44 -28.99 15.8 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 120.624 1.556 . . . . 0.0 115.016 174.198 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -107.07 33.1 4.14 Favored 'General case' 0 CA--C 1.557 1.231 0 N-CA-C 119.272 3.064 . . . . 0.0 119.272 162.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -49.45 -58.69 4.7 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 118.136 2.643 . . . . 0.0 118.136 177.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -155.6 -58.99 0.1 Allowed 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.518 1.127 . . . . 0.0 108.804 174.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 70.62 123.1 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 120.902 3.667 . . . . 0.0 120.902 167.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.79 -47.7 77.15 Favored 'General case' 0 CA--C 1.55 0.96 0 CA-C-N 110.036 -3.256 . . . . 0.0 109.877 149.826 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -82.81 68.01 9.11 Favored 'General case' 0 CA--C 1.551 1.009 0 CA-C-O 126.818 3.199 . . . . 0.0 113.662 176.01 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.45 -29.21 67.63 Favored 'General case' 0 CA--C 1.537 0.456 1 CA-C-N 107.471 -4.422 . . . . 0.0 113.005 176.49 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 47.8 mtm -64.99 -32.64 74.46 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.791 1.236 . . . . 0.0 113.562 171.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 73.4 mt -85.01 -40.56 16.73 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 121.167 -0.958 . . . . 0.0 111.585 -179.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 73.6 tttt -55.44 -42.1 73.76 Favored 'General case' 0 CA--C 1.557 1.244 0 N-CA-C 114.502 1.297 . . . . 0.0 114.502 157.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.2 ttpp -69.25 -21.2 63.92 Favored 'General case' 0 CA--C 1.552 1.046 0 O-C-N 119.034 -2.291 . . . . 0.0 112.691 170.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.2 t -65.58 -37.33 86.36 Favored 'General case' 0 CA--C 1.551 1.001 0 O-C-N 120.079 -1.638 . . . . 0.0 112.666 163.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -51.63 -54.4 28.25 Favored 'General case' 0 N--CA 1.485 1.307 0 CA-C-N 119.385 0.993 . . . . 0.0 111.009 159.542 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.295 4.8 m-30 -73.56 -19.57 60.86 Favored 'General case' 0 CA--C 1.554 1.104 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 -174.131 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.52 -48.83 80.14 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.663 1.585 . . . . 0.0 111.997 157.705 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.71 -41.03 95.61 Favored Glycine 0 CA--C 1.532 1.132 0 N-CA-C 115.418 0.927 . . . . 0.0 115.418 171.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.94 -43.51 87.83 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 113.741 1.015 . . . . 0.0 113.741 173.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -74.63 67.51 1.55 Allowed 'General case' 0 CA--C 1.556 1.201 0 CA-C-O 123.298 1.523 . . . . 0.0 112.844 177.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 70.1 ttt180 -79.0 63.07 3.59 Favored 'General case' 0 CA--C 1.553 1.093 0 CA-C-O 124.303 2.002 . . . . 0.0 112.704 175.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -120.42 -33.24 3.91 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 113.414 -1.721 . . . . 0.0 113.356 178.015 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -66.24 -35.54 80.69 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 114.007 1.114 . . . . 0.0 114.007 179.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -142.04 145.8 34.78 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.541 1.136 . . . . 0.0 109.478 178.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -65.77 -32.01 73.31 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 178.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 18.1 p -118.64 101.28 8.0 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 120.22 1.373 . . . . 0.0 112.548 -177.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.6 p -63.18 -32.7 74.16 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 115.87 1.804 . . . . 0.0 115.87 -175.039 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -67.16 -39.09 86.45 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 124.043 0.937 . . . . 0.0 113.422 174.211 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -72.77 -42.74 63.65 Favored 'General case' 0 CA--C 1.547 0.836 0 O-C-N 121.04 -1.037 . . . . 0.0 110.526 176.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.573 ' O ' HD13 ' A' ' 41' ' ' ILE . 64.5 ttt180 -51.92 -47.41 64.68 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 115.052 -0.976 . . . . 0.0 112.121 165.443 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -83.46 -1.22 53.07 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 117.72 2.489 . . . . 0.0 117.72 172.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.94 -32.88 74.43 Favored 'General case' 0 CA--C 1.548 0.894 0 O-C-N 119.828 -1.795 . . . . 0.0 112.086 148.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 28.5 mtt180 -73.87 -47.19 39.95 Favored 'General case' 0 CA--C 1.555 1.158 0 O-C-N 121.158 -0.964 . . . . 0.0 113.243 168.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.573 HD13 ' O ' ' A' ' 37' ' ' ARG 0.278 3.3 mp -67.92 86.38 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.878 0 CA-C-O 126.855 3.217 . . . . 0.0 114.257 171.27 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -100.01 13.41 34.09 Favored 'General case' 0 CA--C 1.548 0.897 1 CA-C-N 107.742 -4.299 . . . . 0.0 115.138 179.185 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 91.5 mt -63.08 -38.89 83.26 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.937 0 N-CA-C 114.428 1.27 . . . . 0.0 114.428 -167.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -167.88 159.86 33.25 Favored Glycine 0 CA--C 1.544 1.903 0 CA-C-O 117.934 -1.481 . . . . 0.0 115.002 175.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_exo -53.54 -50.72 12.87 Favored 'Trans proline' 0 C--N 1.36 1.162 0 C-N-CA 124.827 3.685 . . . . 0.0 115.419 174.276 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -61.34 -32.55 72.43 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 113.436 0.902 . . . . 0.0 113.436 173.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 3.9 t -64.29 -59.37 4.47 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-O 117.757 -1.116 . . . . 0.0 109.628 175.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . 0.286 0.0 OUTLIER -55.3 -38.17 46.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 N-CA-C 115.561 1.689 . . . . 0.0 115.561 172.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 24.8 mtpt -56.05 -55.24 35.28 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 121.601 2.001 . . . . 0.0 113.613 169.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.53 -52.61 63.13 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.587 1.155 . . . . 0.0 110.319 176.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.444 ' CE2' HD11 ' A' ' 41' ' ' ILE . 1.7 t80 -55.16 -55.89 26.13 Favored 'General case' 0 C--N 1.346 0.421 0 CA-C-O 117.019 -1.467 . . . . 0.0 111.481 177.294 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 47.0 mttm -57.98 -47.91 81.57 Favored 'General case' 0 C--N 1.345 0.409 0 CA-C-N 120.181 1.355 . . . . 0.0 113.638 -178.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -67.82 -44.05 78.18 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 120.473 1.488 . . . . 0.0 113.565 -178.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 17.5 m -62.28 -37.29 84.93 Favored 'General case' 0 CA--C 1.557 1.218 0 N-CA-C 114.038 1.125 . . . . 0.0 114.038 168.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.6 t -62.85 -41.72 99.47 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 120.715 1.598 . . . . 0.0 114.127 170.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -65.39 -31.87 73.21 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 120.682 1.583 . . . . 0.0 112.961 171.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 21.6 mm -62.67 -48.24 89.11 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 CA-C-N 120.595 1.543 . . . . 0.0 113.112 163.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.02 -46.67 71.89 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 123.9 0.88 . . . . 0.0 113.196 173.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -63.89 -32.95 74.65 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 174.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -68.39 -56.25 9.16 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 119.66 1.118 . . . . 0.0 112.814 166.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . 0.26 33.1 m -64.89 -22.89 32.3 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 CA-C-N 120.905 1.684 . . . . 0.0 115.006 -176.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 12.9 mmt85 -59.72 -19.56 50.77 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 120.916 1.689 . . . . 0.0 114.976 166.219 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.69 -25.72 44.82 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 120.399 1.454 . . . . 0.0 112.929 170.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -94.45 -46.36 7.04 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 121.622 -0.674 . . . . 0.0 112.421 173.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -115.05 -59.87 1.96 Allowed 'General case' 0 CA--C 1.546 0.798 0 O-C-N 120.883 -1.136 . . . . 0.0 113.449 -177.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . . . . . . . . 1 C--N 1.234 -4.418 0 CA-C-N 120.068 1.304 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.5 ttm . . . . . 0 CA--C 1.548 0.901 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 73.6 mt -78.0 58.99 2.07 Favored 'General case' 0 CA--C 1.552 1.047 0 CA-C-O 123.862 1.791 . . . . 0.0 114.083 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -61.02 -34.39 74.76 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 113.22 -1.809 . . . . 0.0 112.612 175.013 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 52.7 tttp -54.4 -45.57 72.96 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.308 1.443 . . . . 0.0 113.108 172.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.9 tptp -72.71 -37.13 67.89 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 119.014 0.824 . . . . 0.0 112.552 176.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 60.0 mt -58.85 -48.38 86.45 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 CA-C-N 119.385 0.993 . . . . 0.0 110.16 167.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -61.0 -45.16 95.94 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 116.69 -1.624 . . . . 0.0 113.556 175.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 -63.85 -39.18 93.61 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 124.035 3.107 . . . . 0.0 114.288 175.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.509 ' O ' ' HE1' ' A' ' 13' ' ' TYR . 0.5 OUTLIER -82.94 -37.92 23.48 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 114.672 1.36 . . . . 0.0 114.672 177.182 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -105.96 45.65 0.96 Allowed 'General case' 0 CA--C 1.553 1.07 0 N-CA-C 117.959 2.578 . . . . 0.0 117.959 162.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.7 28.01 0.01 OUTLIER 'General case' 0 CA--C 1.554 1.117 0 N-CA-C 119.176 3.028 . . . . 0.0 119.176 170.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 50.23 43.1 26.26 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 126.223 1.809 . . . . 0.0 113.65 -174.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.509 ' HE1' ' O ' ' A' ' 9' ' ' GLU . 0.6 OUTLIER -124.78 -152.32 0.51 Allowed 'General case' 0 CA--C 1.551 0.999 0 CA-C-N 115.174 -0.921 . . . . 0.0 111.678 -161.588 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 66.0 tttt -67.32 -47.37 70.73 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 126.259 1.824 . . . . 0.0 114.537 -166.14 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -83.16 80.28 9.11 Favored 'General case' 0 CA--C 1.545 0.75 0 CA-C-O 123.913 1.816 . . . . 0.0 114.106 -170.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.7 -46.1 77.74 Favored 'General case' 0 CA--C 1.541 0.635 0 CA-C-N 111.606 -2.543 . . . . 0.0 115.265 177.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.04 -32.62 74.43 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.15 0.98 . . . . 0.0 113.606 177.066 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 36.0 mt -85.46 -43.39 13.63 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.319 0.647 . . . . 0.0 111.463 -174.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.4 ptpp? -59.96 -32.64 71.0 Favored 'General case' 0 CA--C 1.549 0.914 0 O-C-N 120.696 -1.252 . . . . 0.0 113.539 161.125 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.1 ttpp -62.39 -39.98 94.98 Favored 'General case' 0 CA--C 1.549 0.922 0 CA-C-N 121.8 2.091 . . . . 0.0 111.615 167.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.2 m -51.73 -44.43 63.25 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 122.124 2.238 . . . . 0.0 113.125 166.299 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -50.35 -53.37 29.49 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 118.534 0.606 . . . . 0.0 112.408 166.513 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.406 ' O ' ' HD2' ' A' ' 27' ' ' TYR 0.252 6.6 m-30 -74.56 -30.53 61.77 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 114.136 1.162 . . . . 0.0 114.136 -172.824 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -62.05 -33.01 73.59 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 113.481 0.919 . . . . 0.0 113.481 163.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.43 -45.9 35.57 Favored Glycine 0 CA--C 1.537 1.466 0 CA-C-N 118.656 0.662 . . . . 0.0 114.359 167.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.07 -36.68 82.39 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 115.29 1.589 . . . . 0.0 115.29 -179.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.406 ' HD2' ' O ' ' A' ' 23' ' ' TYR . 59.4 m-85 -74.2 66.92 1.31 Allowed 'General case' 0 CA--C 1.553 1.061 0 N-CA-C 114.395 1.258 . . . . 0.0 114.395 173.256 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.472 ' HD3' ' O ' ' A' ' 29' ' ' ASN . 0.7 OUTLIER 63.68 -55.47 0.21 Allowed 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 127.154 2.181 . . . . 0.0 116.289 170.104 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.472 ' O ' ' HD3' ' A' ' 28' ' ' ARG . 28.2 t-20 71.99 146.46 0.07 Allowed 'General case' 0 CA--C 1.555 1.154 0 C-N-CA 127.488 2.315 . . . . 0.0 114.481 -171.433 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -61.91 -24.08 66.73 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 115.944 1.831 . . . . 0.0 115.944 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -101.03 144.24 30.2 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 120.233 1.379 . . . . 0.0 113.419 -174.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -69.59 -17.21 63.52 Favored 'General case' 0 CA--C 1.546 0.821 0 CA-C-N 113.641 -1.618 . . . . 0.0 114.6 172.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 89.1 m -142.71 84.34 1.84 Allowed 'General case' 0 CA--C 1.542 0.636 0 O-C-N 119.042 -2.286 . . . . 0.0 109.666 165.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 30.9 p -61.6 -20.99 63.95 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 114.016 -1.447 . . . . 0.0 114.896 -176.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.6 mp0 -64.73 -32.08 73.59 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.976 1.31 . . . . 0.0 113.239 174.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -66.26 -48.52 70.2 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-O 123.583 1.658 . . . . 0.0 111.971 171.231 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.462 ' O ' HD13 ' A' ' 41' ' ' ILE . 45.8 mmm-85 -60.88 -45.08 96.0 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 113.214 -1.812 . . . . 0.0 111.564 172.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -80.69 3.31 22.53 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 122.061 2.209 . . . . 0.0 116.679 171.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.45 -37.48 77.36 Favored 'General case' 0 CA--C 1.547 0.845 0 O-C-N 119.329 -2.107 . . . . 0.0 111.863 145.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 80.8 mtp180 -80.06 -40.53 27.5 Favored 'General case' 0 CA--C 1.558 1.265 0 N-CA-C 116.722 2.119 . . . . 0.0 116.722 171.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.462 HD13 ' O ' ' A' ' 37' ' ' ARG 0.278 2.2 mp -51.63 97.38 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.547 0.841 0 CA-C-O 126.479 3.038 . . . . 0.0 114.412 167.658 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -110.18 36.93 2.86 Favored 'General case' 0 CA--C 1.549 0.935 1 CA-C-N 108.033 -4.167 . . . . 0.0 114.342 -179.595 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 95.0 mt -68.51 -48.23 73.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 O-C-N 120.719 -1.238 . . . . 0.0 112.9 -179.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -177.14 149.32 9.42 Favored Glycine 0 CA--C 1.542 1.78 0 CA-C-O 116.095 -2.503 . . . . 0.0 113.185 176.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_exo -48.33 -57.57 2.27 Favored 'Trans proline' 0 C--N 1.36 1.174 1 C-N-CA 125.388 4.059 . . . . 0.0 117.199 -172.467 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 20.2 mtpp -66.05 -27.18 67.9 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.895 1.072 . . . . 0.0 113.895 173.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.33 -54.28 22.09 Favored 'General case' 0 C--N 1.349 0.58 0 CA-C-O 116.866 -1.54 . . . . 0.0 109.675 173.252 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -52.99 -46.7 53.99 Favored 'Isoleucine or valine' 0 C--N 1.352 0.7 0 CA-C-N 121.375 1.898 . . . . 0.0 114.318 171.065 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -55.14 -53.34 57.19 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 119.951 1.251 . . . . 0.0 113.217 174.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.44 -56.24 24.42 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.39 0.676 . . . . 0.0 111.723 174.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -59.3 -53.36 59.11 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.465 1.106 . . . . 0.0 113.536 -178.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -65.91 -44.06 86.32 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-O 118.982 -0.532 . . . . 0.0 110.922 -177.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.481 ' O ' HG12 ' A' ' 57' ' ' ILE . 39.9 m-20 -70.94 -43.79 67.44 Favored 'General case' 0 C--N 1.355 0.838 0 CA-C-N 119.683 1.128 . . . . 0.0 112.914 -177.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.5 m -57.98 -42.04 84.25 Favored 'General case' 0 CA--C 1.548 0.9 0 CA-C-O 117.505 -1.236 . . . . 0.0 113.658 166.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.59 -39.53 88.47 Favored 'General case' 0 CA--C 1.548 0.881 0 CA-C-N 121.518 1.963 . . . . 0.0 113.572 176.265 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -59.36 -44.67 92.66 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 123.453 0.701 . . . . 0.0 112.859 170.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.481 HG12 ' O ' ' A' ' 53' ' ' ASP . 6.4 mm -68.1 -35.82 73.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 O-C-N 121.383 -0.823 . . . . 0.0 112.672 174.437 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.65 -45.17 77.71 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.509 0.723 . . . . 0.0 112.864 168.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -59.55 -50.69 72.91 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 113.437 0.902 . . . . 0.0 113.437 168.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -57.36 -50.05 74.19 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.825 0.85 . . . . 0.0 113.097 177.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 76.5 t -64.19 -50.71 75.55 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.611 0 CA-C-O 118.091 -0.957 . . . . 0.0 112.736 175.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 81.6 mtt85 -74.73 -12.55 60.44 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 115.541 1.682 . . . . 0.0 115.541 -178.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.82 -31.72 65.01 Favored 'General case' 0 CA--C 1.545 0.769 0 O-C-N 120.258 -1.526 . . . . 0.0 113.23 161.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -88.92 -52.64 4.99 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.569 0.748 . . . . 0.0 112.788 176.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 29.5 mm100 -110.83 -58.18 2.13 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-O 117.997 -1.002 . . . . 0.0 113.211 -176.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . . . . . . . . 1 C--N 1.235 -4.407 0 CA-C-N 119.901 1.228 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.7 mmm . . . . . 0 CA--C 1.548 0.881 0 N-CA-C 113.912 1.079 . . . . 0.0 113.912 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -54.56 -50.03 68.94 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 115.708 1.744 . . . . 0.0 115.708 -176.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -63.05 -44.96 94.43 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.14 0.976 . . . . 0.0 112.162 174.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 20.5 tptt -69.4 -33.26 72.75 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -179.02 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 41.4 mmtt -72.42 -36.76 68.68 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 116.272 1.953 . . . . 0.0 116.272 169.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . 0.26 1.8 pt -59.75 -40.64 83.02 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 CA-C-N 123.469 2.85 . . . . 0.0 111.16 163.431 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -57.52 -62.59 1.67 Allowed 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 117.048 -1.453 . . . . 0.0 111.795 170.02 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -65.09 -31.54 72.79 Favored 'General case' 0 CA--C 1.549 0.905 0 CA-C-N 123.174 2.716 . . . . 0.0 115.269 -172.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -88.74 -52.69 4.99 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 122.541 2.428 . . . . 0.0 113.996 170.502 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.41 6.92 3.24 Favored 'General case' 0 CA--C 1.557 1.223 0 CA-C-N 122.54 2.427 . . . . 0.0 116.218 172.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.71 -48.6 30.86 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 118.046 -2.909 . . . . 0.0 113.351 152.115 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.5 ptpp? -80.9 60.61 4.19 Favored 'General case' 0 CA--C 1.551 0.983 0 CA-C-O 123.397 1.57 . . . . 0.0 112.432 -173.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -52.39 -23.5 6.09 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 116.567 2.062 . . . . 0.0 116.567 -179.422 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 59.3 tptt -57.75 -36.79 72.58 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 125.768 1.627 . . . . 0.0 113.22 165.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -85.16 75.73 10.28 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-O 125.486 2.565 . . . . 0.0 110.525 175.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.68 -49.15 71.32 Favored 'General case' 0 CA--C 1.531 0.241 1 CA-C-N 107.86 -4.245 . . . . 0.0 114.804 -169.105 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 57.1 mtp -64.46 -35.3 80.5 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.647 0.779 . . . . 0.0 112.699 177.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 77.1 mt -81.39 -44.66 17.22 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-N 118.86 0.754 . . . . 0.0 112.882 -173.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.98 -26.67 66.03 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 118.759 -1.176 . . . . 0.0 113.004 165.511 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.7 tmtm? -67.48 -35.68 79.65 Favored 'General case' 0 CA--C 1.55 0.953 0 CA-C-N 122.021 2.191 . . . . 0.0 111.269 166.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 75.1 m -54.47 -42.38 70.59 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 122.255 2.298 . . . . 0.0 113.632 164.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -49.28 -55.83 11.43 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 122.908 0.483 . . . . 0.0 111.467 164.012 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.3 6.8 m-30 -73.22 -24.44 60.5 Favored 'General case' 0 CA--C 1.556 1.187 0 N-CA-C 114.155 1.168 . . . . 0.0 114.155 -173.496 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -60.26 -36.55 78.03 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.296 1.038 . . . . 0.0 113.381 160.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.95 -39.83 63.59 Favored Glycine 0 CA--C 1.532 1.109 0 CA-C-N 119.139 0.882 . . . . 0.0 115.016 167.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.52 -42.56 99.0 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 114.466 1.284 . . . . 0.0 114.466 177.11 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -73.46 66.8 1.0 Allowed 'General case' 0 CA--C 1.555 1.17 0 CA-C-N 120.183 1.356 . . . . 0.0 114.497 175.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 -71.39 54.48 0.21 Allowed 'General case' 0 CA--C 1.554 1.133 0 N-CA-C 117.485 2.402 . . . . 0.0 117.485 -178.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -69.41 -24.7 63.88 Favored 'General case' 0 CA--C 1.552 1.023 0 N-CA-C 115.545 1.684 . . . . 0.0 115.545 -176.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -72.22 -25.0 61.48 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 121.771 2.078 . . . . 0.0 114.46 175.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 58.51 -18.38 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 119.411 3.115 . . . . 0.0 119.411 -177.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.31 -113.84 0.0 OUTLIER 'General case' 0 CA--C 1.555 1.154 0 CA-C-N 122.996 2.634 . . . . 0.0 114.393 169.651 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 67.6 p -103.62 138.64 40.01 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 117.368 -3.332 . . . . 0.0 113.112 -178.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 41.0 t -64.12 -41.22 97.32 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 115.129 -0.941 . . . . 0.0 112.344 169.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.8 mp0 -69.02 -29.87 68.13 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 115.326 1.602 . . . . 0.0 115.326 -174.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -68.8 -52.1 33.82 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 122.981 2.628 . . . . 0.0 110.716 172.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.577 ' O ' HD13 ' A' ' 41' ' ' ILE . 20.1 ttt180 -46.16 -56.5 5.58 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.811 1.644 . . . . 0.0 111.936 168.045 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -84.61 -0.04 51.85 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 117.549 2.426 . . . . 0.0 117.549 176.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.44 -30.37 68.28 Favored 'General case' 0 CA--C 1.543 0.687 0 O-C-N 119.225 -2.172 . . . . 0.0 112.448 151.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 29.6 mmt180 -74.06 -42.49 60.14 Favored 'General case' 0 CA--C 1.55 0.976 0 N-CA-C 113.048 0.758 . . . . 0.0 113.048 168.362 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.577 HD13 ' O ' ' A' ' 37' ' ' ARG 0.297 3.5 mp -71.76 86.19 0.35 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.888 0 CA-C-O 127.12 3.343 . . . . 0.0 113.259 169.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.6 tppt? -86.25 -7.87 58.19 Favored 'General case' 0 CA--C 1.548 0.872 1 CA-C-N 106.912 -4.676 . . . . 0.0 115.684 -171.562 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 48.4 mm -58.72 -42.44 85.25 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.838 0 N-CA-C 115.691 1.737 . . . . 0.0 115.691 -158.052 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -175.48 161.82 30.97 Favored Glycine 0 CA--C 1.545 1.931 0 CA-C-O 117.712 -1.604 . . . . 0.0 115.822 176.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_exo -51.59 -50.92 12.39 Favored 'Trans proline' 0 C--N 1.362 1.246 1 C-N-CA 125.315 4.01 . . . . 0.0 116.288 178.659 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 45.0 mttm -63.92 -28.38 69.79 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 113.854 1.057 . . . . 0.0 113.854 172.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 38.8 t -68.53 -58.33 4.46 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-O 117.495 -1.241 . . . . 0.0 111.067 173.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -51.99 -41.23 31.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 CA-C-N 120.404 1.456 . . . . 0.0 114.892 171.134 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.1 mmpt? -63.19 -48.75 77.03 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 115.706 1.743 . . . . 0.0 115.706 172.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.33 -50.09 65.72 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 119.55 1.068 . . . . 0.0 110.789 169.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.428 ' CE2' HD11 ' A' ' 41' ' ' ILE . 2.4 t80 -55.35 -58.37 7.99 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.095 1.358 . . . . 0.0 112.443 177.538 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 20.6 tttm -63.58 -39.75 95.18 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.752 0.821 . . . . 0.0 112.957 -175.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -77.77 -36.2 50.81 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 120.828 -1.17 . . . . 0.0 114.119 178.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.2 m -58.27 -38.11 76.29 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-O 117.728 -1.13 . . . . 0.0 113.887 160.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 25.7 m -56.1 -44.54 79.17 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 121.227 1.83 . . . . 0.0 113.864 166.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 18.6 m-30 -59.93 -40.76 90.02 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 119.647 1.112 . . . . 0.0 113.252 172.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 27.1 mm -60.6 -50.78 79.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 CA-C-N 118.955 0.798 . . . . 0.0 112.726 169.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.38 -43.3 79.09 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 113.895 1.072 . . . . 0.0 113.895 174.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -64.93 -37.51 87.87 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 174.048 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 71.0 tp60 -62.83 -45.84 90.73 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 119.08 0.854 . . . . 0.0 112.496 169.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 69.0 t -60.34 -54.92 28.26 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.735 0 CA-C-O 117.691 -1.147 . . . . 0.0 113.189 175.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 16.7 ptt180 -64.51 -25.41 67.98 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 120.913 1.688 . . . . 0.0 114.799 -178.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.66 -30.02 68.63 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 113.51 0.93 . . . . 0.0 113.51 170.157 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -85.87 -53.51 5.06 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.534 0.734 . . . . 0.0 112.192 172.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -158.18 135.5 10.16 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 177.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . . . . . . . . 1 C--N 1.229 -4.652 0 O-C-N 121.795 -0.565 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.9 mtm . . . . . 0 CA--C 1.549 0.909 0 N-CA-C 113.533 0.938 . . . . 0.0 113.533 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 57.3 mt -71.52 -34.26 69.92 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-O 122.231 1.015 . . . . 0.0 113.387 -175.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 20.8 mp0 -62.42 -49.86 73.8 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 126.013 1.725 . . . . 0.0 113.032 -177.197 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.1 ptmm? -66.04 -29.23 69.55 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 115.662 -0.699 . . . . 0.0 112.579 175.12 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 17.6 mtpp -72.87 -31.9 65.03 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 114.921 1.452 . . . . 0.0 114.921 174.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.5 mt -57.6 -52.1 61.66 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.223 0 CA-C-N 120.498 1.499 . . . . 0.0 108.676 162.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -59.68 -39.79 85.7 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-O 117.607 -1.187 . . . . 0.0 112.826 178.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -63.91 -38.63 91.81 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 122.355 2.343 . . . . 0.0 115.121 171.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -83.46 -46.81 12.07 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 121.362 1.892 . . . . 0.0 113.258 175.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.19 4.64 5.37 Favored 'General case' 0 CA--C 1.555 1.145 0 N-CA-C 116.24 1.941 . . . . 0.0 116.24 166.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.88 -37.8 73.04 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 118.202 -2.811 . . . . 0.0 112.597 148.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 51.6 mttp -77.67 60.33 2.17 Favored 'General case' 0 CA--C 1.547 0.863 0 CA-C-O 122.812 1.292 . . . . 0.0 111.963 -175.267 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -65.38 -19.96 66.18 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 113.657 0.984 . . . . 0.0 113.657 172.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -64.08 -42.93 96.78 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 124.674 1.189 . . . . 0.0 112.225 163.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 -93.1 69.48 4.43 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-O 126.196 2.903 . . . . 0.0 110.097 177.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.9 -37.83 69.41 Favored 'General case' 0 CA--C 1.533 0.317 1 CA-C-N 107.382 -4.463 . . . . 0.0 114.517 -171.54 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 60.7 mtp -62.46 -37.09 84.57 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.117 0.967 . . . . 0.0 113.461 175.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 74.2 mt -85.48 -42.75 14.18 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 123.268 0.627 . . . . 0.0 112.079 -175.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.0 tmtt? -62.34 -36.87 83.57 Favored 'General case' 0 CA--C 1.554 1.103 0 CA-C-O 117.54 -1.219 . . . . 0.0 114.12 163.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.58 -25.6 63.14 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 123.882 3.037 . . . . 0.0 110.969 170.825 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.5 t -61.43 -39.46 90.86 Favored 'General case' 0 CA--C 1.552 1.035 0 CA-C-N 121.667 2.03 . . . . 0.0 112.98 166.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.3 t -49.07 -57.26 6.88 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.175 0.59 . . . . 0.0 110.971 159.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.296 6.0 m-30 -72.43 -19.19 61.63 Favored 'General case' 0 CA--C 1.557 1.239 0 N-CA-C 114.458 1.281 . . . . 0.0 114.458 -173.738 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -59.47 -47.73 84.37 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.463 1.105 . . . . 0.0 112.89 156.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.76 -37.77 92.91 Favored Glycine 0 N--CA 1.472 1.096 0 N-CA-C 115.124 0.81 . . . . 0.0 115.124 171.092 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.44 -47.05 80.55 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 118.063 0.932 . . . . 0.0 112.928 171.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -77.15 61.33 2.05 Favored 'General case' 0 CA--C 1.551 1.014 0 CA-C-O 122.829 1.299 . . . . 0.0 113.741 173.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 37.0 ttp180 -88.36 47.64 1.53 Allowed 'General case' 0 CA--C 1.553 1.074 0 CA-C-O 122.62 1.2 . . . . 0.0 112.269 178.027 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.97 -20.68 66.28 Favored 'General case' 0 CA--C 1.55 0.978 0 O-C-N 120.667 -1.27 . . . . 0.0 113.897 -172.348 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -65.27 -36.35 83.85 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 114.618 1.34 . . . . 0.0 114.618 168.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 50.28 39.49 20.15 Favored 'General case' 0 CA--C 1.551 1.015 0 N-CA-C 117.353 2.353 . . . . 0.0 117.353 -169.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -79.13 -171.11 2.51 Favored 'General case' 0 CA--C 1.555 1.143 0 O-C-N 119.999 -1.688 . . . . 0.0 112.235 162.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.0 p -75.35 115.85 15.45 Favored 'General case' 0 CA--C 1.542 0.665 0 O-C-N 119.197 -2.189 . . . . 0.0 110.932 168.181 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.3 p -62.65 -26.11 68.47 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 116.118 1.896 . . . . 0.0 116.118 -166.153 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.18 -25.18 65.11 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 113.536 0.939 . . . . 0.0 113.536 172.013 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -75.74 -45.91 33.89 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 120.773 1.624 . . . . 0.0 110.903 174.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.438 ' O ' HD13 ' A' ' 41' ' ' ILE . 67.0 ttt180 -57.19 -48.62 78.3 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.433 169.38 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . 0.296 . . -77.96 -10.04 59.39 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 117.369 2.359 . . . . 0.0 117.369 174.581 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.76 -34.76 78.6 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 121.205 1.82 . . . . 0.0 112.825 153.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.3 mpp_? -69.35 -43.19 74.14 Favored 'General case' 0 CA--C 1.552 1.045 0 N-CA-C 114.259 1.207 . . . . 0.0 114.259 165.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.438 HD13 ' O ' ' A' ' 37' ' ' ARG 0.26 2.4 mp -60.59 -56.11 19.95 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 N-CA-C 116.645 2.091 . . . . 0.0 116.645 169.66 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -11.05 68.56 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 130.626 3.57 . . . . 0.0 118.588 -173.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 65.3 mt -71.36 -42.36 73.8 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.738 0 CA-C-N 108.93 -3.759 . . . . 0.0 110.692 166.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -161.97 164.28 35.26 Favored Glycine 0 CA--C 1.545 1.966 0 N-CA-C 115.99 1.156 . . . . 0.0 115.99 179.092 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_exo -53.25 -46.77 31.45 Favored 'Trans proline' 0 C--N 1.361 1.2 0 C-N-CA 125.207 3.938 . . . . 0.0 115.669 174.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.0 mtpm? -64.02 -31.97 73.34 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 123.962 0.905 . . . . 0.0 113.193 174.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 21.6 t -66.11 -60.69 2.57 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-O 117.374 -1.298 . . . . 0.0 109.767 173.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -49.67 -39.29 14.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 CA-C-N 120.877 1.671 . . . . 0.0 115.105 171.405 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.5 tptp -64.68 -52.36 57.63 Favored 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 113.955 1.094 . . . . 0.0 113.955 173.065 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.38 -48.7 62.46 Favored 'General case' 0 CA--C 1.549 0.941 0 CA-C-N 120.02 1.282 . . . . 0.0 110.608 170.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.409 ' CE2' HD11 ' A' ' 41' ' ' ILE . 2.7 t80 -55.47 -52.53 63.32 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.83 1.252 . . . . 0.0 112.274 175.126 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 32.4 mmtt -60.82 -41.79 96.43 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 115.246 1.572 . . . . 0.0 115.246 178.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -68.97 -42.4 76.64 Favored 'General case' 0 CA--C 1.55 0.971 0 CA-C-O 121.773 0.797 . . . . 0.0 113.125 178.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 19.4 m -67.02 -29.3 69.08 Favored 'General case' 0 CA--C 1.555 1.159 0 N-CA-C 114.904 1.446 . . . . 0.0 114.904 166.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 45.7 t -58.8 -41.71 87.39 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-N 122.268 2.304 . . . . 0.0 112.647 165.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -54.86 -47.96 73.55 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-O 118.35 -0.833 . . . . 0.0 112.327 166.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 24.3 mm -57.03 -49.36 79.69 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.142 0 N-CA-C 114.98 1.474 . . . . 0.0 114.98 168.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.3 -43.56 71.22 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 113.723 1.009 . . . . 0.0 113.723 174.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -67.3 -36.49 81.62 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 113.512 0.931 . . . . 0.0 113.512 173.243 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -64.4 -42.66 95.97 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 120.205 1.366 . . . . 0.0 113.046 168.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.42 ' O ' ' HB2' ' A' ' 65' ' ' GLN . 76.5 t -60.35 -39.1 79.92 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.77 0 CA-C-N 119.187 0.903 . . . . 0.0 112.455 172.541 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 23.0 mmt180 -68.95 -36.89 78.46 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 115.508 1.67 . . . . 0.0 115.508 167.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.93 -47.81 64.81 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 121.319 1.872 . . . . 0.0 113.51 171.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -83.05 57.95 4.17 Favored 'General case' 0 CA--C 1.552 1.048 0 O-C-N 120.397 -1.439 . . . . 0.0 112.146 175.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.42 ' HB2' ' O ' ' A' ' 61' ' ' VAL . 13.9 tt0 -137.61 -51.79 0.63 Allowed 'General case' 0 CA--C 1.545 0.774 0 O-C-N 120.989 -1.069 . . . . 0.0 113.252 -174.765 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . . . . . . . . 1 C--N 1.233 -4.457 0 CA-C-N 119.858 1.208 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 33.8 mmt . . . . . 0 CA--C 1.545 0.774 0 N-CA-C 113.494 0.924 . . . . 0.0 113.494 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 63.2 mt -81.59 70.54 8.49 Favored 'General case' 0 CA--C 1.552 1.032 0 CA-C-O 123.596 1.665 . . . . 0.0 113.248 -172.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -61.23 -37.9 84.71 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 115.13 1.53 . . . . 0.0 115.13 -179.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 42.7 mmtt -62.55 -29.28 70.46 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 114.226 1.195 . . . . 0.0 114.226 168.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 64.3 mmtt -79.23 -37.66 37.54 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-O 116.773 -1.584 . . . . 0.0 114.626 176.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.6 pt -56.58 -43.2 77.99 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.247 0 CA-C-N 122.373 2.351 . . . . 0.0 111.348 163.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -58.42 -56.39 22.79 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-O 116.482 -1.723 . . . . 0.0 111.035 171.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -58.43 -31.07 67.4 Favored 'General case' 0 CA--C 1.554 1.097 0 CA-C-N 123.913 3.051 . . . . 0.0 116.003 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -82.7 -62.86 1.49 Allowed 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 121.801 2.091 . . . . 0.0 111.941 173.403 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.52 4.57 1.32 Allowed 'General case' 0 CA--C 1.556 1.193 0 N-CA-C 117.422 2.379 . . . . 0.0 117.422 172.144 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.96 -34.17 26.51 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 123.54 2.882 . . . . 0.0 115.22 155.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 34.2 mtmm -62.74 -45.07 94.43 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 114.474 1.287 . . . . 0.0 114.474 -170.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER 62.19 -22.86 0.05 OUTLIER 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 118.61 2.819 . . . . 0.0 118.61 165.581 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.9 mttp -61.59 -40.3 94.3 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.028 1.331 . . . . 0.0 109.797 160.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -89.13 58.95 4.74 Favored 'General case' 0 CA--C 1.548 0.901 0 CA-C-O 123.707 1.718 . . . . 0.0 111.741 169.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.73 -39.52 94.35 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 112.73 -2.032 . . . . 0.0 114.225 -177.344 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 55.3 ttp -64.34 -30.47 71.51 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.613 1.165 . . . . 0.0 112.682 174.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 58.0 mt -87.19 -39.77 15.18 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 121.609 -0.682 . . . . 0.0 111.653 -178.109 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.34 -42.96 61.62 Favored 'General case' 0 CA--C 1.556 1.193 0 N-CA-C 115.122 1.527 . . . . 0.0 115.122 153.518 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.41 -34.24 77.31 Favored 'General case' 0 CA--C 1.553 1.082 0 O-C-N 118.855 -2.403 . . . . 0.0 111.253 171.117 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 8.7 t -61.81 -38.21 87.28 Favored 'General case' 0 CA--C 1.552 1.039 0 CA-C-N 120.526 1.512 . . . . 0.0 113.959 168.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 2.1 t -47.37 -54.88 10.04 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.565 0.746 . . . . 0.0 110.353 158.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.427 ' O ' ' HD2' ' A' ' 27' ' ' TYR 0.295 6.5 m-30 -72.38 -20.35 61.46 Favored 'General case' 0 CA--C 1.553 1.062 0 N-CA-C 114.512 1.301 . . . . 0.0 114.512 -174.822 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -58.92 -46.85 86.94 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 119.414 1.006 . . . . 0.0 113.241 156.269 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.07 -40.88 99.14 Favored Glycine 0 CA--C 1.535 1.314 0 N-CA-C 115.2 0.84 . . . . 0.0 115.2 170.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.43 -41.81 93.13 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 113.732 1.012 . . . . 0.0 113.732 174.3 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.427 ' HD2' ' O ' ' A' ' 23' ' ' TYR . 51.7 m-85 -71.52 72.47 0.72 Allowed 'General case' 0 CA--C 1.549 0.932 0 CA-C-O 123.707 1.717 . . . . 0.0 113.243 170.846 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 58.6 ttt85 -83.05 113.52 20.65 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-N 113.587 -1.642 . . . . 0.0 112.394 172.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 12.5 p30 -85.87 -112.02 0.04 OUTLIER 'General case' 0 CA--C 1.553 1.08 0 N-CA-C 113.754 1.02 . . . . 0.0 113.754 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -78.26 44.68 0.51 Allowed 'General case' 0 CA--C 1.554 1.101 0 CA-C-N 122.726 2.512 . . . . 0.0 115.391 -174.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 51.7 60.11 4.08 Favored 'General case' 0 CA--C 1.552 1.054 0 N-CA-C 116.818 2.155 . . . . 0.0 116.818 -177.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -71.99 154.53 41.11 Favored 'General case' 0 CA--C 1.554 1.118 0 N-CA-C 115.343 1.609 . . . . 0.0 115.343 178.362 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 32.1 m -78.99 109.83 13.65 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 120.311 -1.493 . . . . 0.0 110.747 173.151 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 54.1 m -59.34 -42.86 92.47 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 116.649 2.092 . . . . 0.0 116.649 -163.443 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -77.82 -19.2 55.36 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 120.342 1.428 . . . . 0.0 114.121 177.421 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.0 tm-20 -75.03 -48.4 24.24 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 120.479 1.49 . . . . 0.0 109.851 167.223 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.526 ' O ' HD13 ' A' ' 41' ' ' ILE . 20.6 ttt180 -53.04 -49.99 65.18 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.93 1.292 . . . . 0.0 111.619 171.165 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -91.57 11.31 24.64 Favored 'General case' 0 CA--C 1.55 0.973 0 N-CA-C 116.699 2.111 . . . . 0.0 116.699 173.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.14 -34.1 65.89 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 119.015 -2.303 . . . . 0.0 112.192 144.525 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 28.2 mmt180 -69.28 -47.23 65.18 Favored 'General case' 0 CA--C 1.55 0.979 0 O-C-N 121.654 -0.654 . . . . 0.0 111.847 169.543 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.526 HD13 ' O ' ' A' ' 37' ' ' ARG . 3.4 mp -70.46 83.76 0.23 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.945 0 CA-C-O 127.224 3.393 . . . . 0.0 112.49 165.045 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.76 -4.79 58.87 Favored 'General case' 0 CA--C 1.548 0.892 1 CA-C-N 107.001 -4.636 . . . . 0.0 115.215 -169.62 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 63.1 mt -61.38 -36.97 76.49 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.949 0 N-CA-C 114.898 1.444 . . . . 0.0 114.898 -160.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -173.31 162.25 33.37 Favored Glycine 0 CA--C 1.547 2.034 0 CA-C-N 120.606 1.548 . . . . 0.0 116.568 174.362 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_exo -53.17 -48.67 20.82 Favored 'Trans proline' 0 C--N 1.361 1.229 0 C-N-CA 125.138 3.892 . . . . 0.0 115.52 173.495 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 32.5 mmtt -66.44 -25.34 66.7 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 114.038 1.125 . . . . 0.0 114.038 172.551 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 11.1 t -67.22 -60.2 2.8 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 117.232 -1.366 . . . . 0.0 109.266 171.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -48.7 -42.72 13.34 Favored 'Isoleucine or valine' 0 C--N 1.353 0.741 0 CA-C-N 120.734 1.607 . . . . 0.0 114.993 170.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.63 -54.25 45.38 Favored 'General case' 0 CA--C 1.555 1.151 0 N-CA-C 114.771 1.397 . . . . 0.0 114.771 175.062 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.21 -47.12 72.47 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.772 1.229 . . . . 0.0 110.848 169.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.447 ' CE2' HD11 ' A' ' 41' ' ' ILE . 4.0 t80 -55.5 -53.41 56.71 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.385 1.474 . . . . 0.0 112.699 176.594 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 52.2 tptt -64.47 -37.7 88.45 Favored 'General case' 0 CA--C 1.55 0.952 0 CA-C-N 118.962 0.801 . . . . 0.0 113.046 179.296 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -61.91 -50.52 71.84 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 119.838 1.199 . . . . 0.0 113.328 172.3 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 2.7 m -60.43 -30.99 69.98 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 115.237 1.569 . . . . 0.0 115.237 168.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 53.9 t -58.33 -44.85 88.87 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 122.034 2.197 . . . . 0.0 112.622 165.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -57.83 -41.51 82.43 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 113.939 1.089 . . . . 0.0 113.939 169.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.0 mp -64.77 -42.83 96.04 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 N-CA-C 114.859 1.429 . . . . 0.0 114.859 168.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.1 -44.89 79.5 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 123.938 0.895 . . . . 0.0 112.984 171.42 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -61.9 -42.54 99.19 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.106 0.962 . . . . 0.0 113.305 169.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -60.03 -54.16 49.29 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-O 118.164 -0.922 . . . . 0.0 113.347 172.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 4.5 p -68.61 -22.87 27.28 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.959 0 CA-C-N 120.362 1.437 . . . . 0.0 113.47 179.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.45 -45.3 94.84 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 120.886 -1.134 . . . . 0.0 112.658 166.064 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -84.65 -53.74 5.18 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 114.01 1.115 . . . . 0.0 114.01 177.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -80.8 68.22 6.96 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-O 123.383 1.563 . . . . 0.0 112.52 -175.275 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -90.98 130.98 36.85 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 114.582 -1.19 . . . . 0.0 113.745 175.173 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . . . . . . . . 1 C--N 1.23 -4.598 0 CA-C-N 117.942 0.337 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.8 mtp . . . . . 0 CA--C 1.545 0.771 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 37.4 mt 55.8 -84.07 0.01 OUTLIER 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 126.703 2.001 . . . . 0.0 114.472 176.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -65.98 -46.1 79.25 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.299 1.44 . . . . 0.0 111.343 -179.025 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 60.0 mtmt -63.12 -25.64 68.45 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 113.524 0.935 . . . . 0.0 113.524 172.589 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 12.7 tptp -71.31 -44.32 65.38 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.212 1.005 . . . . 0.0 112.975 176.048 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.7 mp -58.28 -49.99 79.99 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.357 0 CA-C-N 119.877 1.217 . . . . 0.0 109.748 166.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -60.71 -50.19 74.5 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 115.155 -2.355 . . . . 0.0 113.815 -178.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . 0.267 0.1 OUTLIER -71.66 -17.55 62.24 Favored 'General case' 0 CA--C 1.545 0.762 1 CA-C-N 126.004 4.002 . . . . 0.0 114.516 175.606 . . . . . . . . 4 3 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -78.91 -67.13 0.78 Allowed 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 122.216 2.28 . . . . 0.0 112.146 164.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.35 -6.66 31.22 Favored 'General case' 0 CA--C 1.551 0.999 0 N-CA-C 118.448 2.758 . . . . 0.0 118.448 178.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.62 -46.14 19.96 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 124.941 3.519 . . . . 0.0 112.199 156.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 46.5 mmtm -85.0 68.35 10.53 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-O 123.3 1.524 . . . . 0.0 111.0 -175.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -52.58 -10.61 0.16 Allowed 'General case' 0 CA--C 1.55 0.961 0 N-CA-C 116.451 2.019 . . . . 0.0 116.451 175.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -59.98 -31.0 69.5 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.476 1.11 . . . . 0.0 112.81 161.38 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 16.8 m-30 -82.79 59.04 4.59 Favored 'General case' 0 CA--C 1.549 0.941 0 CA-C-O 122.901 1.334 . . . . 0.0 110.361 172.155 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.23 -51.69 67.18 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 115.885 1.809 . . . . 0.0 115.885 -164.564 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 34.7 ttm -66.99 -32.71 74.12 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.418 1.087 . . . . 0.0 112.671 176.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 69.4 mt -82.37 -37.79 25.11 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.482 0.713 . . . . 0.0 112.524 -175.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -69.59 -29.45 66.99 Favored 'General case' 0 CA--C 1.546 0.804 0 O-C-N 120.742 -1.224 . . . . 0.0 112.084 164.441 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 47.5 tttm -65.76 -33.84 76.8 Favored 'General case' 0 CA--C 1.551 0.992 0 CA-C-N 121.784 2.084 . . . . 0.0 111.176 166.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.2 t -60.63 -40.54 92.31 Favored 'General case' 0 CA--C 1.553 1.072 0 CA-C-N 120.391 1.45 . . . . 0.0 113.229 167.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -48.77 -55.98 9.95 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.772 0.829 . . . . 0.0 111.58 160.376 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.281 10.0 m-30 -73.64 -22.43 59.99 Favored 'General case' 0 CA--C 1.551 0.994 0 N-CA-C 115.004 1.483 . . . . 0.0 115.004 -173.308 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -58.04 -49.25 77.52 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.607 1.163 . . . . 0.0 111.025 158.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.19 -33.63 87.43 Favored Glycine 0 CA--C 1.534 1.254 0 N-CA-C 116.199 1.24 . . . . 0.0 116.199 171.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.01 -38.59 89.21 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 118.84 1.32 . . . . 0.0 112.66 169.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -72.18 74.71 0.96 Allowed 'General case' 0 CA--C 1.556 1.204 0 CA-C-O 122.837 1.304 . . . . 0.0 111.482 164.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.88 129.54 36.35 Favored 'General case' 0 CA--C 1.549 0.91 0 O-C-N 120.381 -1.45 . . . . 0.0 113.173 176.468 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -86.87 140.36 29.73 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 123.987 0.915 . . . . 0.0 112.762 -178.286 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -64.77 -29.62 70.6 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 115.07 1.507 . . . . 0.0 115.07 176.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -92.2 -59.3 2.13 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.071 0.948 . . . . 0.0 111.82 -172.254 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -77.15 157.6 30.88 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-O 122.536 1.16 . . . . 0.0 113.932 173.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.7 t -95.91 156.67 16.23 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 121.063 -1.023 . . . . 0.0 111.003 159.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 90.4 m -58.53 -37.92 76.65 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 115.269 1.581 . . . . 0.0 115.269 -166.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.5 mp0 -68.41 -48.12 65.47 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.645 1.178 . . . . 0.0 114.116 -169.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.2 mp0 -67.23 -43.87 80.91 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.134 0.974 . . . . 0.0 112.666 176.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.487 ' O ' HD13 ' A' ' 41' ' ' ILE . 41.3 ttt180 -56.45 -48.53 76.86 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 114.933 -1.031 . . . . 0.0 111.715 169.308 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -76.97 -18.02 58.51 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 117.479 2.4 . . . . 0.0 117.479 175.369 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.99 -31.52 71.89 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-N 120.784 1.629 . . . . 0.0 112.882 158.502 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 43.2 ttp180 -74.27 -45.58 46.87 Favored 'General case' 0 CA--C 1.556 1.173 0 CA-C-O 117.511 -1.233 . . . . 0.0 113.897 165.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.487 HD13 ' O ' ' A' ' 37' ' ' ARG . 2.0 mp -54.57 -52.82 36.97 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.195 0 CA-C-N 122.521 2.419 . . . . 0.0 115.928 168.016 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.8 ttpm? -9.47 69.89 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 130.518 3.527 . . . . 0.0 118.138 177.528 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 41' ' ' ILE . 66.8 mt -73.52 -42.1 56.05 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.676 1 CA-C-N 108.045 -4.161 . . . . 0.0 110.039 163.177 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -157.14 158.93 29.29 Favored Glycine 0 CA--C 1.545 1.959 0 CA-C-O 118.194 -1.337 . . . . 0.0 115.339 178.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -52.19 -44.58 45.09 Favored 'Trans proline' 0 C--N 1.361 1.188 0 C-N-CA 125.065 3.843 . . . . 0.0 115.55 172.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 28.9 tttm -66.83 -30.81 71.09 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 123.966 0.906 . . . . 0.0 112.255 176.418 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 35.8 t -66.64 -60.93 2.27 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-O 117.294 -1.336 . . . . 0.0 110.107 172.269 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -48.29 -39.85 9.64 Favored 'Isoleucine or valine' 0 C--N 1.353 0.752 0 CA-C-N 120.954 1.707 . . . . 0.0 114.85 172.245 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.4 tptp -70.76 -46.38 63.06 Favored 'General case' 0 CA--C 1.554 1.124 0 CA-C-O 117.092 -1.433 . . . . 0.0 114.656 174.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -49.42 -49.21 45.99 Favored 'General case' 0 N--CA 1.485 1.294 0 CA-C-N 122.689 2.495 . . . . 0.0 110.539 164.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.423 ' CE2' HD11 ' A' ' 41' ' ' ILE . 3.3 t80 -55.76 -57.5 11.77 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.24 1.416 . . . . 0.0 112.658 176.223 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 54.2 tptt -62.52 -37.67 86.98 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 113.799 1.037 . . . . 0.0 113.799 -179.392 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -73.99 -38.52 64.1 Favored 'General case' 0 CA--C 1.547 0.848 0 O-C-N 120.6 -1.312 . . . . 0.0 113.764 176.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.6 m -63.77 -32.68 74.26 Favored 'General case' 0 CA--C 1.549 0.935 0 O-C-N 120.632 -1.292 . . . . 0.0 114.35 163.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 50.3 t -58.79 -40.69 84.76 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-N 120.785 1.63 . . . . 0.0 112.955 166.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -56.44 -47.97 78.01 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-O 117.677 -1.154 . . . . 0.0 112.63 166.574 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 34.9 mm -56.2 -51.4 63.26 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 CA-C-N 120.477 1.489 . . . . 0.0 113.72 169.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.43 -48.21 74.77 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 114.313 1.227 . . . . 0.0 114.313 177.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 66.8 m-80 -70.23 -30.41 67.48 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 114.033 1.123 . . . . 0.0 114.033 174.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -62.4 -48.62 78.93 Favored 'General case' 0 CA--C 1.547 0.847 0 CA-C-N 119.623 1.101 . . . . 0.0 112.195 167.125 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 97.0 t -63.5 -34.49 67.79 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.892 0 C-N-CA 123.88 0.872 . . . . 0.0 112.749 173.077 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -62.22 -55.72 25.71 Favored 'General case' 0 CA--C 1.547 0.863 0 O-C-N 120.834 -1.166 . . . . 0.0 112.489 168.049 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.99 -21.39 66.84 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 115.234 1.568 . . . . 0.0 115.234 179.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -61.98 -26.83 68.45 Favored 'General case' 0 CA--C 1.55 0.951 0 N-CA-C 113.998 1.11 . . . . 0.0 113.998 165.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -98.0 -48.67 5.05 Favored 'General case' 0 CA--C 1.546 0.795 0 O-C-N 120.458 -1.401 . . . . 0.0 114.335 -175.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . . . . . . . . 1 C--N 1.233 -4.488 0 CA-C-N 120.204 1.365 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.4 mtp . . . . . 0 CA--C 1.545 0.77 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.431 ' O ' HD13 ' A' ' 6' ' ' ILE . 84.1 mt -131.32 134.47 46.38 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-O 123.37 1.557 . . . . 0.0 114.742 -168.784 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -56.15 -37.22 69.23 Favored 'General case' 0 CA--C 1.55 0.959 0 CA-C-N 112.737 -2.029 . . . . 0.0 112.487 173.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 20.4 tptt -59.11 -38.23 79.08 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 125.409 1.483 . . . . 0.0 113.875 169.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -71.95 -38.01 69.88 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 120.493 -1.379 . . . . 0.0 113.382 176.599 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.431 HD13 ' O ' ' A' ' 2' ' ' LEU . 4.7 mp -58.82 -47.72 88.44 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.293 0 CA-C-N 120.07 1.305 . . . . 0.0 110.377 166.558 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -53.76 -58.06 8.61 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-O 117.304 -1.332 . . . . 0.0 111.253 173.489 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -71.45 -7.83 49.94 Favored 'General case' 0 CA--C 1.555 1.147 0 CA-C-N 123.541 2.882 . . . . 0.0 115.124 -175.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -86.85 -69.41 0.68 Allowed 'General case' 0 CA--C 1.548 0.882 0 O-C-N 119.555 -1.966 . . . . 0.0 111.792 156.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.46 0.95 5.67 Favored 'General case' 0 CA--C 1.557 1.22 0 N-CA-C 118.622 2.823 . . . . 0.0 118.622 -178.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.39 -35.3 27.83 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 117.569 -3.207 . . . . 0.0 113.734 159.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 39.8 mmtm -72.12 -41.63 67.0 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 114.513 1.301 . . . . 0.0 114.513 -171.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 62.09 -26.96 0.06 Allowed 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 117.467 2.395 . . . . 0.0 117.467 173.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.3 mtmm -60.06 -36.78 78.09 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.885 1.674 . . . . 0.0 112.514 166.059 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -77.01 62.33 2.13 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-O 123.156 1.455 . . . . 0.0 111.739 167.193 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.15 -50.8 72.64 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 112.825 -1.989 . . . . 0.0 115.432 -167.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 32.6 ttm -65.64 -29.82 70.44 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.938 0.895 . . . . 0.0 112.494 177.124 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 56.3 mt -85.52 -41.69 15.09 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.787 0.835 . . . . 0.0 112.097 -174.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.62 -28.2 69.46 Favored 'General case' 0 CA--C 1.548 0.894 0 O-C-N 120.338 -1.476 . . . . 0.0 112.626 162.295 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.4 tmtm? -65.7 -36.82 84.73 Favored 'General case' 0 CA--C 1.552 1.025 0 CA-C-N 121.786 2.085 . . . . 0.0 111.56 166.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 97.3 m -54.34 -41.98 69.71 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 121.838 2.108 . . . . 0.0 114.022 164.434 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -50.01 -54.46 20.0 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.243 0.617 . . . . 0.0 111.594 164.042 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.264 5.7 m-30 -73.47 -21.43 60.44 Favored 'General case' 0 CA--C 1.55 0.972 0 N-CA-C 113.858 1.059 . . . . 0.0 113.858 -175.225 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -60.59 -43.4 97.43 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 119.15 0.886 . . . . 0.0 113.123 159.225 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.15 -40.92 95.14 Favored Glycine 0 CA--C 1.535 1.335 0 CA-C-O 119.088 -0.84 . . . . 0.0 115.141 171.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.49 -48.48 69.69 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 118.609 1.205 . . . . 0.0 113.763 175.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -80.32 55.46 2.24 Favored 'General case' 0 CA--C 1.549 0.933 0 CA-C-O 122.999 1.38 . . . . 0.0 112.494 174.505 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 58.7 ttp180 -75.02 120.05 20.02 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 114.989 -1.005 . . . . 0.0 112.174 178.27 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 21.1 m120 -68.86 101.53 1.37 Allowed 'General case' 0 CA--C 1.546 0.805 0 CA-C-O 121.898 0.856 . . . . 0.0 110.607 163.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -69.25 64.06 0.15 Allowed 'General case' 0 CA--C 1.548 0.873 0 CA-C-O 123.638 1.685 . . . . 0.0 115.135 -172.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -123.94 -73.43 0.64 Allowed 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 113.531 -1.668 . . . . 0.0 111.694 173.379 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 52.6 tt0 -75.2 152.47 38.37 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 124.421 1.089 . . . . 0.0 113.391 168.011 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.1 p -74.57 141.66 44.75 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 121.052 -1.03 . . . . 0.0 113.084 172.188 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 31.5 p -64.54 -31.03 72.08 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 116.004 1.853 . . . . 0.0 116.004 -164.556 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -69.03 -28.84 66.93 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 114.731 1.382 . . . . 0.0 114.731 179.379 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.1 mp0 -72.24 -45.48 60.04 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 120.383 1.447 . . . . 0.0 111.671 172.484 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.524 ' O ' HD13 ' A' ' 41' ' ' ILE . 35.9 ttm180 -60.52 -47.89 84.16 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 113.764 -1.562 . . . . 0.0 111.355 173.14 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -80.08 -2.46 44.48 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 116.604 2.076 . . . . 0.0 116.604 171.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.68 -30.14 67.74 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 119.407 -2.058 . . . . 0.0 112.66 151.345 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -75.17 -39.21 60.47 Favored 'General case' 0 CA--C 1.549 0.92 0 O-C-N 120.362 -1.461 . . . . 0.0 114.715 162.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.524 HD13 ' O ' ' A' ' 37' ' ' ARG 0.305 3.2 mp -69.81 82.4 0.18 Allowed 'Isoleucine or valine' 0 CA--C 1.552 1.037 0 CA-C-O 127.105 3.336 . . . . 0.0 113.705 168.379 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 55.2 mttp -95.38 16.83 15.81 Favored 'General case' 0 CA--C 1.547 0.831 1 CA-C-N 107.646 -4.343 . . . . 0.0 115.652 -176.53 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 82.5 mt -64.41 -36.85 78.41 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.917 0 CA-C-N 119.803 1.183 . . . . 0.0 113.249 -172.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -178.58 163.1 30.75 Favored Glycine 0 CA--C 1.545 1.909 0 CA-C-O 118.28 -1.289 . . . . 0.0 115.452 171.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo -52.51 -44.94 43.35 Favored 'Trans proline' 0 C--N 1.36 1.177 0 C-N-CA 124.983 3.789 . . . . 0.0 115.489 172.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 51.0 tttm -68.81 -27.86 66.24 Favored 'General case' 0 CA--C 1.55 0.981 0 C-N-CA 124.235 1.014 . . . . 0.0 112.413 176.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 37.9 t -68.56 -56.71 7.39 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-O 117.332 -1.318 . . . . 0.0 111.685 170.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -52.11 -38.72 24.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 CA-C-N 121.244 1.838 . . . . 0.0 115.213 170.18 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 58.3 tttm -55.06 -59.71 4.38 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 123.75 0.82 . . . . 0.0 113.147 168.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.33 -48.85 65.23 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 124.4 1.08 . . . . 0.0 111.786 172.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.43 ' CE2' HD11 ' A' ' 41' ' ' ILE . 2.5 t80 -57.06 -54.2 49.45 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.957 1.303 . . . . 0.0 112.807 177.308 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.439 ' O ' ' HD1' ' A' ' 56' ' ' TYR . 12.0 mmtt -64.51 -41.3 96.5 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 -179.417 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -65.97 -43.66 87.2 Favored 'General case' 0 CA--C 1.547 0.848 0 O-C-N 121.686 -0.634 . . . . 0.0 112.641 175.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 6.8 m -66.79 -25.75 66.61 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 115.585 1.698 . . . . 0.0 115.585 167.118 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 41.9 t -60.32 -38.21 82.99 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 122.542 2.428 . . . . 0.0 112.01 163.257 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.439 ' HD1' ' O ' ' A' ' 52' ' ' LYS . 36.5 m-85 -61.03 -41.69 97.05 Favored 'General case' 0 CA--C 1.546 0.804 0 O-C-N 121.05 -1.032 . . . . 0.0 113.239 166.447 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 25.2 mm -58.44 -45.28 89.94 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 CA-C-N 120.509 1.504 . . . . 0.0 114.269 166.512 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.534 ' O ' ' HG2' ' A' ' 62' ' ' ARG . . . -51.18 -50.45 58.98 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.17 0.588 . . . . 0.0 112.126 172.604 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -61.21 -45.62 93.8 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 172.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -57.91 -42.43 84.69 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 124.685 1.194 . . . . 0.0 112.93 174.471 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 78.5 t -66.78 -53.02 38.76 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 CA-C-O 117.275 -1.345 . . . . 0.0 112.593 170.371 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.534 ' HG2' ' O ' ' A' ' 58' ' ' ALA . 68.6 mmt-85 -64.51 -27.88 69.28 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 121.633 2.015 . . . . 0.0 114.364 -177.246 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.31 -28.74 66.52 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 119.632 1.105 . . . . 0.0 113.907 168.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -89.05 -47.46 8.1 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 123.96 0.904 . . . . 0.0 112.209 175.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -140.7 -48.15 0.42 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.87 -1.144 . . . . 0.0 113.352 -178.452 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . . . . . . . . 1 C--N 1.234 -4.452 0 CA-C-N 120.388 1.449 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.0 mmm . . . . . 0 CA--C 1.543 0.688 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 85.3 mt -124.03 116.37 22.72 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-O 123.174 1.464 . . . . 0.0 113.98 -171.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 21.7 mp0 -60.35 -34.96 74.59 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 114.082 -1.417 . . . . 0.0 113.565 170.4 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -59.63 -36.27 76.03 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.437 1.095 . . . . 0.0 112.943 170.19 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 61.3 mmtt -78.77 -29.04 44.83 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-O 116.568 -1.682 . . . . 0.0 114.87 173.022 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 10.6 mt -57.9 -45.4 87.59 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 CA-C-N 122.893 2.588 . . . . 0.0 109.226 162.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -59.55 -63.17 1.4 Allowed 'General case' 0 C--O 1.218 -0.598 0 CA-C-O 116.599 -1.667 . . . . 0.0 111.236 172.216 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -63.05 -24.41 67.9 Favored 'General case' 0 CA--C 1.556 1.205 0 CA-C-N 124.906 3.503 . . . . 0.0 115.001 -175.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -83.58 -62.81 1.48 Allowed 'General case' 0 CA--C 1.547 0.847 0 O-C-N 119.609 -1.932 . . . . 0.0 111.957 169.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -79.61 17.69 0.85 Allowed 'General case' 0 CA--C 1.558 1.263 0 N-CA-C 118.571 2.804 . . . . 0.0 118.571 172.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -84.57 -53.9 5.09 Favored 'General case' 0 N--CA 1.473 0.719 0 O-C-N 117.439 -3.288 . . . . 0.0 114.893 159.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.7 mttp -70.93 -27.92 64.12 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 114.467 1.284 . . . . 0.0 114.467 -166.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 61.46 -14.84 0.04 OUTLIER 'General case' 0 CA--C 1.552 1.023 0 N-CA-C 117.344 2.35 . . . . 0.0 117.344 171.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -55.26 -51.31 67.05 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.957 1.703 . . . . 0.0 112.991 169.367 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -80.43 66.63 6.0 Favored 'General case' 0 CA--C 1.552 1.032 0 CA-C-O 125.188 2.423 . . . . 0.0 112.07 167.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.68 -39.98 78.38 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 109.716 -3.402 . . . . 0.0 115.184 -174.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 59.1 mtp -66.17 -31.82 72.89 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 176.458 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 69.0 mt -85.88 -41.96 14.53 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.665 0.786 . . . . 0.0 111.843 -176.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.6 tmtt? -56.16 -39.03 71.71 Favored 'General case' 0 CA--C 1.556 1.199 0 N-CA-C 114.554 1.316 . . . . 0.0 114.554 156.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.7 tmtm? -66.72 -31.41 72.04 Favored 'General case' 0 CA--C 1.551 0.983 0 O-C-N 118.752 -2.468 . . . . 0.0 111.767 172.467 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.1 t -62.95 -37.3 86.51 Favored 'General case' 0 CA--C 1.553 1.089 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 166.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.3 t -46.85 -55.49 7.88 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 118.972 0.805 . . . . 0.0 110.503 158.234 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.319 5.8 m-30 -71.09 -23.18 62.07 Favored 'General case' 0 CA--C 1.556 1.202 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 -175.042 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -56.66 -44.57 81.51 Favored 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 114.63 1.344 . . . . 0.0 114.63 157.389 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.9 -45.41 93.67 Favored Glycine 0 CA--C 1.534 1.275 0 CA-C-O 119.678 -0.512 . . . . 0.0 114.227 168.057 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.17 -50.58 67.59 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 115.035 1.494 . . . . 0.0 115.035 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . 0.348 2.2 p90 -76.76 63.93 2.25 Favored 'General case' 0 CA--C 1.554 1.104 0 CA-C-N 122.901 2.591 . . . . 0.0 114.466 177.765 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 54.8 ttt-85 -92.19 131.9 37.07 Favored 'General case' 0 CA--C 1.549 0.926 0 O-C-N 121.276 -0.89 . . . . 0.0 113.058 177.006 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -105.17 143.69 33.0 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 123.758 0.823 . . . . 0.0 112.095 168.172 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -72.46 69.44 0.84 Allowed 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 115.859 1.8 . . . . 0.0 115.859 -174.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -136.61 -65.11 0.57 Allowed 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 112.557 -2.11 . . . . 0.0 111.906 168.578 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -71.98 161.61 30.67 Favored 'General case' 0 CA--C 1.551 1.008 0 N-CA-C 114.436 1.273 . . . . 0.0 114.436 171.325 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 13.5 t -112.64 148.94 33.56 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 119.933 -1.729 . . . . 0.0 111.982 170.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 41.5 t -55.72 -50.95 68.96 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 114.916 1.45 . . . . 0.0 114.916 -162.371 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -76.72 -23.46 53.09 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 113.794 1.035 . . . . 0.0 113.794 -177.747 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -72.39 -49.35 34.55 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.0 0.92 . . . . 0.0 110.888 167.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.554 ' O ' HD13 ' A' ' 41' ' ' ILE . 29.3 ttp85 -57.33 -47.32 81.88 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.258 172.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -88.24 5.81 39.87 Favored 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 117.202 2.297 . . . . 0.0 117.202 173.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.23 -35.62 73.98 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 119.176 -2.203 . . . . 0.0 111.895 147.055 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 32.9 mtp180 -71.07 -43.01 68.63 Favored 'General case' 0 CA--C 1.552 1.023 0 N-CA-C 114.101 1.149 . . . . 0.0 114.101 169.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.554 HD13 ' O ' ' A' ' 37' ' ' ARG 0.262 3.4 mp -70.58 87.29 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.961 0 CA-C-O 126.833 3.206 . . . . 0.0 113.153 165.472 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 33.9 mtmm -86.51 -6.56 58.86 Favored 'General case' 0 CA--C 1.544 0.719 1 CA-C-N 107.565 -4.379 . . . . 0.0 116.34 -174.542 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 46.5 mm -61.14 -36.7 74.36 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.858 0 N-CA-C 115.236 1.569 . . . . 0.0 115.236 -158.352 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -171.42 160.19 32.19 Favored Glycine 0 CA--C 1.545 1.95 0 CA-C-N 120.256 1.389 . . . . 0.0 115.856 175.434 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_exo -52.83 -49.77 16.39 Favored 'Trans proline' 0 C--N 1.361 1.235 0 C-N-CA 124.989 3.792 . . . . 0.0 115.243 173.363 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 48.2 mtpt -64.0 -27.68 69.29 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 113.589 0.959 . . . . 0.0 113.589 171.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 6.4 t -66.62 -59.93 3.16 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-O 117.345 -1.312 . . . . 0.0 109.113 174.33 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -50.71 -42.87 23.25 Favored 'Isoleucine or valine' 0 C--N 1.353 0.729 0 CA-C-N 120.585 1.539 . . . . 0.0 115.124 172.13 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.92 -56.81 17.43 Favored 'General case' 0 CA--C 1.551 0.998 0 N-CA-C 115.045 1.498 . . . . 0.0 115.045 174.728 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.89 -46.83 74.86 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.367 1.067 . . . . 0.0 110.93 171.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.432 ' CE2' HD11 ' A' ' 41' ' ' ILE . 3.1 t80 -53.8 -55.29 27.8 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.19 1.396 . . . . 0.0 112.445 176.338 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.0 tmtm? -64.3 -40.0 95.05 Favored 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 113.923 1.083 . . . . 0.0 113.923 -178.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 -67.18 -41.2 86.29 Favored 'General case' 0 CA--C 1.551 1.002 0 O-C-N 120.772 -1.205 . . . . 0.0 114.054 173.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 6.1 m -65.08 -29.94 70.85 Favored 'General case' 0 CA--C 1.55 0.951 0 N-CA-C 115.068 1.507 . . . . 0.0 115.068 167.122 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 60.9 m -58.67 -38.31 77.9 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 121.961 2.164 . . . . 0.0 113.121 162.151 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -60.09 -43.57 95.44 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-O 116.148 -1.882 . . . . 0.0 113.413 168.383 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.504 2.2 pp -69.15 -29.6 43.37 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 CA-C-N 123.767 2.985 . . . . 0.0 115.736 167.827 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.98 -41.39 78.31 Favored 'General case' 0 CA--C 1.549 0.929 0 CA-C-N 122.097 2.226 . . . . 0.0 112.901 168.191 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -68.06 -42.13 80.95 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 168.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.749 HE21 ' N ' ' A' ' 66' ' ' SER . 36.8 mt-30 -64.17 -28.67 69.92 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 120.886 1.675 . . . . 0.0 114.363 171.284 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 77.7 t -62.55 -51.08 76.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 CA-C-N 120.78 1.627 . . . . 0.0 111.609 164.029 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 77.2 mtt85 -60.16 -41.05 91.97 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 114.973 1.471 . . . . 0.0 114.973 175.134 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -84.42 7.09 20.85 Favored 'General case' 0 CA--C 1.55 0.975 0 N-CA-C 114.875 1.435 . . . . 0.0 114.875 173.247 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 63.8 -44.25 0.26 Allowed 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 126.963 2.105 . . . . 0.0 115.297 -179.31 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -99.03 129.35 45.31 Favored 'General case' 0 CA--C 1.547 0.843 0 O-C-N 120.947 -1.096 . . . . 0.0 112.906 172.361 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.749 ' N ' HE21 ' A' ' 60' ' ' GLN . . . . . . . . 1 C--N 1.231 -4.55 0 O-C-N 121.347 -0.846 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 30.5 ttp . . . . . 0 CA--C 1.547 0.831 0 N-CA-C 113.052 0.76 . . . . 0.0 113.052 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 76.6 mt -82.05 43.25 0.77 Allowed 'General case' 0 CA--C 1.557 1.213 0 O-C-N 119.935 -1.728 . . . . 0.0 115.351 -175.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -62.86 -36.85 84.61 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.485 1.114 . . . . 0.0 113.383 178.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 57.2 mtmt -61.08 -28.55 69.16 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 113.982 1.104 . . . . 0.0 113.982 169.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 15.3 tptp -78.23 -36.4 47.09 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 121.016 -1.052 . . . . 0.0 112.43 177.303 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 10.3 mt -53.47 -53.31 25.49 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.226 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 163.592 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.499 ' O ' ' HB1' ' A' ' 11' ' ' ALA . 47.3 mt-10 -62.64 -22.22 66.26 Favored 'General case' 0 CA--C 1.541 0.635 0 CA-C-O 117.228 -1.368 . . . . 0.0 114.128 178.471 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -71.46 -40.48 70.28 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-N 123.134 2.697 . . . . 0.0 113.52 168.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.407 ' OE2' ' HG3' ' A' ' 49' ' ' LYS . 11.7 mm-40 -83.14 -55.1 4.55 Favored 'General case' 0 N--CA 1.48 1.064 0 O-C-N 120.342 -1.474 . . . . 0.0 113.899 174.785 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.72 9.09 0.2 Allowed 'General case' 0 CA--C 1.557 1.237 0 N-CA-C 116.275 1.954 . . . . 0.0 116.275 164.036 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.499 ' HB1' ' O ' ' A' ' 7' ' ' GLU . . . -66.42 -41.79 88.7 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 118.475 -2.64 . . . . 0.0 112.916 147.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 47.1 mttp -80.64 57.44 2.94 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-O 122.451 1.119 . . . . 0.0 111.195 -168.496 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -65.92 -14.85 62.29 Favored 'General case' 0 CA--C 1.547 0.827 0 N-CA-C 114.705 1.372 . . . . 0.0 114.705 178.141 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.4 pttt -63.55 -34.19 77.25 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 159.083 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -101.51 72.53 1.41 Allowed 'General case' 0 CA--C 1.546 0.793 0 CA-C-O 124.966 2.317 . . . . 0.0 109.124 176.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.18 -43.46 74.36 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 109.278 -3.601 . . . . 0.0 114.352 -173.133 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 11.2 tpt -65.85 -32.57 74.16 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.604 0.761 . . . . 0.0 112.409 176.382 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 70.1 mt -83.13 -44.0 15.59 Favored 'General case' 0 CA--C 1.536 0.422 0 O-C-N 121.192 -0.942 . . . . 0.0 111.832 -175.204 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.66 -32.36 70.4 Favored 'General case' 0 CA--C 1.555 1.155 0 O-C-N 120.438 -1.414 . . . . 0.0 113.84 159.631 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -64.86 -31.94 73.4 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 123.835 3.016 . . . . 0.0 112.971 167.211 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 90.0 m -58.87 -38.44 78.81 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-N 121.511 1.96 . . . . 0.0 113.648 163.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . 0.267 0.1 OUTLIER -50.78 -49.62 57.9 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-N 118.839 0.745 . . . . 0.0 111.963 161.398 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.441 ' O ' ' HD1' ' A' ' 27' ' ' TYR 0.25 3.8 m-30 -73.83 -29.11 61.95 Favored 'General case' 0 CA--C 1.549 0.91 0 N-CA-C 113.822 1.045 . . . . 0.0 113.822 -176.584 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -58.79 -41.13 85.96 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.915 0.886 . . . . 0.0 113.136 162.132 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.94 -46.77 79.66 Favored Glycine 0 CA--C 1.534 1.246 0 CA-C-O 119.414 -0.659 . . . . 0.0 114.626 170.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.86 -34.16 72.76 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 114.067 1.136 . . . . 0.0 114.067 176.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.441 ' HD1' ' O ' ' A' ' 23' ' ' TYR . 42.3 m-85 -66.72 86.53 0.12 Allowed 'General case' 0 CA--C 1.549 0.909 0 CA-C-O 123.194 1.473 . . . . 0.0 112.296 163.562 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.0 tpm_? -56.19 125.05 20.03 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 113.723 -1.58 . . . . 0.0 113.272 169.036 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -86.58 -175.52 5.47 Favored 'General case' 0 CA--C 1.554 1.101 0 O-C-N 121.901 -0.499 . . . . 0.0 111.765 172.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -58.86 -82.2 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.97 0 N-CA-C 114.984 1.476 . . . . 0.0 114.984 -178.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -136.24 8.87 3.19 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 122.792 2.542 . . . . 0.0 114.544 177.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -72.0 146.11 47.9 Favored 'General case' 0 CA--C 1.552 1.021 0 O-C-N 120.68 -1.263 . . . . 0.0 112.32 174.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 73.6 p -81.86 158.31 24.06 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 113.842 1.053 . . . . 0.0 113.842 -178.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 73.5 m -60.43 -54.0 50.77 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.642 1.177 . . . . 0.0 114.134 -173.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.6 -21.95 63.54 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 -179.358 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -72.52 -54.67 8.56 Favored 'General case' 0 C--O 1.243 0.726 0 CA-C-N 119.864 1.211 . . . . 0.0 111.108 173.622 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.624 ' O ' HD13 ' A' ' 41' ' ' ILE . 29.2 ptt180 -64.82 -38.55 91.37 Favored 'General case' 0 C--N 1.347 0.486 0 CA-C-O 117.948 -1.025 . . . . 0.0 112.06 172.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . 0.261 . . -85.72 3.17 42.37 Favored 'General case' 0 CA--C 1.551 0.992 0 CA-C-N 122.359 2.345 . . . . 0.0 116.657 173.409 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -74.0 -31.73 63.08 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 119.153 -2.217 . . . . 0.0 112.656 148.051 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.451 ' HB3' ' O ' ' A' ' 37' ' ' ARG . 37.2 ttm180 -69.99 -45.09 68.07 Favored 'General case' 0 CA--C 1.556 1.184 0 O-C-N 121.284 -0.885 . . . . 0.0 112.854 166.62 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.624 HD13 ' O ' ' A' ' 37' ' ' ARG 0.273 3.3 mp -72.27 86.1 0.39 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.942 0 CA-C-O 126.759 3.171 . . . . 0.0 113.519 168.386 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 56.6 mttp -92.26 13.83 18.09 Favored 'General case' 0 CA--C 1.547 0.853 1 CA-C-N 107.975 -4.193 . . . . 0.0 116.252 -176.731 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 50.2 mm -65.25 -37.65 80.68 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.915 0 CA-C-N 119.758 1.163 . . . . 0.0 114.022 -170.355 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -179.39 161.97 28.4 Favored Glycine 0 CA--C 1.545 1.964 0 CA-C-O 117.9 -1.5 . . . . 0.0 115.656 173.208 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_exo -52.57 -48.79 20.05 Favored 'Trans proline' 0 C--N 1.361 1.212 0 C-N-CA 125.201 3.934 . . . . 0.0 115.721 175.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -64.89 -28.7 69.72 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 123.844 0.858 . . . . 0.0 113.267 174.13 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 41.8 t -68.26 -56.8 7.36 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.128 172.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -48.25 -43.5 12.04 Favored 'Isoleucine or valine' 0 C--N 1.352 0.69 0 CA-C-N 121.038 1.745 . . . . 0.0 114.57 169.362 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.407 ' HG3' ' OE2' ' A' ' 9' ' ' GLU . 24.9 tptp -58.7 -55.28 37.09 Favored 'General case' 0 CA--C 1.559 1.296 0 N-CA-C 114.946 1.461 . . . . 0.0 114.946 172.629 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.8 -46.23 74.47 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-N 120.639 1.563 . . . . 0.0 112.115 169.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.439 ' CE2' HD11 ' A' ' 41' ' ' ILE . 2.8 t80 -56.38 -58.39 8.21 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.802 1.241 . . . . 0.0 112.15 176.285 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.12 -42.73 91.26 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.453 1.101 . . . . 0.0 112.334 -178.651 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.482 ' O ' HD13 ' A' ' 57' ' ' ILE . 82.4 m-20 -61.31 -57.67 11.37 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 118.606 0.639 . . . . 0.0 112.553 175.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 12.5 m -61.38 -29.73 70.1 Favored 'General case' 0 CA--C 1.549 0.918 0 N-CA-C 115.359 1.615 . . . . 0.0 115.359 173.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 8.3 t -65.75 -38.61 89.57 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 121.118 1.781 . . . . 0.0 112.537 170.374 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 7.5 m-30 -59.63 -43.59 93.76 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-O 118.324 -0.846 . . . . 0.0 112.441 167.299 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.482 HD13 ' O ' ' A' ' 53' ' ' ASP . 2.1 mp -59.47 -47.51 90.52 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 CA-C-N 119.784 1.174 . . . . 0.0 113.946 168.785 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -51.64 -43.68 62.72 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 173.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 72.6 m-80 -72.0 -34.83 69.2 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 114.396 1.258 . . . . 0.0 114.396 171.578 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -60.18 -39.75 87.57 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 120.871 1.669 . . . . 0.0 113.316 166.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 99.2 t -62.33 -47.49 92.83 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.763 0 CA-C-N 119.436 1.017 . . . . 0.0 112.053 170.081 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 53.9 ttt180 -58.81 -40.09 83.07 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 113.732 1.012 . . . . 0.0 113.732 173.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -85.42 6.92 24.58 Favored 'General case' 0 CA--C 1.553 1.083 0 N-CA-C 115.339 1.607 . . . . 0.0 115.339 171.295 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 55.94 47.83 19.18 Favored 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 126.586 1.954 . . . . 0.0 115.06 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -128.95 -20.9 3.4 Favored 'General case' 0 CA--C 1.55 0.969 0 O-C-N 120.43 -1.419 . . . . 0.0 114.714 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . . . . . . . . 1 C--N 1.233 -4.496 0 CA-C-N 120.675 1.579 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.554 1.132 0 N-CA-C 115.37 1.618 . . . . 0.0 115.37 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.7 mp -77.35 99.7 5.65 Favored 'General case' 0 CA--C 1.548 0.888 0 CA-C-O 123.576 1.655 . . . . 0.0 112.104 179.055 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -55.78 -36.28 67.2 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 113.021 -1.9 . . . . 0.0 113.675 172.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -59.73 -39.44 84.7 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.487 1.115 . . . . 0.0 113.249 172.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 29.1 mmtt -73.17 -38.83 66.04 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-O 116.974 -1.488 . . . . 0.0 114.192 173.034 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 8.9 mt -62.09 -38.54 81.11 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 CA-C-N 121.813 2.097 . . . . 0.0 109.812 169.202 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -59.96 -67.55 0.37 Allowed 'General case' 0 CA--C 1.54 0.588 0 CA-C-O 116.686 -1.626 . . . . 0.0 111.301 169.26 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -66.19 -17.77 64.93 Favored 'General case' 0 CA--C 1.553 1.094 0 CA-C-N 124.658 3.39 . . . . 0.0 115.094 -173.16 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -85.8 -69.1 0.69 Allowed 'General case' 0 CA--C 1.545 0.758 0 O-C-N 119.796 -1.815 . . . . 0.0 111.75 164.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.87 1.37 12.84 Favored 'General case' 0 CA--C 1.554 1.112 0 N-CA-C 118.463 2.764 . . . . 0.0 118.463 -179.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -80.22 -50.19 10.59 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 117.911 -2.993 . . . . 0.0 111.708 155.228 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 69.2 tttt -88.48 70.47 8.98 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-O 124.059 1.885 . . . . 0.0 110.179 -171.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.4 m-30 -53.39 -3.66 0.03 OUTLIER 'General case' 0 CA--C 1.551 0.983 0 CA-C-N 112.096 -2.32 . . . . 0.0 117.187 178.053 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 58.9 tttp -60.06 -34.73 73.82 Favored 'General case' 0 CA--C 1.547 0.863 0 O-C-N 120.959 -1.088 . . . . 0.0 111.806 159.021 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 18.5 m-30 -80.91 59.87 3.92 Favored 'General case' 0 CA--C 1.549 0.907 0 O-C-N 120.594 -1.316 . . . . 0.0 111.191 174.08 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.55 -53.02 62.45 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 115.413 1.635 . . . . 0.0 115.413 -167.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 62.7 mtp -66.62 -27.72 67.92 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.454 0.909 . . . . 0.0 113.454 176.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 66.9 mt -86.59 -37.8 17.76 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.791 0.837 . . . . 0.0 112.521 -175.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.69 -32.08 71.65 Favored 'General case' 0 CA--C 1.545 0.755 0 O-C-N 120.963 -1.086 . . . . 0.0 111.993 163.511 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.2 ttpp -67.97 -26.13 65.78 Favored 'General case' 0 CA--C 1.555 1.166 0 O-C-N 119.844 -1.785 . . . . 0.0 111.892 169.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 11.3 t -66.81 -39.23 87.63 Favored 'General case' 0 CA--C 1.554 1.101 0 O-C-N 120.606 -1.309 . . . . 0.0 113.647 163.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -47.91 -50.63 26.21 Favored 'General case' 0 N--CA 1.483 1.213 0 CA-C-N 119.376 0.989 . . . . 0.0 111.419 160.794 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.297 4.3 m-30 -75.23 -22.79 57.66 Favored 'General case' 0 CA--C 1.554 1.132 0 N-CA-C 114.137 1.162 . . . . 0.0 114.137 -176.81 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -57.96 -42.1 84.27 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-N 120.067 1.303 . . . . 0.0 113.354 156.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.77 -49.37 79.31 Favored Glycine 0 CA--C 1.532 1.132 0 CA-C-O 119.226 -0.764 . . . . 0.0 114.252 169.532 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.22 -38.93 74.5 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 176.291 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -71.8 80.38 0.87 Allowed 'General case' 0 CA--C 1.55 0.977 0 CA-C-O 122.53 1.157 . . . . 0.0 112.042 164.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.7 tpt180 -63.31 119.29 9.37 Favored 'General case' 0 CA--C 1.55 0.958 0 N-CA-C 115.443 1.645 . . . . 0.0 115.443 174.318 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 34.7 m120 -81.06 118.63 22.67 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-O 121.627 0.727 . . . . 0.0 112.017 164.375 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -68.7 52.98 0.08 Allowed 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 126.014 1.725 . . . . 0.0 115.624 179.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -145.45 -75.13 0.22 Allowed 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 114.369 1.248 . . . . 0.0 114.369 -177.846 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -73.0 -178.74 2.92 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 115.772 1.767 . . . . 0.0 115.772 177.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 12.9 t -97.64 159.11 15.13 Favored 'General case' 0 CA--C 1.546 0.798 0 O-C-N 120.474 -1.392 . . . . 0.0 111.849 158.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 98.9 m -57.33 -50.87 71.57 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 115.268 1.581 . . . . 0.0 115.268 -167.187 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.98 -16.11 60.64 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 113.997 1.11 . . . . 0.0 113.997 -179.772 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -78.72 -50.42 11.41 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.741 1.216 . . . . 0.0 110.949 168.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.526 ' O ' HD13 ' A' ' 41' ' ' ILE . 12.4 ttp180 -54.32 -47.61 72.28 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 115.047 -0.978 . . . . 0.0 110.862 170.394 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -87.65 2.18 51.7 Favored 'General case' 0 CA--C 1.55 0.95 0 N-CA-C 117.638 2.458 . . . . 0.0 117.638 173.091 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.98 -30.87 70.24 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 118.789 -2.444 . . . . 0.0 112.091 150.377 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 37.2 ttp-105 -75.38 -44.1 46.74 Favored 'General case' 0 CA--C 1.553 1.069 0 N-CA-C 114.041 1.126 . . . . 0.0 114.041 166.482 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.526 HD13 ' O ' ' A' ' 37' ' ' ARG 0.306 3.4 mp -66.87 85.78 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.551 0.995 0 CA-C-O 127.422 3.487 . . . . 0.0 113.393 165.825 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.9 tppt? -85.26 -4.79 59.28 Favored 'General case' 0 CA--C 1.547 0.849 1 CA-C-N 106.761 -4.745 . . . . 0.0 115.77 -168.725 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 72.3 mt -59.61 -39.28 79.08 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.884 0 N-CA-C 114.839 1.422 . . . . 0.0 114.839 -162.426 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -176.26 165.31 35.68 Favored Glycine 0 CA--C 1.544 1.846 0 CA-C-N 120.057 1.298 . . . . 0.0 116.02 174.127 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -60.83 -45.2 21.5 Favored 'Trans proline' 0 C--N 1.36 1.156 0 C-N-CA 124.35 3.366 . . . . 0.0 115.12 -179.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.1 mttm -59.95 -32.24 70.62 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.266 1.026 . . . . 0.0 113.568 170.015 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 26.1 t -68.52 -59.86 2.85 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-O 116.986 -1.483 . . . . 0.0 110.074 174.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -47.05 -46.37 8.59 Favored 'Isoleucine or valine' 0 C--N 1.353 0.75 0 CA-C-N 121.417 1.917 . . . . 0.0 115.058 171.83 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -60.56 -53.62 55.25 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 114.055 1.131 . . . . 0.0 114.055 174.157 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.06 -51.23 55.33 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 119.579 1.081 . . . . 0.0 111.134 171.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.423 ' CE2' HD11 ' A' ' 41' ' ' ILE . 2.9 t80 -55.26 -60.36 3.51 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.004 1.322 . . . . 0.0 111.983 178.203 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 57.7 tttp -59.83 -39.66 85.85 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 118.934 0.788 . . . . 0.0 113.06 -177.545 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -70.75 -48.78 52.63 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 119.311 0.96 . . . . 0.0 113.578 179.309 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.6 m -58.8 -38.82 79.43 Favored 'General case' 0 CA--C 1.55 0.952 0 N-CA-C 114.144 1.165 . . . . 0.0 114.144 168.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 13.5 t -63.84 -40.48 96.69 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 119.949 1.25 . . . . 0.0 113.487 175.251 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -62.49 -42.37 99.45 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 118.084 -0.96 . . . . 0.0 112.488 169.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 19.2 mm -59.94 -42.61 89.99 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 CA-C-N 120.251 1.387 . . . . 0.0 113.133 170.263 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.61 -50.22 66.13 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 123.807 0.843 . . . . 0.0 113.183 170.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -63.39 -40.95 98.62 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 113.815 1.043 . . . . 0.0 113.815 173.063 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.72 -43.85 95.33 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-O 117.668 -1.158 . . . . 0.0 113.844 170.709 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 62.5 t -61.35 -36.95 76.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 CA-C-N 121.405 1.911 . . . . 0.0 113.083 173.14 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 20.1 mmt85 -61.06 -37.8 83.94 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 119.795 1.179 . . . . 0.0 113.851 169.328 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.59 -48.64 18.57 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 113.664 0.987 . . . . 0.0 113.664 172.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -75.91 62.05 1.55 Allowed 'General case' 0 CA--C 1.552 1.033 0 CA-C-O 122.948 1.356 . . . . 0.0 113.829 -177.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -106.96 -52.31 2.78 Favored 'General case' 0 CA--C 1.545 0.769 0 O-C-N 121.043 -1.036 . . . . 0.0 113.379 175.319 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . . . . . . . . 1 C--N 1.233 -4.47 0 CA-C-N 119.844 1.202 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.4 mtp . . . . . 0 CA--C 1.546 0.808 0 N-CA-C 113.583 0.957 . . . . 0.0 113.583 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.5 mp -88.11 102.12 14.47 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-O 124.329 2.014 . . . . 0.0 111.878 -177.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -54.49 -49.31 70.44 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 111.293 -2.685 . . . . 0.0 112.324 176.069 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 20.8 mttm -65.74 -11.1 42.8 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 115.924 1.824 . . . . 0.0 115.924 173.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.5 mmpm? -85.57 -45.56 11.64 Favored 'General case' 0 C--O 1.235 0.34 0 O-C-N 119.404 -2.06 . . . . 0.0 112.753 168.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . 0.366 1.0 OUTLIER -66.57 -38.99 82.81 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 CA-C-N 121.799 2.091 . . . . 0.0 112.565 166.569 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -62.85 -64.71 0.84 Allowed 'General case' 0 C--N 1.348 0.501 0 CA-C-O 115.817 -2.04 . . . . 0.0 111.268 173.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -71.44 -23.5 61.86 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 124.967 3.531 . . . . 0.0 115.716 -174.578 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -84.09 -55.56 4.14 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 122.332 2.333 . . . . 0.0 112.518 171.269 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.86 -3.87 43.78 Favored 'General case' 0 CA--C 1.553 1.078 0 N-CA-C 117.814 2.524 . . . . 0.0 117.814 174.247 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.59 -57.85 3.27 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 124.75 3.432 . . . . 0.0 112.271 155.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 41.7 mtmt -79.78 73.68 6.51 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-O 123.982 1.849 . . . . 0.0 111.907 -178.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.2 m-30 -50.1 -12.42 0.08 Allowed 'General case' 0 CA--C 1.551 1.012 0 CA-C-N 111.91 -2.404 . . . . 0.0 116.124 170.538 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -61.1 -28.03 68.8 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.763 1.225 . . . . 0.0 113.389 162.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 10.6 m-30 -81.39 60.27 4.37 Favored 'General case' 0 CA--C 1.552 1.029 0 O-C-N 120.154 -1.591 . . . . 0.0 109.917 171.143 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.17 -54.35 44.36 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 117.139 2.274 . . . . 0.0 117.139 -158.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 11.2 tpt -68.82 -31.95 71.3 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.269 1.028 . . . . 0.0 112.77 177.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 70.8 mt -79.51 -38.45 34.34 Favored 'General case' 0 CA--C 1.536 0.437 0 O-C-N 121.464 -0.773 . . . . 0.0 112.128 -177.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.09 -37.58 87.79 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 112.462 0.542 . . . . 0.0 112.462 162.334 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.5 tmtm? -67.66 -32.3 72.88 Favored 'General case' 0 CA--C 1.552 1.03 0 O-C-N 119.362 -2.086 . . . . 0.0 111.266 172.293 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 9.2 t -62.0 -39.77 93.36 Favored 'General case' 0 CA--C 1.554 1.112 0 CA-C-N 120.18 1.354 . . . . 0.0 113.962 167.238 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.8 t -45.46 -56.42 5.06 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.071 0.948 . . . . 0.0 110.971 159.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.301 7.8 m-30 -72.61 -22.82 60.9 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 114.209 1.188 . . . . 0.0 114.209 -174.755 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -58.25 -40.31 81.43 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 159.144 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.91 -44.27 94.84 Favored Glycine 0 CA--C 1.534 1.278 0 N-CA-C 114.796 0.678 . . . . 0.0 114.796 166.355 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.4 -23.6 67.48 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 114.878 1.436 . . . . 0.0 114.878 177.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -62.23 84.8 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.064 0 CA-C-N 121.164 1.802 . . . . 0.0 110.768 161.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.1 tpm_? -62.36 108.38 1.09 Allowed 'General case' 0 CA--C 1.548 0.897 0 CA-C-O 122.55 1.167 . . . . 0.0 113.532 172.148 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -69.81 154.43 41.98 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-N 114.935 -1.029 . . . . 0.0 112.234 170.31 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -53.42 -50.93 64.17 Favored 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 115.737 1.755 . . . . 0.0 115.737 174.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -134.83 -21.09 1.71 Allowed 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 115.892 1.812 . . . . 0.0 115.892 -170.034 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -70.25 159.05 34.74 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 121.369 1.895 . . . . 0.0 114.868 179.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.8 t -107.55 160.54 15.6 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-O 122.513 1.149 . . . . 0.0 113.562 175.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 83.2 m -61.39 -54.95 37.02 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.434 1.493 . . . . 0.0 114.575 -164.257 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -73.72 -16.41 61.19 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 113.478 0.918 . . . . 0.0 113.478 -179.394 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -73.05 -50.78 21.02 Favored 'General case' 0 CA--C 1.548 0.874 0 O-C-N 120.389 -1.444 . . . . 0.0 111.044 168.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.53 ' O ' HD13 ' A' ' 41' ' ' ILE . 58.9 mtm180 -55.9 -51.18 68.49 Favored 'General case' 0 C--N 1.346 0.443 0 CA-C-N 114.943 -1.026 . . . . 0.0 111.528 168.759 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . 0.27 . . -90.02 11.71 19.81 Favored 'General case' 0 CA--C 1.551 0.993 0 N-CA-C 116.714 2.116 . . . . 0.0 116.714 178.563 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -72.62 -38.38 67.77 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 119.487 -2.008 . . . . 0.0 111.941 143.309 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 84.5 mtm180 -70.05 -45.8 66.35 Favored 'General case' 0 CA--C 1.554 1.103 0 N-CA-C 114.237 1.199 . . . . 0.0 114.237 168.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.53 HD13 ' O ' ' A' ' 37' ' ' ARG . 3.6 mp -72.68 89.08 0.46 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.892 0 CA-C-O 126.641 3.115 . . . . 0.0 113.134 168.026 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 34.2 mtmm -88.58 -7.23 56.78 Favored 'General case' 0 CA--C 1.543 0.697 1 CA-C-N 107.571 -4.377 . . . . 0.0 116.51 -174.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 47.0 mm -59.55 -38.9 77.7 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.903 0 N-CA-C 115.733 1.753 . . . . 0.0 115.733 -156.075 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -168.64 159.15 32.18 Favored Glycine 0 CA--C 1.545 1.936 0 CA-C-O 117.495 -1.725 . . . . 0.0 115.468 176.281 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_exo -52.55 -53.79 6.27 Favored 'Trans proline' 0 C--N 1.361 1.233 0 C-N-CA 125.183 3.922 . . . . 0.0 116.019 177.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 44.5 mttt -63.64 -27.56 69.32 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 172.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 34.8 t -65.15 -59.56 3.97 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-O 117.213 -1.375 . . . . 0.0 109.433 173.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -48.82 -45.41 15.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 CA-C-N 120.763 1.619 . . . . 0.0 115.027 171.039 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -62.29 -52.71 62.61 Favored 'General case' 0 CA--C 1.549 0.918 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 174.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.42 -46.46 69.79 Favored 'General case' 0 CA--C 1.548 0.893 0 CA-C-N 120.033 1.288 . . . . 0.0 110.815 171.077 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.442 ' CE2' HD11 ' A' ' 41' ' ' ILE . 3.9 t80 -55.1 -58.97 5.48 Favored 'General case' 0 C--N 1.35 0.6 0 C-N-CA 125.028 1.331 . . . . 0.0 112.386 175.504 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.411 ' O ' ' HD1' ' A' ' 56' ' ' TYR . 79.7 mttt -61.56 -38.98 89.46 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 119.264 0.938 . . . . 0.0 113.215 -178.256 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -72.8 -42.8 63.49 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 114.349 1.241 . . . . 0.0 114.349 178.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.4 m -60.02 -37.58 80.16 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 165.346 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 5.6 t -63.46 -38.01 89.5 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 119.681 1.128 . . . . 0.0 112.695 172.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.411 ' HD1' ' O ' ' A' ' 52' ' ' LYS . 18.5 m-85 -58.67 -45.28 89.77 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 119.771 1.169 . . . . 0.0 113.569 165.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 21.7 mm -59.92 -44.65 94.89 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 CA-C-N 119.569 1.077 . . . . 0.0 112.84 172.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.05 -45.64 75.28 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.393 1.077 . . . . 0.0 113.836 172.534 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -67.45 -34.24 76.77 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 114.145 1.165 . . . . 0.0 114.145 172.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -62.72 -46.11 89.61 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 119.818 1.19 . . . . 0.0 112.318 167.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 94.1 t -58.48 -42.28 83.97 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.842 0 CA-C-N 119.713 1.142 . . . . 0.0 112.55 172.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 43.7 ttt180 -59.29 -40.13 85.18 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 113.612 0.968 . . . . 0.0 113.612 171.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.27 -42.57 62.32 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 172.309 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -75.05 -49.07 20.95 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 114.623 1.342 . . . . 0.0 114.623 178.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . 0.252 58.8 mt-30 55.05 65.0 1.61 Allowed 'General case' 0 CA--C 1.553 1.085 0 N-CA-C 116.226 1.935 . . . . 0.0 116.226 -175.427 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . . . . . . . . 1 C--N 1.232 -4.513 0 O-C-N 121.45 -0.781 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.2 ptm . . . . . 0 CA--C 1.545 0.787 0 N-CA-C 114.113 1.153 . . . . 0.0 114.113 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 94.5 mt -100.38 92.02 4.98 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-O 124.701 2.191 . . . . 0.0 111.814 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 -56.51 -36.95 69.76 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-N 111.226 -2.715 . . . . 0.0 112.292 171.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -60.28 -36.81 78.68 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.011 1.325 . . . . 0.0 113.393 170.168 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 30.9 mmtt -74.41 -34.43 63.26 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 120.989 1.722 . . . . 0.0 114.544 174.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.5 mt -60.55 -45.06 97.73 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.34 0 CA-C-N 121.754 2.07 . . . . 0.0 109.273 166.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -58.69 -60.38 3.91 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-O 116.955 -1.498 . . . . 0.0 111.82 173.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -66.76 -20.86 66.04 Favored 'General case' 0 CA--C 1.55 0.955 0 CA-C-N 123.803 3.002 . . . . 0.0 114.576 -176.263 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -85.84 -62.88 1.42 Allowed 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 121.795 2.089 . . . . 0.0 112.195 166.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.0 1.27 11.28 Favored 'General case' 0 CA--C 1.556 1.198 0 N-CA-C 117.936 2.569 . . . . 0.0 117.936 177.479 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.45 -50.62 12.3 Favored 'General case' 0 N--CA 1.474 0.729 0 O-C-N 117.517 -3.24 . . . . 0.0 111.781 154.466 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -80.19 70.46 6.82 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-O 122.847 1.308 . . . . 0.0 111.514 -177.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -55.09 -9.66 0.42 Allowed 'General case' 0 CA--C 1.552 1.029 0 N-CA-C 115.814 1.783 . . . . 0.0 115.814 172.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -61.51 -31.64 71.64 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.759 1.224 . . . . 0.0 113.274 160.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 14.3 m-30 -82.55 61.42 5.68 Favored 'General case' 0 CA--C 1.549 0.922 0 O-C-N 120.162 -1.586 . . . . 0.0 109.729 172.18 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.25 -52.09 62.47 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 115.7 1.741 . . . . 0.0 115.7 -164.206 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 34.4 ttm -67.98 -30.07 69.26 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.495 1.118 . . . . 0.0 112.813 177.217 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 66.0 mt -84.42 -39.39 19.05 Favored 'General case' 0 CA--C 1.536 0.406 0 O-C-N 121.381 -0.824 . . . . 0.0 112.356 -174.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.1 pptp? -67.26 -31.6 72.06 Favored 'General case' 0 CA--C 1.547 0.834 0 O-C-N 121.177 -0.952 . . . . 0.0 112.124 163.077 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.3 ttpp -68.2 -27.34 66.31 Favored 'General case' 0 CA--C 1.556 1.18 0 O-C-N 119.513 -1.992 . . . . 0.0 112.188 169.222 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 11.6 t -66.26 -39.39 89.44 Favored 'General case' 0 CA--C 1.553 1.071 0 O-C-N 120.44 -1.413 . . . . 0.0 113.593 165.43 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -47.77 -52.59 18.18 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.672 0.789 . . . . 0.0 110.932 160.472 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.311 5.0 m-30 -74.85 -18.33 60.46 Favored 'General case' 0 CA--C 1.555 1.143 0 N-CA-C 114.392 1.256 . . . . 0.0 114.392 -176.074 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -60.54 -44.56 95.96 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 120.401 1.455 . . . . 0.0 113.667 155.583 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.02 -42.25 98.31 Favored Glycine 0 CA--C 1.534 1.275 0 CA-C-O 119.51 -0.606 . . . . 0.0 114.288 170.4 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.87 -42.53 97.49 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 113.678 0.992 . . . . 0.0 113.678 172.647 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -70.91 69.47 0.46 Allowed 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 123.579 1.657 . . . . 0.0 113.855 170.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 29.8 ttt85 -89.07 84.29 6.57 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-O 123.502 1.62 . . . . 0.0 111.339 172.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 30.3 m120 -103.63 -23.42 13.47 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 113.781 -1.554 . . . . 0.0 115.186 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -76.97 -99.73 0.02 OUTLIER 'General case' 0 CA--C 1.557 1.212 0 N-CA-C 116.231 1.937 . . . . 0.0 116.231 -178.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -176.18 -34.61 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 125.652 1.581 . . . . 0.0 113.28 -166.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -67.29 163.06 21.37 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 115.889 1.811 . . . . 0.0 115.889 -169.324 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.0 t -82.98 153.56 24.93 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 120.46 -1.4 . . . . 0.0 112.425 176.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 72.9 m -59.3 -49.51 77.56 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 114.436 1.273 . . . . 0.0 114.436 -162.206 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -71.78 -22.53 61.57 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 113.697 0.999 . . . . 0.0 113.697 177.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -72.17 -52.49 16.35 Favored 'General case' 0 CA--C 1.548 0.874 0 O-C-N 119.731 -1.856 . . . . 0.0 111.177 171.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.525 ' O ' HD13 ' A' ' 41' ' ' ILE . 26.4 ttt-85 -53.32 -51.88 60.96 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 112.607 -2.088 . . . . 0.0 110.422 172.214 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -88.57 6.31 38.7 Favored 'General case' 0 CA--C 1.55 0.961 0 N-CA-C 117.332 2.345 . . . . 0.0 117.332 175.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.51 -35.73 75.79 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 118.944 -2.347 . . . . 0.0 111.786 148.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 88.2 mtm-85 -70.69 -41.72 71.64 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 113.668 0.988 . . . . 0.0 113.668 167.027 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.525 HD13 ' O ' ' A' ' 37' ' ' ARG 0.253 3.4 mp -76.81 78.91 0.66 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.918 0 CA-C-O 127.378 3.466 . . . . 0.0 113.016 166.214 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -95.92 14.93 21.88 Favored 'General case' 0 CA--C 1.547 0.847 1 CA-C-N 107.346 -4.479 . . . . 0.0 115.381 -172.284 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 70.6 mt -66.57 -40.82 87.24 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.858 0 N-CA-C 113.641 0.978 . . . . 0.0 113.641 -168.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -169.9 159.89 32.68 Favored Glycine 0 CA--C 1.546 1.994 0 CA-C-O 117.793 -1.559 . . . . 0.0 115.894 175.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_exo -52.23 -48.62 20.8 Favored 'Trans proline' 0 C--N 1.362 1.243 0 C-N-CA 125.224 3.949 . . . . 0.0 115.851 175.417 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 22.3 mttm -62.19 -30.65 71.22 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 113.944 1.09 . . . . 0.0 113.944 172.052 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 24.7 t -68.79 -59.93 2.74 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-O 116.987 -1.482 . . . . 0.0 109.73 174.153 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -47.76 -43.98 10.35 Favored 'Isoleucine or valine' 0 C--N 1.354 0.769 0 CA-C-N 121.444 1.929 . . . . 0.0 114.996 171.278 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.413 ' HA ' ' HZ2' ' A' ' 49' ' ' LYS . 0.2 OUTLIER -60.27 -54.27 47.75 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 115.544 1.683 . . . . 0.0 115.544 172.959 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.81 -49.65 62.33 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.25 1.02 . . . . 0.0 110.786 170.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.438 ' CE2' HD11 ' A' ' 41' ' ' ILE . 4.1 t80 -55.45 -59.48 4.76 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.941 1.296 . . . . 0.0 112.358 177.361 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 56.6 mtmt -62.12 -35.86 80.0 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 114.317 1.228 . . . . 0.0 114.317 -178.02 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -76.44 -39.44 53.4 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 119.913 1.233 . . . . 0.0 113.877 177.434 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 5.3 m -63.01 -33.77 76.13 Favored 'General case' 0 CA--C 1.551 1.018 0 O-C-N 120.722 -1.236 . . . . 0.0 114.187 163.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 6.2 t -63.82 -37.64 88.13 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 120.758 1.617 . . . . 0.0 112.814 171.226 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -57.7 -45.93 85.01 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 123.985 0.914 . . . . 0.0 112.947 165.408 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 30.6 mm -58.2 -48.81 83.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 CA-C-N 120.141 1.337 . . . . 0.0 113.96 168.059 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.64 -45.7 77.57 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 176.496 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -66.24 -35.22 79.84 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 114.061 1.134 . . . . 0.0 114.061 171.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.425 ' O ' ' HG2' ' A' ' 64' ' ' GLU . 19.2 tt0 -61.58 -44.8 96.35 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 119.862 1.21 . . . . 0.0 111.949 168.767 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 85.2 t -61.43 -43.39 96.68 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.746 0 C-N-CA 123.959 0.904 . . . . 0.0 112.746 171.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 32.2 mmt180 -63.93 -29.75 70.89 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 120.207 1.367 . . . . 0.0 114.503 170.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.18 -55.06 10.32 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 120.057 1.299 . . . . 0.0 113.214 166.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.425 ' HG2' ' O ' ' A' ' 60' ' ' GLN . 15.5 pt-20 -83.18 52.02 2.1 Favored 'General case' 0 CA--C 1.555 1.171 0 CA-C-N 121.18 1.809 . . . . 0.0 113.382 178.776 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -112.7 -55.89 2.47 Favored 'General case' 0 CA--C 1.545 0.786 0 O-C-N 120.583 -1.323 . . . . 0.0 113.09 -175.042 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . . . . . . . . 1 C--N 1.234 -4.442 0 CA-C-N 119.824 1.193 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.3 mmm . . . . . 0 CA--C 1.546 0.793 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 20.7 tp -138.52 126.69 22.79 Favored 'General case' 0 CA--C 1.551 1.017 0 CA-C-O 123.683 1.706 . . . . 0.0 113.605 -174.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 38.9 tt0 -59.28 -46.58 88.15 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 112.611 -2.086 . . . . 0.0 113.659 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -56.05 -37.85 69.81 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.632 1.173 . . . . 0.0 112.958 174.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.434 ' O ' ' HG2' ' A' ' 9' ' ' GLU . 2.0 mtpp -75.46 -32.1 60.51 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-O 115.807 -2.044 . . . . 0.0 115.396 174.135 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.7 mt -56.57 -48.17 80.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 CA-C-N 123.433 2.833 . . . . 0.0 108.841 164.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.01 -53.51 56.95 Favored 'General case' 0 C--O 1.219 -0.518 0 CA-C-O 115.592 -2.147 . . . . 0.0 113.037 175.024 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -62.08 -20.62 64.2 Favored 'General case' 0 N--CA 1.477 0.914 1 CA-C-N 126.023 4.01 . . . . 0.0 114.885 178.659 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.434 ' HG2' ' O ' ' A' ' 5' ' ' LYS . 18.6 mm-40 -84.49 -65.06 1.05 Allowed 'General case' 0 CA--C 1.545 0.756 0 O-C-N 120.784 -1.197 . . . . 0.0 111.848 167.515 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.15 3.52 10.46 Favored 'General case' 0 CA--C 1.556 1.197 0 N-CA-C 119.134 3.012 . . . . 0.0 119.134 177.357 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.46 -51.64 8.08 Favored 'General case' 0 N--CA 1.472 0.635 0 O-C-N 117.153 -3.467 . . . . 0.0 111.892 157.161 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.4 mtpt -84.27 70.1 10.54 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-O 123.568 1.651 . . . . 0.0 111.293 -173.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -56.55 0.35 0.03 OUTLIER 'General case' 0 CA--C 1.555 1.14 0 N-CA-C 116.474 2.027 . . . . 0.0 116.474 174.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -58.83 -51.43 70.03 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.549 1.54 . . . . 0.0 112.434 167.455 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . 0.259 0.6 OUTLIER -87.73 69.5 9.6 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-O 125.395 2.521 . . . . 0.0 111.681 170.285 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.42 -34.21 66.56 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 109.667 -3.424 . . . . 0.0 115.012 -177.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 58.2 ttp -63.32 -39.57 94.93 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.652 1.181 . . . . 0.0 113.092 173.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 79.4 mt -81.77 -38.55 25.46 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 121.568 -0.708 . . . . 0.0 112.259 -177.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.8 tmtt? -62.99 -34.03 76.67 Favored 'General case' 0 CA--C 1.552 1.052 0 O-C-N 121.445 -0.784 . . . . 0.0 112.999 163.289 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.6 tttm -61.76 -39.99 93.55 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 121.806 2.093 . . . . 0.0 111.168 166.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 96.3 m -53.3 -42.7 66.91 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 122.405 2.366 . . . . 0.0 113.914 168.521 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -48.65 -56.83 7.38 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.402 0.681 . . . . 0.0 111.35 163.689 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.265 7.8 m-30 -74.59 -21.23 59.59 Favored 'General case' 0 CA--C 1.553 1.074 0 N-CA-C 114.716 1.376 . . . . 0.0 114.716 -173.64 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -61.12 -40.11 92.54 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.485 1.114 . . . . 0.0 112.972 159.344 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.13 -54.75 35.37 Favored Glycine 0 CA--C 1.533 1.19 0 CA-C-O 119.197 -0.779 . . . . 0.0 113.975 166.216 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.94 -46.45 89.36 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 115.009 1.485 . . . . 0.0 115.009 -179.342 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -76.28 63.44 1.92 Allowed 'General case' 0 CA--C 1.55 0.946 0 CA-C-N 120.485 1.493 . . . . 0.0 113.267 176.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 73.4 ttt180 -77.15 78.19 3.69 Favored 'General case' 0 CA--C 1.548 0.886 0 CA-C-O 123.911 1.815 . . . . 0.0 112.448 179.311 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -89.33 -21.17 23.26 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 113.551 -1.659 . . . . 0.0 112.103 169.633 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -69.62 12.14 0.21 Allowed 'General case' 0 CA--C 1.551 0.989 0 N-CA-C 116.948 2.203 . . . . 0.0 116.948 -169.53 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . 0.309 3.3 p30 47.53 -35.07 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.179 0 N-CA-C 119.752 3.242 . . . . 0.0 119.752 -172.49 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -64.22 179.05 0.61 Allowed 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 126.85 2.06 . . . . 0.0 116.242 179.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 13.7 t -88.95 155.56 19.43 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 120.691 -1.256 . . . . 0.0 113.687 175.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 71.3 m -57.38 -53.01 62.98 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.672 1.589 . . . . 0.0 114.965 -167.232 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -73.54 -21.39 60.39 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 114.59 1.329 . . . . 0.0 114.59 -173.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -80.02 -47.8 14.34 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 121.64 2.018 . . . . 0.0 110.592 173.068 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.582 ' O ' HD13 ' A' ' 41' ' ' ILE . 15.9 ptt180 -63.22 -37.3 86.69 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-O 118.612 -0.709 . . . . 0.0 111.848 173.122 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -85.86 -3.33 58.89 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 116.8 2.148 . . . . 0.0 116.8 170.055 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -68.16 -25.66 65.38 Favored 'General case' 0 CA--C 1.543 0.685 0 O-C-N 119.236 -2.165 . . . . 0.0 112.306 150.344 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 42.2 mtt180 -73.62 -57.43 4.0 Favored 'General case' 0 CA--C 1.553 1.091 0 CA-C-O 117.414 -1.279 . . . . 0.0 112.471 164.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.582 HD13 ' O ' ' A' ' 37' ' ' ARG 0.317 3.2 mp -54.72 93.79 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.552 1.02 0 CA-C-O 127.178 3.37 . . . . 0.0 114.596 174.009 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.23 -8.37 53.63 Favored 'General case' 0 CA--C 1.544 0.732 1 CA-C-N 106.86 -4.7 . . . . 0.0 117.382 -166.636 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 2.2 mp -59.51 -37.03 68.05 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.968 0 N-CA-C 115.09 1.515 . . . . 0.0 115.09 -164.162 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 175.92 166.01 32.69 Favored Glycine 0 CA--C 1.545 1.94 0 CA-C-N 120.341 1.428 . . . . 0.0 116.184 171.425 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_exo -52.24 -46.2 34.31 Favored 'Trans proline' 0 C--N 1.361 1.206 0 C-N-CA 125.22 3.947 . . . . 0.0 115.897 175.35 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 48.4 tttm -68.42 -28.46 67.1 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 124.341 1.056 . . . . 0.0 112.352 177.001 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 30.1 t -67.33 -57.62 6.31 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 117.36 -1.305 . . . . 0.0 111.626 170.549 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -49.91 -39.72 15.62 Favored 'Isoleucine or valine' 0 C--N 1.352 0.71 0 CA-C-N 120.628 1.558 . . . . 0.0 114.536 170.19 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 26.5 tptp -63.63 -51.75 63.81 Favored 'General case' 0 CA--C 1.553 1.081 0 N-CA-C 114.614 1.339 . . . . 0.0 114.614 173.422 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.66 -49.45 62.29 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 119.963 1.256 . . . . 0.0 111.002 168.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.438 ' CE2' HD11 ' A' ' 41' ' ' ILE . 3.7 t80 -54.55 -56.68 16.37 Favored 'General case' 0 C--N 1.349 0.571 0 C-N-CA 125.226 1.41 . . . . 0.0 112.01 176.459 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.415 ' O ' ' HD1' ' A' ' 56' ' ' TYR . 17.5 mmtt -60.47 -40.13 90.12 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 114.425 1.268 . . . . 0.0 114.425 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -65.52 -50.1 66.48 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 120.023 1.283 . . . . 0.0 113.958 175.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 5.9 m -62.63 -30.88 71.69 Favored 'General case' 0 CA--C 1.55 0.958 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 169.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.8 t -69.34 -33.91 73.82 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 120.516 1.507 . . . . 0.0 113.446 171.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.415 ' HD1' ' O ' ' A' ' 52' ' ' LYS . 26.8 m-85 -59.53 -42.35 92.11 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 120.577 -1.327 . . . . 0.0 112.771 164.207 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 26.0 mm -59.62 -44.44 93.39 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 N-CA-C 113.623 0.971 . . . . 0.0 113.623 168.239 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.54 -40.11 78.1 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 113.783 1.031 . . . . 0.0 113.783 172.272 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 50.0 m-80 -60.7 -43.73 97.41 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 119.994 1.27 . . . . 0.0 113.519 168.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -62.46 -41.14 98.56 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 113.221 0.822 . . . . 0.0 113.221 172.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 95.7 t -63.76 -45.77 96.33 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.738 0 CA-C-N 118.783 0.719 . . . . 0.0 112.437 169.587 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -66.29 -23.39 66.38 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 120.939 1.7 . . . . 0.0 115.564 174.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.79 -28.28 69.47 Favored 'General case' 0 CA--C 1.548 0.886 0 CA-C-N 119.807 1.185 . . . . 0.0 113.706 162.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -89.03 -48.64 7.28 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.049 0.939 . . . . 0.0 112.082 173.214 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -153.74 126.6 8.29 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 114.198 1.185 . . . . 0.0 114.198 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . . . . . . . . 1 C--N 1.228 -4.692 0 O-C-N 121.114 -0.991 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.4 mtp . . . . . 0 CA--C 1.546 0.808 0 N-CA-C 113.583 0.957 . . . . 0.0 113.583 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.5 mp -88.11 102.12 14.47 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-O 124.329 2.014 . . . . 0.0 111.878 -177.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -54.49 -49.31 70.44 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 111.293 -2.685 . . . . 0.0 112.324 176.069 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 20.8 mttm -65.74 -11.1 42.8 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 115.924 1.824 . . . . 0.0 115.924 173.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.5 mmpm? -85.57 -45.56 11.64 Favored 'General case' 0 C--O 1.235 0.34 0 O-C-N 119.404 -2.06 . . . . 0.0 112.753 168.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . 0.366 1.0 OUTLIER -66.57 -38.99 82.81 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 CA-C-N 121.799 2.091 . . . . 0.0 112.565 166.569 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -62.85 -64.71 0.84 Allowed 'General case' 0 C--N 1.348 0.501 0 CA-C-O 115.817 -2.04 . . . . 0.0 111.268 173.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -71.44 -23.5 61.86 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 124.967 3.531 . . . . 0.0 115.716 -174.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -84.09 -55.56 4.14 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 122.332 2.333 . . . . 0.0 112.518 171.269 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.86 -3.87 43.78 Favored 'General case' 0 CA--C 1.553 1.078 0 N-CA-C 117.814 2.524 . . . . 0.0 117.814 174.247 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.59 -57.85 3.27 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 124.75 3.432 . . . . 0.0 112.271 155.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 41.7 mtmt -79.78 73.68 6.51 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-O 123.982 1.849 . . . . 0.0 111.907 -178.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.2 m-30 -50.1 -12.42 0.08 Allowed 'General case' 0 CA--C 1.551 1.012 0 CA-C-N 111.91 -2.404 . . . . 0.0 116.124 170.538 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -61.1 -28.03 68.8 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.763 1.225 . . . . 0.0 113.389 162.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 10.6 m-30 -81.39 60.27 4.37 Favored 'General case' 0 CA--C 1.552 1.029 0 O-C-N 120.154 -1.591 . . . . 0.0 109.917 171.143 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.17 -54.35 44.36 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 117.139 2.274 . . . . 0.0 117.139 -158.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 11.2 tpt -68.82 -31.95 71.3 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.269 1.028 . . . . 0.0 112.77 177.456 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 70.8 mt -79.51 -38.45 34.34 Favored 'General case' 0 CA--C 1.536 0.437 0 O-C-N 121.464 -0.773 . . . . 0.0 112.128 -177.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.09 -37.58 87.79 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 112.462 0.542 . . . . 0.0 112.462 162.334 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.5 tmtm? -67.66 -32.3 72.88 Favored 'General case' 0 CA--C 1.552 1.03 0 O-C-N 119.362 -2.086 . . . . 0.0 111.266 172.293 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 9.2 t -62.0 -39.77 93.36 Favored 'General case' 0 CA--C 1.554 1.112 0 CA-C-N 120.18 1.354 . . . . 0.0 113.962 167.238 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.8 t -45.46 -56.42 5.06 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.071 0.948 . . . . 0.0 110.971 159.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.301 7.8 m-30 -72.61 -22.82 60.9 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 114.209 1.188 . . . . 0.0 114.209 -174.755 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -58.25 -40.31 81.43 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 159.144 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.91 -44.27 94.84 Favored Glycine 0 CA--C 1.534 1.278 0 N-CA-C 114.796 0.678 . . . . 0.0 114.796 166.355 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.4 -23.6 67.48 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 114.878 1.436 . . . . 0.0 114.878 177.461 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -62.23 84.8 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.064 0 CA-C-N 121.164 1.802 . . . . 0.0 110.768 161.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.1 tpm_? -62.36 108.38 1.09 Allowed 'General case' 0 CA--C 1.548 0.897 0 CA-C-O 122.55 1.167 . . . . 0.0 113.532 172.148 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -69.81 154.43 41.98 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-N 114.935 -1.029 . . . . 0.0 112.234 170.31 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -53.42 -50.93 64.17 Favored 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 115.737 1.755 . . . . 0.0 115.737 174.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -134.83 -21.09 1.71 Allowed 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 115.892 1.812 . . . . 0.0 115.892 -170.034 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -70.25 159.05 34.74 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 121.369 1.895 . . . . 0.0 114.868 179.475 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.8 t -107.55 160.54 15.6 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-O 122.513 1.149 . . . . 0.0 113.562 175.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 83.2 m -61.39 -54.95 37.02 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.434 1.493 . . . . 0.0 114.575 -164.257 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -73.72 -16.41 61.19 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 113.478 0.918 . . . . 0.0 113.478 -179.394 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -73.05 -50.78 21.02 Favored 'General case' 0 CA--C 1.548 0.874 0 O-C-N 120.389 -1.444 . . . . 0.0 111.044 168.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.53 ' O ' HD13 ' A' ' 41' ' ' ILE . 58.9 mtm180 -55.9 -51.18 68.49 Favored 'General case' 0 C--N 1.346 0.443 0 CA-C-N 114.943 -1.026 . . . . 0.0 111.528 168.759 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . 0.27 . . -90.02 11.71 19.81 Favored 'General case' 0 CA--C 1.551 0.993 0 N-CA-C 116.714 2.116 . . . . 0.0 116.714 178.563 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -72.62 -38.38 67.77 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 119.487 -2.008 . . . . 0.0 111.941 143.309 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 84.5 mtm180 -70.05 -45.8 66.35 Favored 'General case' 0 CA--C 1.554 1.103 0 N-CA-C 114.237 1.199 . . . . 0.0 114.237 168.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.53 HD13 ' O ' ' A' ' 37' ' ' ARG . 3.6 mp -72.68 89.08 0.46 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.892 0 CA-C-O 126.641 3.115 . . . . 0.0 113.134 168.026 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 34.2 mtmm -88.58 -7.23 56.78 Favored 'General case' 0 CA--C 1.543 0.697 1 CA-C-N 107.571 -4.377 . . . . 0.0 116.51 -174.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 47.0 mm -59.55 -38.9 77.7 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.903 0 N-CA-C 115.733 1.753 . . . . 0.0 115.733 -156.075 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -168.64 159.15 32.18 Favored Glycine 0 CA--C 1.545 1.936 0 CA-C-O 117.495 -1.725 . . . . 0.0 115.468 176.281 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_exo -52.55 -53.79 6.27 Favored 'Trans proline' 0 C--N 1.361 1.233 0 C-N-CA 125.183 3.922 . . . . 0.0 116.019 177.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 44.5 mttt -63.64 -27.56 69.32 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 172.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 34.8 t -65.15 -59.56 3.97 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-O 117.213 -1.375 . . . . 0.0 109.433 173.155 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -48.82 -45.41 15.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 CA-C-N 120.763 1.619 . . . . 0.0 115.027 171.039 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -62.29 -52.71 62.61 Favored 'General case' 0 CA--C 1.549 0.918 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 174.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.42 -46.46 69.79 Favored 'General case' 0 CA--C 1.548 0.893 0 CA-C-N 120.033 1.288 . . . . 0.0 110.815 171.077 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.442 ' CE2' HD11 ' A' ' 41' ' ' ILE . 3.9 t80 -55.1 -58.97 5.48 Favored 'General case' 0 C--N 1.35 0.6 0 C-N-CA 125.028 1.331 . . . . 0.0 112.386 175.504 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.411 ' O ' ' HD1' ' A' ' 56' ' ' TYR . 79.7 mttt -61.56 -38.98 89.46 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 119.264 0.938 . . . . 0.0 113.215 -178.256 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -72.8 -42.8 63.49 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 114.349 1.241 . . . . 0.0 114.349 178.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.4 m -60.02 -37.58 80.16 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 165.346 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 5.6 t -63.46 -38.01 89.5 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 119.681 1.128 . . . . 0.0 112.695 172.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.411 ' HD1' ' O ' ' A' ' 52' ' ' LYS . 18.5 m-85 -58.67 -45.28 89.77 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 119.771 1.169 . . . . 0.0 113.569 165.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 21.7 mm -59.92 -44.65 94.89 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 CA-C-N 119.569 1.077 . . . . 0.0 112.84 172.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.05 -45.64 75.28 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.393 1.077 . . . . 0.0 113.836 172.534 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -67.45 -34.24 76.77 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 114.145 1.165 . . . . 0.0 114.145 172.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -62.72 -46.11 89.61 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 119.818 1.19 . . . . 0.0 112.318 167.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 94.1 t -58.48 -42.28 83.97 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.842 0 CA-C-N 119.713 1.142 . . . . 0.0 112.55 172.648 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 43.7 ttt180 -59.29 -40.13 85.18 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 113.612 0.968 . . . . 0.0 113.612 171.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.27 -42.57 62.32 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 172.309 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -75.05 -49.07 20.95 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 114.623 1.342 . . . . 0.0 114.623 178.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . 0.252 58.8 mt-30 55.05 65.0 1.61 Allowed 'General case' 0 CA--C 1.553 1.085 0 N-CA-C 116.226 1.935 . . . . 0.0 116.226 -175.427 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . . . . . . . . 1 C--N 1.232 -4.513 0 O-C-N 121.45 -0.781 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.5 mmm . . . . . 0 CA--C 1.546 0.8 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -98.5 100.93 12.23 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-O 123.732 1.729 . . . . 0.0 113.219 -174.378 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -50.99 -48.92 61.23 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 111.995 -2.366 . . . . 0.0 112.294 171.359 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.405 ' O ' ' HB2' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -64.51 -14.83 59.29 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 114.453 1.279 . . . . 0.0 114.453 175.75 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.04 -38.6 18.99 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-N 121.606 2.003 . . . . 0.0 113.033 171.903 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.6 mp -61.92 -52.85 55.67 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.18 0 CA-C-N 119.799 1.181 . . . . 0.0 109.609 164.429 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -61.37 -32.03 71.94 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 116.83 -1.557 . . . . 0.0 113.6 -178.881 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.405 ' HB2' ' O ' ' A' ' 4' ' ' LYS . 17.7 tt0 -70.99 -57.57 4.42 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 122.767 2.53 . . . . 0.0 113.021 171.124 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -66.11 -47.31 74.56 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 120.364 1.438 . . . . 0.0 112.815 -177.443 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.72 -0.24 15.02 Favored 'General case' 0 CA--C 1.555 1.158 0 N-CA-C 117.152 2.278 . . . . 0.0 117.152 165.372 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -79.04 -47.33 16.4 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 125.101 3.591 . . . . 0.0 112.851 151.449 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 43.2 mtmt -73.5 62.9 0.77 Allowed 'General case' 0 CA--C 1.55 0.971 0 CA-C-O 122.781 1.277 . . . . 0.0 112.554 -177.166 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -58.13 -12.01 3.1 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 115.287 1.588 . . . . 0.0 115.287 173.938 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -61.69 -36.85 82.09 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.679 1.192 . . . . 0.0 112.729 162.23 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -89.72 69.96 7.72 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-O 124.869 2.271 . . . . 0.0 109.979 174.006 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.7 -46.37 77.66 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 109.53 -3.486 . . . . 0.0 114.845 -167.855 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -70.45 -29.0 65.46 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.173 0.989 . . . . 0.0 113.597 177.046 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 84.5 mt -81.89 -40.27 22.62 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 119.622 1.101 . . . . 0.0 112.79 -178.285 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.1 pptp? -68.45 -32.01 71.73 Favored 'General case' 0 CA--C 1.547 0.837 0 O-C-N 121.486 -0.759 . . . . 0.0 112.657 163.933 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.29 -27.2 66.98 Favored 'General case' 0 CA--C 1.547 0.862 0 CA-C-N 121.962 2.165 . . . . 0.0 112.305 169.19 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 9.0 t -67.01 -38.71 86.45 Favored 'General case' 0 CA--C 1.551 0.997 0 CA-C-N 119.8 1.182 . . . . 0.0 113.73 164.798 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -47.81 -51.98 20.57 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-N 119.502 1.046 . . . . 0.0 110.833 159.076 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.331 5.1 m-30 -72.9 -26.74 61.53 Favored 'General case' 0 CA--C 1.55 0.955 0 N-CA-C 113.588 0.958 . . . . 0.0 113.588 -176.451 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -56.42 -37.63 70.48 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 119.93 1.241 . . . . 0.0 114.225 158.489 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.35 -44.57 90.26 Favored Glycine 0 CA--C 1.535 1.307 0 CA-C-N 118.979 0.808 . . . . 0.0 114.487 166.396 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.26 -47.41 73.8 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 115.846 1.795 . . . . 0.0 115.846 -177.665 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . 0.357 2.0 p90 -77.29 59.84 1.87 Allowed 'General case' 0 CA--C 1.553 1.079 0 CA-C-N 124.005 3.093 . . . . 0.0 114.484 176.974 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.91 123.05 38.16 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 113.852 -1.522 . . . . 0.0 110.651 178.034 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 29.9 m-80 -112.66 -124.87 0.28 Allowed 'General case' 0 CA--C 1.551 0.999 0 O-C-N 121.137 -0.977 . . . . 0.0 110.952 -173.327 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -67.89 -14.62 63.11 Favored 'General case' 0 CA--C 1.548 0.903 0 O-C-N 119.965 -1.709 . . . . 0.0 115.238 171.829 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -68.22 123.22 20.1 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 124.662 1.185 . . . . 0.0 112.276 -179.317 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -60.27 -81.01 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.847 0 N-CA-C 117.225 2.306 . . . . 0.0 117.225 -154.685 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.0 t -126.61 141.09 51.97 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 121.275 1.852 . . . . 0.0 113.864 -170.937 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 76.5 m -69.77 -50.94 38.31 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 115.796 1.776 . . . . 0.0 115.796 -163.808 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.72 -16.61 63.18 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 115.137 1.532 . . . . 0.0 115.137 -178.413 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -73.78 -53.8 9.47 Favored 'General case' 0 CA--C 1.55 0.953 0 CA-C-N 119.797 1.18 . . . . 0.0 111.352 167.932 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.56 ' O ' HD13 ' A' ' 41' ' ' ILE . 20.4 mtt85 -59.58 -40.65 88.06 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.134 0.974 . . . . 0.0 112.384 172.881 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -91.87 7.43 42.01 Favored 'General case' 0 CA--C 1.55 0.973 0 N-CA-C 116.402 2.001 . . . . 0.0 116.402 171.955 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.75 -32.83 68.12 Favored 'General case' 0 CA--C 1.543 0.673 0 O-C-N 118.923 -2.36 . . . . 0.0 112.013 145.507 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.443 ' HB3' ' O ' ' A' ' 37' ' ' ARG . 54.1 ttp180 -71.14 -49.47 43.69 Favored 'General case' 0 CA--C 1.556 1.179 0 N-CA-C 113.655 0.983 . . . . 0.0 113.655 166.267 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.56 HD13 ' O ' ' A' ' 37' ' ' ARG 0.259 3.3 mp -65.52 87.66 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.549 0.932 0 CA-C-O 127.183 3.373 . . . . 0.0 112.774 165.807 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.0 tppt? -86.41 -11.06 52.99 Favored 'General case' 0 CA--C 1.546 0.801 1 CA-C-N 106.961 -4.654 . . . . 0.0 115.784 -169.464 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 45.7 mm -59.33 -39.1 78.11 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.874 0 N-CA-C 115.605 1.706 . . . . 0.0 115.605 -156.357 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -172.55 161.73 33.32 Favored Glycine 0 CA--C 1.546 1.983 0 CA-C-N 120.78 1.627 . . . . 0.0 116.254 175.68 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_exo -53.22 -50.61 13.39 Favored 'Trans proline' 0 C--N 1.361 1.234 0 C-N-CA 125.18 3.92 . . . . 0.0 115.749 175.496 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 44.8 mttm -64.59 -26.24 68.32 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 113.931 1.085 . . . . 0.0 113.931 172.755 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 49.8 t -68.14 -60.56 2.38 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-O 116.988 -1.482 . . . . 0.0 109.794 171.759 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -49.02 -40.14 12.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 CA-C-N 121.323 1.874 . . . . 0.0 115.178 171.697 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.8 tptp -67.99 -48.27 66.23 Favored 'General case' 0 CA--C 1.552 1.036 0 N-CA-C 114.73 1.381 . . . . 0.0 114.73 174.948 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.14 -48.22 68.09 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 120.222 1.374 . . . . 0.0 110.238 167.451 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.444 ' CE2' HD11 ' A' ' 41' ' ' ILE . 2.9 t80 -55.57 -57.98 9.66 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.196 1.398 . . . . 0.0 112.49 175.924 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 53.3 tptt -64.75 -37.08 86.38 Favored 'General case' 0 CA--C 1.548 0.903 0 CA-C-N 119.81 1.186 . . . . 0.0 113.911 -177.18 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -74.82 -39.18 61.81 Favored 'General case' 0 CA--C 1.554 1.097 0 O-C-N 120.015 -1.678 . . . . 0.0 113.87 175.783 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.7 m -62.46 -34.35 76.65 Favored 'General case' 0 CA--C 1.551 0.982 0 N-CA-C 114.106 1.151 . . . . 0.0 114.106 165.066 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 15.1 t -54.75 -46.08 74.27 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 120.196 1.362 . . . . 0.0 113.551 165.523 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -54.32 -48.13 71.72 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-O 118.044 -0.979 . . . . 0.0 112.939 169.122 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 34.7 mm -56.55 -49.19 78.69 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.176 0 CA-C-N 119.534 1.061 . . . . 0.0 113.3 170.155 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.84 -45.01 86.86 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 114.216 1.191 . . . . 0.0 114.216 176.076 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 39.8 m-80 -68.52 -25.16 64.8 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 114.542 1.312 . . . . 0.0 114.542 174.113 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -67.29 -46.15 74.46 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 120.012 1.278 . . . . 0.0 112.004 162.823 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 94.3 t -65.49 -55.67 18.87 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.772 0 CA-C-O 117.236 -1.364 . . . . 0.0 113.674 176.219 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 29.2 ptt180 -68.18 -14.66 63.15 Favored 'General case' 0 CA--C 1.549 0.938 0 CA-C-N 122.177 2.262 . . . . 0.0 115.419 -176.674 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -79.73 -33.71 40.64 Favored 'General case' 0 CA--C 1.545 0.775 0 O-C-N 120.784 -1.197 . . . . 0.0 113.226 165.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -84.53 -48.68 9.32 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.202 1.001 . . . . 0.0 112.479 176.726 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -119.42 -56.31 2.07 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-O 117.865 -1.064 . . . . 0.0 113.273 -176.467 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . . . . . . . . 1 C--N 1.234 -4.439 0 CA-C-N 119.96 1.255 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.1 ttm . . . . . 0 CA--C 1.551 0.984 0 N-CA-C 114.433 1.272 . . . . 0.0 114.433 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 10.4 mp -69.71 63.42 0.19 Allowed 'General case' 0 CA--C 1.559 1.298 0 CA-C-O 124.785 2.231 . . . . 0.0 116.053 -179.647 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 65.1 tp60 -57.29 -36.86 71.59 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 111.757 -2.474 . . . . 0.0 113.473 176.913 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 60.2 tttm -60.72 -42.31 97.0 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.616 1.166 . . . . 0.0 112.919 173.845 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 28.9 mmtm -68.83 -41.7 78.22 Favored 'General case' 0 C--O 1.244 0.81 0 CA-C-N 120.662 1.573 . . . . 0.0 113.769 175.934 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.5 mt -54.67 -56.66 9.34 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 169.645 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.553 ' O ' ' HB1' ' A' ' 11' ' ' ALA . 38.6 mt-10 -71.87 -7.03 46.01 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 115.213 1.56 . . . . 0.0 115.213 179.577 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 81.0 mt-10 -76.23 -39.1 55.41 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 124.714 3.415 . . . . 0.0 113.51 161.502 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -83.01 -51.58 7.43 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 119.779 1.172 . . . . 0.0 112.621 173.821 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.85 12.68 0.36 Allowed 'General case' 0 CA--C 1.558 1.255 0 N-CA-C 116.984 2.216 . . . . 0.0 116.984 163.547 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.553 ' HB1' ' O ' ' A' ' 7' ' ' GLU . . . -67.08 -43.01 83.66 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 117.952 -2.968 . . . . 0.0 114.015 150.215 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 53.6 mttp -61.2 -53.43 57.06 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 114.46 -1.245 . . . . 0.0 114.068 -159.097 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . 0.257 3.2 m-85 61.55 -32.59 0.08 Allowed 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 117.781 2.511 . . . . 0.0 117.781 165.373 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.7 pttt -65.47 -37.93 88.28 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 119.591 1.087 . . . . 0.0 110.581 157.385 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -88.89 65.75 7.7 Favored 'General case' 0 CA--C 1.549 0.924 0 CA-C-O 125.522 2.582 . . . . 0.0 110.409 170.267 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.421 ' O ' ' HB2' ' A' ' 20' ' ' LYS . . . -59.93 -39.26 84.87 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 108.702 -3.863 . . . . 0.0 113.999 -175.85 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 29.8 ttm -67.23 -33.63 75.77 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.085 0.954 . . . . 0.0 112.441 176.049 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 45.0 mt -78.73 -49.07 13.71 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 123.429 0.692 . . . . 0.0 111.681 -178.583 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.06 -32.24 67.84 Favored 'General case' 0 CA--C 1.552 1.041 0 CA-C-N 119.496 1.044 . . . . 0.0 113.722 163.378 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.421 ' HB2' ' O ' ' A' ' 16' ' ' ALA . 0.3 OUTLIER -68.82 -27.15 65.59 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 122.244 2.293 . . . . 0.0 112.775 170.992 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 20.9 m -63.85 -36.25 83.3 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 121.367 1.894 . . . . 0.0 114.026 160.417 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . 0.272 0.1 OUTLIER -50.28 -47.29 55.43 Favored 'General case' 0 N--CA 1.483 1.182 0 CA-C-N 120.149 1.341 . . . . 0.0 111.707 161.892 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.263 3.5 m-30 -74.01 -29.45 61.96 Favored 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 113.828 1.047 . . . . 0.0 113.828 -177.051 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -59.0 -43.44 91.49 Favored 'General case' 0 N--CA 1.476 0.825 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 161.826 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.64 -38.74 90.41 Favored Glycine 0 CA--C 1.532 1.129 0 N-CA-C 115.103 0.801 . . . . 0.0 115.103 173.746 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.36 -36.28 83.17 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 118.259 1.029 . . . . 0.0 113.11 171.802 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -66.87 69.78 0.08 Allowed 'General case' 0 CA--C 1.558 1.276 0 CA-C-O 122.813 1.292 . . . . 0.0 113.335 169.873 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.3 mmm180 -111.83 117.58 33.19 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 119.654 -1.904 . . . . 0.0 112.162 165.033 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -154.91 -40.98 0.09 Allowed 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 114.303 -1.317 . . . . 0.0 114.187 -168.611 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -64.27 -83.9 0.02 OUTLIER 'General case' 0 CA--C 1.552 1.045 0 N-CA-C 116.782 2.141 . . . . 0.0 116.782 -176.235 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -170.16 -39.71 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.075 1.35 . . . . 0.0 113.203 -171.334 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -69.32 152.8 44.55 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 115.751 1.76 . . . . 0.0 115.751 -174.663 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 82.0 p -76.17 142.02 41.69 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.805 174.171 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 17.6 p -64.77 -32.74 74.57 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 113.925 1.083 . . . . 0.0 113.925 -171.496 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -71.21 -29.15 64.8 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-O 117.082 -1.437 . . . . 0.0 114.715 175.544 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -72.2 -42.53 65.68 Favored 'General case' 0 CA--C 1.549 0.939 0 CA-C-N 122.827 2.558 . . . . 0.0 111.026 172.031 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.548 ' O ' HD13 ' A' ' 41' ' ' ILE . 42.8 ttt-85 -63.04 -46.51 87.19 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 114.361 -1.29 . . . . 0.0 110.976 173.933 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -84.19 0.73 47.59 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 116.859 2.17 . . . . 0.0 116.859 171.722 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.63 -27.87 64.39 Favored 'General case' 0 CA--C 1.544 0.739 0 O-C-N 119.372 -2.08 . . . . 0.0 112.649 149.297 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 49.0 mtt180 -76.23 -44.73 36.25 Favored 'General case' 0 CA--C 1.553 1.092 0 N-CA-C 113.801 1.038 . . . . 0.0 113.801 165.541 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.548 HD13 ' O ' ' A' ' 37' ' ' ARG 0.278 3.3 mp -65.37 89.09 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.55 0.953 0 CA-C-O 127.023 3.297 . . . . 0.0 113.505 168.928 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.2 mptt -83.38 -9.02 59.3 Favored 'General case' 0 CA--C 1.543 0.685 1 CA-C-N 107.209 -4.541 . . . . 0.0 116.218 -173.284 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 46.5 mm -58.44 -40.63 79.11 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.847 0 N-CA-C 115.341 1.608 . . . . 0.0 115.341 -158.08 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -176.95 159.86 26.62 Favored Glycine 0 CA--C 1.543 1.825 0 CA-C-O 117.897 -1.502 . . . . 0.0 115.328 174.216 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_exo -50.97 -46.32 31.4 Favored 'Trans proline' 0 C--N 1.361 1.198 0 C-N-CA 125.202 3.935 . . . . 0.0 115.534 175.657 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.23 -24.35 63.07 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 114.533 1.309 . . . . 0.0 114.533 173.263 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.78 -53.1 19.86 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-O 118.179 -0.915 . . . . 0.0 109.979 172.091 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -52.59 -40.76 34.87 Favored 'Isoleucine or valine' 0 C--N 1.351 0.638 0 N-CA-C 114.522 1.304 . . . . 0.0 114.522 167.952 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.53 -46.25 83.69 Favored 'General case' 0 CA--C 1.554 1.122 0 N-CA-C 115.087 1.514 . . . . 0.0 115.087 175.193 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.15 -47.76 80.37 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 120.296 1.407 . . . . 0.0 111.459 167.871 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.435 ' CE2' HD11 ' A' ' 41' ' ' ILE . 2.1 t80 -54.06 -54.39 40.0 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.935 1.294 . . . . 0.0 111.979 175.555 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.0 mmtt -63.43 -40.5 97.34 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 114.776 1.398 . . . . 0.0 114.776 179.143 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.431 ' O ' HD13 ' A' ' 57' ' ' ILE . 65.6 m-20 -56.42 -59.25 5.24 Favored 'General case' 0 C--N 1.352 0.69 0 CA-C-N 119.825 1.193 . . . . 0.0 112.405 170.855 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 19.4 m -60.75 -29.61 69.51 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 114.915 1.45 . . . . 0.0 114.915 175.566 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 43.6 t -57.51 -51.01 71.22 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 121.445 1.93 . . . . 0.0 113.245 165.637 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -63.44 -34.23 77.29 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-O 118.184 -0.912 . . . . 0.0 113.433 175.813 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.431 HD13 ' O ' ' A' ' 53' ' ' ASP . 1.8 mp -60.87 -52.49 61.01 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 CA-C-N 119.973 1.26 . . . . 0.0 113.364 163.684 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -52.49 -45.16 66.05 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 119.767 1.167 . . . . 0.0 114.092 177.196 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 24.3 m-80 -65.14 -42.83 93.44 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 113.644 0.979 . . . . 0.0 113.644 172.239 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -64.68 -43.09 94.66 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 173.978 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 78.3 t -62.12 -40.39 87.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 CA-C-N 119.748 1.158 . . . . 0.0 112.371 172.0 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 6.1 tpm_? -61.57 -35.64 78.36 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-N 119.604 1.093 . . . . 0.0 113.493 170.798 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.98 -37.0 67.19 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 114.048 1.129 . . . . 0.0 114.048 169.407 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -69.47 -42.55 74.7 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 119.76 1.164 . . . . 0.0 113.678 171.486 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -125.33 117.15 23.14 Favored 'General case' 0 CA--C 1.549 0.91 0 O-C-N 120.64 -1.288 . . . . 0.0 113.407 179.302 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . . . . . . . . 1 C--N 1.228 -4.694 0 O-C-N 121.28 -0.887 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.3 mpp? . . . . . 0 CA--C 1.549 0.912 0 N-CA-C 113.588 0.959 . . . . 0.0 113.588 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.492 ' O ' HD13 ' A' ' 6' ' ' ILE . 32.3 mt -69.6 -41.33 75.9 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.054 0.941 . . . . 0.0 113.269 -178.139 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 23.9 mp0 -58.39 -38.65 77.75 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.286 1.434 . . . . 0.0 113.259 176.279 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.1 tptp -59.4 -37.11 77.18 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.187 1.395 . . . . 0.0 113.109 171.192 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.9 mmmp? -71.17 -41.57 70.2 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 115.376 1.621 . . . . 0.0 115.376 174.979 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.492 HD13 ' O ' ' A' ' 2' ' ' LEU . 5.3 mp -59.03 -48.25 87.29 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.298 0 CA-C-N 121.296 1.862 . . . . 0.0 109.557 168.094 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -57.37 -37.02 71.99 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-O 117.371 -1.3 . . . . 0.0 112.618 174.281 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -70.77 -45.67 64.31 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 122.555 2.434 . . . . 0.0 114.761 172.578 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -73.33 -52.25 14.56 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 121.933 2.151 . . . . 0.0 113.022 177.483 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.24 5.09 2.36 Favored 'General case' 0 CA--C 1.556 1.185 0 N-CA-C 116.928 2.196 . . . . 0.0 116.928 165.381 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.63 -43.77 46.17 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 117.651 -3.156 . . . . 0.0 112.676 150.06 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 38.9 mtmm -76.65 60.81 1.72 Allowed 'General case' 0 CA--C 1.548 0.881 0 CA-C-O 122.852 1.311 . . . . 0.0 112.511 -173.653 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -61.08 -11.44 8.61 Favored 'General case' 0 CA--C 1.548 0.882 0 N-CA-C 115.403 1.631 . . . . 0.0 115.403 176.311 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.9 ttpt -64.73 -37.76 88.71 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 123.999 0.92 . . . . 0.0 111.49 162.717 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -88.48 68.01 8.69 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-O 124.72 2.2 . . . . 0.0 110.184 173.989 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.42 ' O ' ' HB2' ' A' ' 20' ' ' LYS . . . -56.58 -44.71 81.29 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 109.876 -3.329 . . . . 0.0 114.563 -170.463 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 60.9 mtp -67.75 -28.7 67.86 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 113.332 0.864 . . . . 0.0 113.332 176.669 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 70.5 mt -86.9 -42.85 12.87 Favored 'General case' 0 C--O 1.236 0.392 0 O-C-N 121.528 -0.732 . . . . 0.0 112.272 -174.884 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.0 -32.13 73.57 Favored 'General case' 0 CA--C 1.55 0.963 0 O-C-N 121.178 -0.951 . . . . 0.0 113.05 161.277 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.42 ' HB2' ' O ' ' A' ' 16' ' ' ALA . 0.7 OUTLIER -70.67 -24.18 62.64 Favored 'General case' 0 CA--C 1.549 0.909 0 CA-C-N 122.497 2.408 . . . . 0.0 112.328 171.202 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.7 t -65.95 -39.12 90.18 Favored 'General case' 0 CA--C 1.549 0.938 0 CA-C-N 119.482 1.037 . . . . 0.0 113.202 164.253 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -47.63 -53.17 15.54 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.101 0.56 . . . . 0.0 110.974 158.891 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.432 ' O ' ' HD2' ' A' ' 27' ' ' TYR 0.281 4.3 m-30 -72.75 -22.58 60.83 Favored 'General case' 0 CA--C 1.552 1.04 0 N-CA-C 114.266 1.209 . . . . 0.0 114.266 -175.975 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -58.35 -46.47 86.21 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 120.076 1.307 . . . . 0.0 112.975 158.085 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.46 -41.9 99.65 Favored Glycine 0 CA--C 1.533 1.199 0 N-CA-C 115.104 0.802 . . . . 0.0 115.104 172.475 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.44 -43.44 97.4 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 113.499 0.926 . . . . 0.0 113.499 174.044 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.432 ' HD2' ' O ' ' A' ' 23' ' ' TYR . 58.9 m-85 -72.57 72.24 1.0 Allowed 'General case' 0 CA--C 1.549 0.931 0 CA-C-O 123.267 1.508 . . . . 0.0 113.547 172.539 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 60.0 ttt-85 -95.31 122.88 38.48 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 114.709 -1.132 . . . . 0.0 110.167 166.953 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -86.4 -92.08 0.1 Allowed 'General case' 0 CA--C 1.545 0.772 0 CA-C-O 118.521 -0.752 . . . . 0.0 112.789 -166.251 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -79.91 -77.11 0.19 Allowed 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 120.708 1.594 . . . . 0.0 113.178 -176.361 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -162.87 37.97 0.1 Allowed 'General case' 0 CA--C 1.556 1.183 0 C-N-CA 124.424 1.09 . . . . 0.0 111.901 175.424 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 24.8 pm0 -72.26 159.52 33.93 Favored 'General case' 0 CA--C 1.55 0.959 0 O-C-N 120.527 -1.358 . . . . 0.0 114.334 173.511 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.456 ' O ' ' HG2' ' A' ' 36' ' ' GLU . 63.6 p -85.4 138.94 31.93 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 119.934 -1.729 . . . . 0.0 110.617 173.549 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 72.7 m -63.29 -40.72 98.17 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -179.752 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -76.0 -10.01 59.07 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 115.2 1.556 . . . . 0.0 115.2 -178.406 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.456 ' HG2' ' O ' ' A' ' 33' ' ' THR . 8.8 pt-20 -73.15 -46.98 47.78 Favored 'General case' 0 CA--C 1.551 0.99 0 CA-C-N 123.029 2.65 . . . . 0.0 110.743 163.26 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.496 ' O ' HD13 ' A' ' 41' ' ' ILE . 64.7 mtm180 -62.69 -50.12 72.42 Favored 'General case' 0 C--N 1.344 0.354 0 CA-C-N 114.572 -1.194 . . . . 0.0 110.428 173.809 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -90.41 15.73 10.11 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 115.577 1.695 . . . . 0.0 115.577 175.794 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.41 -54.82 19.95 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 119.523 -1.986 . . . . 0.0 110.383 136.348 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 48.7 tpt85 -64.89 -45.99 83.64 Favored 'General case' 0 CA--C 1.558 1.253 0 N-CA-C 115.167 1.543 . . . . 0.0 115.167 176.637 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.496 HD13 ' O ' ' A' ' 37' ' ' ARG . 3.2 mp -67.28 90.79 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.664 0 CA-C-O 126.575 3.083 . . . . 0.0 111.742 166.63 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.27 42.31 3.1 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-N 109.007 -3.724 . . . . 0.0 112.859 177.975 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 67.5 mt -73.68 -37.85 50.21 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.866 0 O-C-N 121.042 -1.036 . . . . 0.0 111.89 179.66 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -168.38 161.02 34.74 Favored Glycine 0 CA--C 1.547 2.057 0 CA-C-O 118.319 -1.267 . . . . 0.0 115.406 175.216 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_exo -53.51 -48.34 22.47 Favored 'Trans proline' 0 C--N 1.361 1.201 0 C-N-CA 124.954 3.769 . . . . 0.0 115.277 173.279 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.29 -32.57 72.41 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.951 0.901 . . . . 0.0 113.324 172.936 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 15.2 t -65.66 -60.26 3.09 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 117.457 -1.259 . . . . 0.0 109.932 175.262 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -51.26 -39.68 21.46 Favored 'Isoleucine or valine' 0 C--N 1.353 0.731 0 CA-C-N 120.466 1.485 . . . . 0.0 114.598 173.464 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.5 tptp -66.9 -50.2 63.19 Favored 'General case' 0 CA--C 1.553 1.07 0 CA-C-O 117.215 -1.374 . . . . 0.0 114.556 174.963 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.31 -47.86 65.71 Favored 'General case' 0 N--CA 1.482 1.137 0 CA-C-N 120.789 1.631 . . . . 0.0 111.058 168.503 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.421 ' CE2' HD11 ' A' ' 41' ' ' ILE . 2.7 t80 -54.28 -54.83 34.9 Favored 'General case' 0 C--N 1.35 0.62 0 C-N-CA 125.304 1.441 . . . . 0.0 112.152 176.525 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 52.9 tptt -65.46 -34.86 79.28 Favored 'General case' 0 CA--C 1.552 1.036 0 N-CA-C 113.664 0.987 . . . . 0.0 113.664 179.72 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -64.75 -50.37 67.11 Favored 'General case' 0 CA--C 1.551 0.999 0 O-C-N 120.452 -1.405 . . . . 0.0 113.188 173.203 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 9.8 m -63.29 -27.55 69.41 Favored 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 114.562 1.319 . . . . 0.0 114.562 170.106 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 47.4 t -59.79 -42.28 93.03 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 120.323 1.42 . . . . 0.0 113.014 163.892 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -59.05 -37.28 76.62 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-O 117.938 -1.03 . . . . 0.0 113.486 167.527 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 25.4 mm -59.13 -51.96 66.37 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.312 0 CA-C-N 121.268 1.849 . . . . 0.0 113.806 164.492 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.02 -40.15 66.77 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 176.414 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -67.78 -42.04 82.28 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 114.443 1.275 . . . . 0.0 114.443 169.905 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -60.29 -46.21 90.65 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 120.404 1.456 . . . . 0.0 112.857 170.298 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 91.3 t -61.86 -38.27 80.17 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.856 0 CA-C-N 119.421 1.01 . . . . 0.0 112.804 173.487 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 4.4 tpp180 -61.75 -39.89 93.2 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 113.236 0.828 . . . . 0.0 113.236 172.279 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.75 -49.46 20.89 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 113.851 1.056 . . . . 0.0 113.851 172.48 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -76.06 61.91 1.6 Allowed 'General case' 0 CA--C 1.551 1.019 0 CA-C-O 122.985 1.374 . . . . 0.0 113.921 -177.233 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -107.05 -52.4 2.77 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-O 117.958 -1.02 . . . . 0.0 113.389 175.136 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . . . . . . . . 1 C--N 1.233 -4.477 0 CA-C-N 119.84 1.2 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 34.1 ttm . . . . . 0 CA--C 1.55 0.969 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.483 ' O ' HD13 ' A' ' 6' ' ' ILE . 63.2 mt 48.46 -100.6 0.07 Allowed 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 126.541 1.936 . . . . 0.0 114.636 179.327 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -62.45 -42.64 99.61 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.696 1.198 . . . . 0.0 111.848 -177.233 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 54.8 mmtt -65.61 -24.57 67.09 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 175.006 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.2 tmtm? -76.31 -40.88 50.31 Favored 'General case' 0 CA--C 1.549 0.931 0 CA-C-N 118.652 0.66 . . . . 0.0 112.056 175.515 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.483 HD13 ' O ' ' A' ' 2' ' ' LEU . 4.0 mp -60.36 -48.47 88.16 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 CA-C-O 118.163 -0.922 . . . . 0.0 109.666 165.616 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -56.13 -57.66 11.22 Favored 'General case' 0 C--N 1.35 0.602 0 CA-C-O 115.706 -2.093 . . . . 0.0 112.297 176.101 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.422 ' O ' ' HG3' ' A' ' 12' ' ' LYS 0.356 1.4 pp20? -69.73 -14.93 63.04 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 124.676 3.398 . . . . 0.0 115.077 -179.548 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.08 -61.95 1.63 Allowed 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 125.355 3.707 . . . . 0.0 113.419 163.039 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.3 -2.08 4.05 Favored 'General case' 0 CA--C 1.555 1.163 0 N-CA-C 117.384 2.364 . . . . 0.0 117.384 175.218 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -84.12 -28.51 27.42 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 124.053 3.115 . . . . 0.0 114.781 156.612 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.422 ' HG3' ' O ' ' A' ' 8' ' ' GLU . 42.4 mttp -68.69 -51.11 45.3 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 120.168 1.349 . . . . 0.0 112.886 -176.601 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 63.13 -31.77 0.1 Allowed 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 126.536 1.934 . . . . 0.0 116.174 -177.755 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.8 mttp -61.33 -37.53 83.63 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 126.64 1.976 . . . . 0.0 112.367 168.59 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 6.7 m-30 -76.49 65.34 2.33 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-O 123.877 1.799 . . . . 0.0 111.176 165.343 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.53 -47.09 82.94 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 111.623 -2.535 . . . . 0.0 116.074 -166.479 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 47.8 mtm -69.89 -33.35 72.1 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.407 1.083 . . . . 0.0 113.394 177.747 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 24.5 mt -77.68 -45.48 24.78 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-O 121.418 0.627 . . . . 0.0 111.439 -177.006 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.49 -38.09 76.89 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 163.597 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.2 ttpp -62.39 -39.76 94.27 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 121.016 1.735 . . . . 0.0 111.151 169.823 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 12.7 m -54.25 -41.64 69.0 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 122.693 2.497 . . . . 0.0 114.116 167.408 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -48.62 -53.96 16.48 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 118.892 0.769 . . . . 0.0 111.69 164.792 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.259 7.4 m-30 -74.11 -25.38 59.75 Favored 'General case' 0 CA--C 1.55 0.974 0 N-CA-C 114.412 1.264 . . . . 0.0 114.412 -175.117 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -61.93 -36.72 82.23 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.251 1.02 . . . . 0.0 113.319 161.858 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.4 -44.38 65.24 Favored Glycine 0 CA--C 1.534 1.244 0 CA-C-O 119.305 -0.72 . . . . 0.0 114.714 168.435 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.33 -33.39 75.43 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 114.394 1.257 . . . . 0.0 114.394 176.375 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -82.04 61.79 5.49 Favored 'General case' 0 CA--C 1.551 0.988 0 O-C-N 120.595 -1.315 . . . . 0.0 113.455 167.83 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 58.6 ttt180 -94.01 145.51 24.61 Favored 'General case' 0 CA--C 1.549 0.922 0 O-C-N 121.37 -0.831 . . . . 0.0 111.923 170.095 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -98.2 151.39 20.48 Favored 'General case' 0 CA--C 1.545 0.781 0 O-C-N 121.368 -0.833 . . . . 0.0 110.828 177.565 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -68.91 44.14 0.04 OUTLIER 'General case' 0 CA--C 1.556 1.201 0 N-CA-C 115.869 1.804 . . . . 0.0 115.869 -176.988 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -154.54 -68.42 0.13 Allowed 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.102 1.361 . . . . 0.0 112.592 -174.148 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -66.79 151.72 46.93 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 116.055 1.872 . . . . 0.0 116.055 174.524 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 71.4 p -94.42 137.95 32.95 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 114.28 -1.327 . . . . 0.0 110.038 170.543 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.1 p -60.12 -27.36 66.98 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 114.439 1.274 . . . . 0.0 114.439 -176.777 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 56.6 mp0 -65.4 -25.1 67.4 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.544 1.137 . . . . 0.0 113.886 176.954 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -66.76 -55.84 13.19 Favored 'General case' 0 CA--C 1.547 0.849 0 CA-C-N 121.094 1.77 . . . . 0.0 111.011 173.192 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.543 ' O ' HD13 ' A' ' 41' ' ' ILE . 45.6 mtm180 -58.14 -49.19 77.83 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 113.05 -1.887 . . . . 0.0 111.658 172.976 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -84.28 2.33 40.61 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 116.429 2.011 . . . . 0.0 116.429 178.011 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.97 -33.21 71.78 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 119.677 -1.89 . . . . 0.0 112.305 147.603 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 81.3 mtp180 -78.91 -43.27 25.15 Favored 'General case' 0 CA--C 1.555 1.168 0 N-CA-C 115.54 1.681 . . . . 0.0 115.54 167.085 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.543 HD13 ' O ' ' A' ' 37' ' ' ARG 0.296 3.3 mp -63.99 90.22 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.549 0.94 0 CA-C-O 126.836 3.208 . . . . 0.0 114.298 171.136 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -98.71 13.29 32.75 Favored 'General case' 0 CA--C 1.546 0.825 1 CA-C-N 107.327 -4.488 . . . . 0.0 115.758 -177.002 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 47.8 mm -64.82 -37.28 79.76 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.918 0 O-C-N 120.899 -1.125 . . . . 0.0 113.815 -170.312 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -176.08 160.03 27.72 Favored Glycine 0 CA--C 1.544 1.887 0 CA-C-O 117.912 -1.494 . . . . 0.0 114.845 173.056 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_exo -52.59 -49.49 17.31 Favored 'Trans proline' 0 C--N 1.36 1.181 0 C-N-CA 124.889 3.726 . . . . 0.0 115.528 175.662 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 23.8 tttm -73.43 -18.67 61.11 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 123.32 0.648 . . . . 0.0 112.588 178.088 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.66 -55.95 8.6 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.141 0.976 . . . . 0.0 109.915 168.936 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -52.32 -39.56 28.49 Favored 'Isoleucine or valine' 0 C--N 1.353 0.733 0 N-CA-C 114.726 1.38 . . . . 0.0 114.726 170.487 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -63.43 -51.08 67.23 Favored 'General case' 0 CA--C 1.551 1.0 0 N-CA-C 114.497 1.295 . . . . 0.0 114.497 171.816 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.17 -47.75 62.09 Favored 'General case' 0 N--CA 1.483 1.182 0 CA-C-N 121.578 1.99 . . . . 0.0 110.684 169.307 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.443 ' CE2' HD11 ' A' ' 41' ' ' ILE . 2.2 t80 -54.85 -57.58 11.02 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.281 1.432 . . . . 0.0 112.732 175.687 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 47.8 tptt -65.58 -36.78 84.76 Favored 'General case' 0 CA--C 1.55 0.959 0 N-CA-C 114.064 1.135 . . . . 0.0 114.064 -178.045 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -71.45 -42.49 68.11 Favored 'General case' 0 CA--C 1.549 0.904 0 O-C-N 120.046 -1.659 . . . . 0.0 113.711 175.507 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 2.2 m -61.34 -32.64 72.53 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 113.968 1.099 . . . . 0.0 113.968 165.549 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 47.7 t -59.89 -41.54 91.83 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 120.463 1.483 . . . . 0.0 113.674 166.586 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -54.06 -48.72 70.31 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 119.685 1.13 . . . . 0.0 112.614 167.117 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 24.6 mm -58.55 -47.5 88.27 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 N-CA-C 113.3 0.852 . . . . 0.0 113.3 172.752 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.05 -49.78 68.22 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 123.822 0.849 . . . . 0.0 113.24 173.649 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.03 -36.18 83.53 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 113.083 0.772 . . . . 0.0 113.083 176.25 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -66.53 -40.91 89.37 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 119.827 1.194 . . . . 0.0 113.491 171.097 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 92.5 t -64.58 -53.25 44.75 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.726 0 CA-C-N 119.212 0.914 . . . . 0.0 112.194 171.82 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? -65.61 -16.99 64.26 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 114.998 1.481 . . . . 0.0 114.998 -177.764 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.83 -28.9 67.15 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 113.937 1.088 . . . . 0.0 113.937 166.451 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -112.97 -40.28 4.01 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 114.182 1.179 . . . . 0.0 114.182 178.341 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -124.34 123.06 39.37 Favored 'General case' 0 CA--C 1.546 0.805 0 O-C-N 120.437 -1.414 . . . . 0.0 112.96 -176.105 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . . . . . . . . 1 C--N 1.23 -4.61 0 O-C-N 121.927 -0.483 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.4 ptp . . . . . 0 CA--C 1.555 1.153 0 N-CA-C 114.944 1.461 . . . . 0.0 114.944 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.45 ' O ' HD13 ' A' ' 6' ' ' ILE . 81.8 mt 63.51 53.82 2.04 Favored 'General case' 0 CA--C 1.554 1.105 0 C-N-CA 126.37 1.868 . . . . 0.0 115.721 174.498 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -54.03 -49.45 68.89 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 115.098 1.518 . . . . 0.0 115.098 -178.734 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -55.66 -37.19 67.93 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.24 1.416 . . . . 0.0 112.742 177.728 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.5 mmmp? -66.17 -50.49 63.74 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 116.823 -1.56 . . . . 0.0 113.279 173.621 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.45 HD13 ' O ' ' A' ' 2' ' ' LEU . 5.3 mp -60.04 -46.97 93.6 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.242 0 CA-C-N 121.694 2.043 . . . . 0.0 110.538 172.602 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -57.27 -48.65 78.34 Favored 'General case' 0 C--N 1.344 0.348 0 CA-C-O 114.989 -2.434 . . . . 0.0 112.742 178.772 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -83.51 -24.99 31.45 Favored 'General case' 0 CA--C 1.549 0.924 0 CA-C-N 125.976 3.989 . . . . 0.0 115.451 175.679 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -73.99 -32.73 63.54 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 122.508 2.413 . . . . 0.0 112.685 175.447 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.71 -87.74 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.863 0 CA-C-O 116.966 -1.492 . . . . 0.0 114.809 147.59 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.51 -20.65 8.16 Favored 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 119.296 3.073 . . . . 0.0 119.296 -149.874 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.3 ttmt -69.82 -28.02 65.36 Favored 'General case' 0 CA--C 1.55 0.959 0 CA-C-N 119.076 0.853 . . . . 0.0 111.754 173.627 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 22.2 m-30 54.96 1.26 0.04 OUTLIER 'General case' 0 CA--C 1.551 0.983 0 N-CA-C 118.89 2.922 . . . . 0.0 118.89 171.305 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 31.3 mmtm -65.02 -48.45 73.86 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 120.76 1.618 . . . . 0.0 111.569 176.026 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -81.6 62.44 5.45 Favored 'General case' 0 CA--C 1.553 1.068 0 CA-C-O 123.246 1.498 . . . . 0.0 112.203 167.516 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.4 -40.89 83.62 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 115.748 1.758 . . . . 0.0 115.748 -174.176 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -68.62 -26.13 65.2 Favored 'General case' 0 CA--C 1.546 0.827 0 N-CA-C 113.391 0.886 . . . . 0.0 113.391 175.117 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 59.5 mt -86.65 -38.45 17.03 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 121.434 -0.792 . . . . 0.0 111.628 179.763 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.6 tmtt? -52.86 -44.2 66.65 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 114.42 1.267 . . . . 0.0 114.42 154.935 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -66.74 -25.2 66.39 Favored 'General case' 0 CA--C 1.557 1.226 0 O-C-N 119.695 -1.878 . . . . 0.0 112.139 173.418 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 7.2 t -68.43 -38.55 81.29 Favored 'General case' 0 CA--C 1.553 1.094 0 O-C-N 120.49 -1.382 . . . . 0.0 113.979 165.183 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.2 t -47.0 -51.13 17.92 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 119.122 0.873 . . . . 0.0 110.519 159.279 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.314 6.7 m-30 -74.42 -21.37 59.66 Favored 'General case' 0 CA--C 1.551 0.998 0 N-CA-C 114.611 1.337 . . . . 0.0 114.611 -176.351 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -58.3 -45.32 88.21 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 119.901 1.228 . . . . 0.0 113.237 155.734 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.59 -45.99 95.27 Favored Glycine 0 CA--C 1.533 1.206 0 N-CA-C 114.747 0.659 . . . . 0.0 114.747 171.478 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.06 -39.92 91.68 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 175.06 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 36.4 m-85 -69.89 75.2 0.46 Allowed 'General case' 0 CA--C 1.549 0.914 0 CA-C-O 122.991 1.377 . . . . 0.0 113.472 168.828 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 67.6 ttt-85 -99.96 116.97 33.24 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-O 121.998 0.904 . . . . 0.0 109.72 165.973 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -105.27 -76.57 0.6 Allowed 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.287 -157.634 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -72.45 -82.52 0.05 OUTLIER 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 124.25 1.02 . . . . 0.0 112.432 176.954 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -165.63 63.44 0.11 Allowed 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 125.704 1.602 . . . . 0.0 108.656 162.122 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -67.88 138.39 56.0 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 115.028 1.492 . . . . 0.0 115.028 -178.067 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.5 p -77.33 114.43 16.14 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-O 122.021 0.915 . . . . 0.0 111.257 170.282 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 93.7 m -56.77 -49.51 75.06 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 114.437 1.273 . . . . 0.0 114.437 -166.744 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.07 -30.47 67.72 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 114.299 1.222 . . . . 0.0 114.299 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -71.68 -46.63 58.26 Favored 'General case' 0 C--O 1.243 0.754 0 CA-C-N 121.456 1.935 . . . . 0.0 111.965 172.748 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.562 ' O ' HD13 ' A' ' 41' ' ' ILE . 27.3 ttp180 -57.81 -51.73 68.4 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 114.825 -1.079 . . . . 0.0 110.822 172.105 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -82.75 -0.98 50.17 Favored 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 116.985 2.217 . . . . 0.0 116.985 176.26 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.61 -38.04 86.13 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 119.402 -2.061 . . . . 0.0 112.166 150.942 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 56.3 mtt85 -71.66 -37.56 70.79 Favored 'General case' 0 CA--C 1.551 1.018 0 N-CA-C 114.39 1.256 . . . . 0.0 114.39 169.932 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.562 HD13 ' O ' ' A' ' 37' ' ' ARG 0.308 3.4 mp -72.55 84.37 0.4 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.951 0 CA-C-O 127.119 3.342 . . . . 0.0 113.4 167.626 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 29.7 mmtm -91.34 7.38 41.25 Favored 'General case' 0 CA--C 1.544 0.748 1 CA-C-N 107.152 -4.567 . . . . 0.0 116.288 -175.466 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 46.8 mm -66.05 -35.65 75.56 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.893 0 N-CA-C 113.992 1.108 . . . . 0.0 113.992 -168.146 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -173.81 156.53 24.02 Favored Glycine 0 CA--C 1.546 1.993 0 CA-C-O 117.738 -1.59 . . . . 0.0 115.16 173.476 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_exo -52.36 -46.92 29.73 Favored 'Trans proline' 0 C--N 1.361 1.2 0 C-N-CA 124.933 3.755 . . . . 0.0 115.671 174.929 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 49.9 tttm -71.42 -25.57 62.39 Favored 'General case' 0 CA--C 1.551 0.984 0 N-CA-C 112.813 0.672 . . . . 0.0 112.813 177.042 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 17.8 t -64.7 -59.0 4.75 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-O 117.425 -1.274 . . . . 0.0 109.384 169.846 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -49.02 -41.77 13.89 Favored 'Isoleucine or valine' 0 C--N 1.354 0.799 0 CA-C-N 120.21 1.368 . . . . 0.0 114.477 171.351 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -61.99 -54.42 41.91 Favored 'General case' 0 CA--C 1.558 1.277 0 N-CA-C 115.442 1.645 . . . . 0.0 115.442 174.979 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.08 -47.62 68.38 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 124.719 1.207 . . . . 0.0 110.555 169.096 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.436 ' CE2' HD11 ' A' ' 41' ' ' ILE . 2.8 t80 -54.31 -54.93 33.72 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.264 1.426 . . . . 0.0 112.559 175.396 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 59.3 tttm -56.74 -46.9 81.09 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.504 1.522 . . . . 0.0 112.972 -179.462 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -66.46 -47.26 73.66 Favored 'General case' 0 CA--C 1.552 1.044 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 178.667 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.8 m -61.08 -34.49 75.0 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 114.624 1.342 . . . . 0.0 114.624 169.353 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -65.72 -33.54 76.12 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 120.506 1.503 . . . . 0.0 112.748 172.607 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -58.81 -48.84 79.9 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 119.278 0.944 . . . . 0.0 112.4 163.862 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 23.2 mm -60.05 -41.23 85.66 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 N-CA-C 114.097 1.147 . . . . 0.0 114.097 174.478 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.23 -50.26 69.9 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.544 0.738 . . . . 0.0 112.824 171.63 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -61.88 -40.52 95.7 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 171.566 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -60.76 -52.6 64.4 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-O 117.205 -1.379 . . . . 0.0 114.063 172.233 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 34.0 m -66.61 -29.7 47.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 CA-C-N 121.825 2.102 . . . . 0.0 114.129 179.558 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 52.1 mtp85 -69.29 -34.37 74.6 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 114.032 1.123 . . . . 0.0 114.032 168.384 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -81.43 -51.38 8.37 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 119.84 1.2 . . . . 0.0 113.893 172.139 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -80.1 61.86 4.09 Favored 'General case' 0 CA--C 1.55 0.957 0 CA-C-O 123.205 1.478 . . . . 0.0 112.37 -177.081 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 10.8 tp60 -113.52 -43.95 3.27 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-O 117.819 -1.086 . . . . 0.0 113.928 -179.253 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . . . . . . . . 1 C--N 1.233 -4.485 0 CA-C-N 120.087 1.312 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.6 mmm . . . . . 0 CA--C 1.547 0.832 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.474 ' O ' HD13 ' A' ' 6' ' ' ILE . 46.2 mt -80.53 33.17 0.3 Allowed 'General case' 0 CA--C 1.554 1.105 0 O-C-N 119.978 -1.701 . . . . 0.0 115.4 -167.607 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 25.6 mm100 -62.81 -50.79 69.59 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 114.847 1.425 . . . . 0.0 114.847 -168.334 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 60.2 tttm -53.76 -39.33 65.25 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.109 0.964 . . . . 0.0 112.525 174.707 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -65.17 -43.78 90.6 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 124.86 1.264 . . . . 0.0 113.598 179.391 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.474 HD13 ' O ' ' A' ' 2' ' ' LEU . 4.7 mp -68.07 -53.17 31.55 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 CA-C-N 120.017 1.281 . . . . 0.0 110.448 166.85 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.72 -31.38 66.36 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-O 116.986 -1.483 . . . . 0.0 113.679 -175.486 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -85.12 -43.75 13.59 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-N 123.416 2.826 . . . . 0.0 114.981 167.938 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 47.0 mm-40 -89.24 14.03 11.94 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 123.861 3.028 . . . . 0.0 113.988 178.143 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.443 ' O ' ' HD1' ' A' ' 13' ' ' TYR . . . -86.54 -71.84 0.53 Allowed 'General case' 0 CA--C 1.549 0.914 0 O-C-N 118.846 -2.409 . . . . 0.0 116.538 124.633 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.44 -14.36 40.06 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 119.115 3.006 . . . . 0.0 119.115 -157.963 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 68.3 mttt -64.6 -39.44 93.72 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 121.985 2.175 . . . . 0.0 112.733 168.844 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.443 ' HD1' ' O ' ' A' ' 10' ' ' ALA . 0.2 OUTLIER 44.5 24.04 0.09 Allowed 'General case' 0 CA--C 1.553 1.058 0 N-CA-C 118.579 2.807 . . . . 0.0 118.579 178.999 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 31.8 mmtm -78.01 -56.13 4.74 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.317 1.047 . . . . 0.0 111.15 172.026 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.44 ' O ' ' HD3' ' A' ' 19' ' ' LYS . 47.6 m-85 -85.53 70.86 10.8 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-O 124.418 2.056 . . . . 0.0 110.251 170.05 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.29 -36.1 65.8 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 110.723 -2.944 . . . . 0.0 114.539 -171.763 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 35.9 ttm -64.34 -32.94 74.75 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 124.568 1.147 . . . . 0.0 113.283 174.279 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 69.7 mt -86.82 -36.46 18.5 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 120.897 -1.127 . . . . 0.0 112.263 -177.622 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.44 ' HD3' ' O ' ' A' ' 15' ' ' TYR . 10.2 mptt -59.72 -38.61 82.16 Favored 'General case' 0 CA--C 1.563 1.479 0 N-CA-C 113.361 0.875 . . . . 0.0 113.361 159.608 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.91 -30.69 70.08 Favored 'General case' 0 CA--C 1.555 1.138 0 O-C-N 118.815 -2.428 . . . . 0.0 111.684 167.456 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.444 ' O ' ' HD1' ' A' ' 51' ' ' PHE . 10.2 t -58.33 -39.56 79.76 Favored 'General case' 0 CA--C 1.553 1.092 0 CA-C-N 121.792 2.087 . . . . 0.0 112.561 164.823 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -46.6 -57.03 5.16 Favored 'General case' 0 N--CA 1.485 1.281 0 CA-C-N 120.029 1.286 . . . . 0.0 110.834 159.062 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.311 9.8 m-30 -69.97 -25.21 63.51 Favored 'General case' 0 CA--C 1.555 1.149 0 N-CA-C 115.698 1.74 . . . . 0.0 115.698 -174.577 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -65.57 -28.05 68.87 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 114.983 1.475 . . . . 0.0 114.983 160.799 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -78.09 -32.38 44.32 Favored Glycine 0 CA--C 1.534 1.266 0 CA-C-N 119.043 0.838 . . . . 0.0 114.559 167.267 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.68 -50.03 54.25 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 118.512 1.156 . . . . 0.0 113.884 174.554 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -78.52 59.36 2.4 Favored 'General case' 0 CA--C 1.553 1.069 0 CA-C-N 120.06 1.3 . . . . 0.0 114.022 -179.34 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 21.9 mmt180 -114.32 113.39 24.51 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 114.811 1.412 . . . . 0.0 114.811 -177.181 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -66.88 152.14 46.22 Favored 'General case' 0 CA--C 1.551 1.005 0 N-CA-C 115.854 1.798 . . . . 0.0 115.854 179.156 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -57.01 -23.77 48.73 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 118.194 2.665 . . . . 0.0 118.194 -160.811 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -69.27 -30.94 69.16 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 175.556 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -74.81 114.75 13.61 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 179.034 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.3 p -80.58 99.01 7.89 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-O 123.418 1.58 . . . . 0.0 109.109 168.872 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -64.13 -46.66 83.13 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 112.557 -2.111 . . . . 0.0 113.973 -157.532 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.9 pm0 -69.09 -29.76 67.92 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 113.985 1.106 . . . . 0.0 113.985 -178.961 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.4 mp0 -64.41 -53.27 51.06 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-O 122.696 1.236 . . . . 0.0 111.81 172.687 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.578 ' O ' HG13 ' A' ' 41' ' ' ILE . 52.1 mtt85 -62.02 -48.1 81.81 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 113.759 -1.564 . . . . 0.0 111.511 173.561 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.46 -5.69 46.33 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 122.557 2.435 . . . . 0.0 117.071 175.175 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.29 -41.04 86.1 Favored 'General case' 0 CA--C 1.546 0.818 0 O-C-N 119.597 -1.939 . . . . 0.0 112.236 151.887 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 -77.07 -17.5 58.7 Favored 'General case' 0 CA--C 1.556 1.183 0 N-CA-C 115.85 1.796 . . . . 0.0 115.85 172.011 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.578 HG13 ' O ' ' A' ' 37' ' ' ARG 0.32 62.5 mt -79.17 74.9 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 CA-C-O 126.871 3.224 . . . . 0.0 113.283 -179.858 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -95.96 37.87 1.21 Allowed 'General case' 0 CA--C 1.548 0.878 0 CA-C-N 109.308 -3.587 . . . . 0.0 114.053 -175.016 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 95.4 mt -74.53 -49.86 29.13 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.781 0 O-C-N 121.459 -0.776 . . . . 0.0 112.612 179.301 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -156.66 138.4 5.92 Favored Glycine 0 CA--C 1.544 1.874 0 CA-C-O 115.917 -2.602 . . . . 0.0 113.539 -179.825 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -50.55 -53.26 7.42 Favored 'Trans proline' 0 C--N 1.361 1.233 0 CA-C-N 124.184 3.992 . . . . 0.0 117.03 -178.209 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 39.5 mttm -63.13 -33.67 75.95 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 113.812 1.041 . . . . 0.0 113.812 172.8 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 3.6 t -64.26 -63.3 1.18 Allowed 'General case' 0 C--N 1.348 0.51 0 CA-C-O 115.461 -2.209 . . . . 0.0 108.064 176.122 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -49.23 -44.9 17.55 Favored 'Isoleucine or valine' 0 C--N 1.357 0.92 0 CA-C-N 122.359 2.345 . . . . 0.0 115.164 172.449 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -55.3 -61.78 2.11 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-N 121.284 1.856 . . . . 0.0 113.153 175.42 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.21 -51.05 63.39 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 123.946 0.898 . . . . 0.0 111.193 175.309 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.444 ' HD1' ' O ' ' A' ' 21' ' ' CYS . 62.5 t80 -58.89 -50.6 73.41 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 114.844 1.424 . . . . 0.0 114.844 178.555 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 20.1 pttp -66.26 -35.86 81.5 Favored 'General case' 0 CA--C 1.551 0.984 0 CA-C-N 119.958 1.253 . . . . 0.0 111.476 -178.929 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 48.4 m-20 -71.45 -40.77 70.13 Favored 'General case' 0 CA--C 1.547 0.864 0 O-C-N 121.463 -0.773 . . . . 0.0 111.666 178.679 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 4.6 m -63.71 -31.15 72.23 Favored 'General case' 0 CA--C 1.553 1.089 0 N-CA-C 114.82 1.415 . . . . 0.0 114.82 164.861 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 3.2 m -56.71 -41.27 77.14 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 122.098 2.227 . . . . 0.0 113.767 162.279 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -56.75 -44.97 82.26 Favored 'General case' 0 CA--C 1.549 0.922 0 CA-C-O 117.88 -1.057 . . . . 0.0 112.438 167.01 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 30.6 mm -56.86 -48.34 81.47 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 CA-C-N 120.757 1.617 . . . . 0.0 113.921 167.997 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.3 -48.67 71.04 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 173.442 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -65.85 -35.79 81.65 Favored 'General case' 0 CA--C 1.549 0.923 0 N-CA-C 113.714 1.005 . . . . 0.0 113.714 173.724 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -60.1 -46.38 89.8 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 119.481 1.037 . . . . 0.0 112.244 169.354 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 87.9 t -62.6 -39.25 83.9 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.858 0 CA-C-N 119.14 0.882 . . . . 0.0 112.913 172.878 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -60.23 -40.4 90.07 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 119.842 1.201 . . . . 0.0 113.543 170.834 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.4 -52.24 11.22 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 173.679 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -79.9 69.65 6.3 Favored 'General case' 0 CA--C 1.552 1.02 0 CA-C-O 123.751 1.739 . . . . 0.0 112.56 -176.102 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -104.56 -51.79 3.02 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 114.761 -1.109 . . . . 0.0 113.384 173.526 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . . . . . . . . 1 C--N 1.233 -4.469 0 CA-C-N 119.816 1.189 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.548 0.895 0 N-CA-C 114.781 1.4 . . . . 0.0 114.781 . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 65.4 mt -68.53 -18.58 64.39 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 124.686 1.194 . . . . 0.0 113.833 176.917 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 23.6 mp0 -53.95 -40.51 66.86 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.845 1.658 . . . . 0.0 112.434 173.356 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 58.5 tttm -55.18 -39.5 69.65 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.878 1.271 . . . . 0.0 112.692 173.866 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 15.6 mmtt -76.0 -36.75 59.05 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 115.071 1.508 . . . . 0.0 115.071 175.464 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.3 mp -58.24 -48.6 84.35 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.248 0 CA-C-N 120.987 1.721 . . . . 0.0 109.659 165.107 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.49 -51.85 68.13 Favored 'General case' 0 C--O 1.218 -0.572 0 CA-C-O 115.23 -2.319 . . . . 0.0 112.823 173.556 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -60.03 -37.94 81.25 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 125.888 3.949 . . . . 0.0 115.473 178.465 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -77.92 -55.48 5.27 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 122.239 2.291 . . . . 0.0 113.49 172.841 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.83 1.46 6.97 Favored 'General case' 0 CA--C 1.556 1.196 0 N-CA-C 118.212 2.671 . . . . 0.0 118.212 171.394 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.54 -46.19 13.69 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 124.689 3.404 . . . . 0.0 114.67 158.884 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.9 mtmp? -62.46 -43.54 98.57 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 114.937 1.458 . . . . 0.0 114.937 -171.75 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 64.6 -20.88 0.07 Allowed 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 116.874 2.175 . . . . 0.0 116.874 175.739 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -61.37 -39.68 91.54 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 120.891 1.678 . . . . 0.0 111.537 166.594 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -80.18 61.0 3.86 Favored 'General case' 0 CA--C 1.549 0.928 0 CA-C-O 123.225 1.488 . . . . 0.0 111.108 167.665 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.72 -45.17 95.28 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 113.304 -1.771 . . . . 0.0 114.702 -172.617 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 11.3 tpt -66.19 -30.02 70.4 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.015 0.926 . . . . 0.0 112.537 175.394 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 53.6 mt -84.62 -39.72 18.33 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.309 -0.869 . . . . 0.0 111.863 -177.243 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.4 tmtt? -60.08 -39.11 84.97 Favored 'General case' 0 CA--C 1.552 1.029 0 O-C-N 121.106 -0.996 . . . . 0.0 113.609 159.259 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -67.19 -28.15 67.86 Favored 'General case' 0 CA--C 1.552 1.038 0 O-C-N 119.29 -2.131 . . . . 0.0 111.856 170.431 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.7 t -64.04 -38.15 90.02 Favored 'General case' 0 CA--C 1.551 0.989 0 O-C-N 120.257 -1.527 . . . . 0.0 113.692 166.011 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -48.54 -54.69 13.45 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-N 118.982 0.81 . . . . 0.0 110.987 159.601 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.424 ' O ' ' HD2' ' A' ' 27' ' ' TYR 0.281 6.8 m-30 -73.44 -23.43 60.11 Favored 'General case' 0 CA--C 1.552 1.023 0 N-CA-C 114.343 1.238 . . . . 0.0 114.343 -174.601 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -58.35 -48.31 80.97 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.702 1.201 . . . . 0.0 111.422 159.687 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.81 -37.3 94.62 Favored Glycine 0 CA--C 1.534 1.234 0 N-CA-C 115.339 0.896 . . . . 0.0 115.339 171.737 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.59 -41.07 93.95 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 118.468 1.134 . . . . 0.0 112.975 170.228 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.424 ' HD2' ' O ' ' A' ' 23' ' ' TYR . 59.6 m-85 -72.65 72.45 1.03 Allowed 'General case' 0 CA--C 1.552 1.035 0 CA-C-O 123.348 1.547 . . . . 0.0 113.582 168.46 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.8 tpt85 -70.89 109.55 5.11 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 124.207 1.003 . . . . 0.0 111.077 168.791 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 12.4 p30 -136.29 -115.77 0.17 Allowed 'General case' 0 CA--C 1.551 0.999 0 O-C-N 120.212 -1.555 . . . . 0.0 113.884 -169.724 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -76.67 55.46 1.05 Allowed 'General case' 0 CA--C 1.549 0.923 0 CA-C-N 121.665 2.03 . . . . 0.0 113.195 -175.765 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -139.93 149.11 42.93 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.083 0.953 . . . . 0.0 113.343 -176.121 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -73.74 -57.66 3.83 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 122.883 0.473 . . . . 0.0 110.453 173.238 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 12.4 t -143.79 165.05 28.75 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-O 122.023 0.916 . . . . 0.0 113.215 179.973 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 75.1 m -58.41 -54.65 44.63 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.767 1.627 . . . . 0.0 114.292 -169.932 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -75.05 -6.63 50.48 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 114.11 1.152 . . . . 0.0 114.11 -178.058 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -78.59 -54.51 6.06 Favored 'General case' 0 CA--C 1.546 0.815 0 O-C-N 120.85 -1.156 . . . . 0.0 110.572 168.068 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.54 ' O ' HD13 ' A' ' 41' ' ' ILE . 18.5 ttp180 -64.64 -40.44 95.47 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-O 118.84 -0.6 . . . . 0.0 110.796 172.831 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . 0.268 . . -87.51 10.08 18.88 Favored 'General case' 0 CA--C 1.551 0.993 0 N-CA-C 116.568 2.062 . . . . 0.0 116.568 170.87 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.57 -39.09 74.12 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 119.162 -2.211 . . . . 0.0 111.883 142.871 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 63.9 mtt85 -70.16 -44.18 69.33 Favored 'General case' 0 CA--C 1.552 1.056 0 N-CA-C 114.087 1.143 . . . . 0.0 114.087 169.738 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.54 HD13 ' O ' ' A' ' 37' ' ' ARG 0.28 3.3 mp -68.75 86.48 0.16 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.959 0 CA-C-O 126.902 3.239 . . . . 0.0 113.268 167.417 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 29.2 mmtm -92.6 2.41 56.72 Favored 'General case' 0 CA--C 1.545 0.757 1 CA-C-N 107.218 -4.537 . . . . 0.0 116.528 -175.7 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 72.7 mt -64.07 -35.39 73.49 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.963 0 N-CA-C 114.58 1.326 . . . . 0.0 114.58 -163.671 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -177.48 168.67 40.44 Favored Glycine 0 CA--C 1.545 1.938 0 CA-C-N 120.609 1.55 . . . . 0.0 116.491 173.664 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -63.12 -45.97 11.27 Favored 'Trans proline' 0 C--N 1.359 1.1 0 C-N-CA 124.332 3.355 . . . . 0.0 115.414 179.904 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 52.4 mttt -64.2 -27.98 69.43 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 113.604 0.964 . . . . 0.0 113.604 169.654 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 8.6 t -65.22 -60.69 2.72 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-O 117.068 -1.444 . . . . 0.0 109.073 173.437 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -50.58 -41.18 20.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 CA-C-N 120.744 1.611 . . . . 0.0 115.193 171.904 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.27 -56.51 19.67 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 113.813 1.042 . . . . 0.0 113.813 173.924 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.27 -48.15 65.44 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 124.84 1.256 . . . . 0.0 110.743 171.866 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.43 ' CE2' HD11 ' A' ' 41' ' ' ILE . 3.9 t80 -54.48 -59.54 4.56 Favored 'General case' 0 C--N 1.351 0.668 0 C-N-CA 125.223 1.409 . . . . 0.0 112.042 175.776 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 20.7 mmmt -59.98 -39.92 87.38 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 114.165 1.172 . . . . 0.0 114.165 -178.664 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -68.04 -48.95 64.23 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 119.44 1.018 . . . . 0.0 113.054 177.546 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 2.4 m -60.26 -35.76 76.26 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 113.882 1.067 . . . . 0.0 113.882 169.429 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 5.1 t -66.03 -37.22 85.33 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 119.845 1.202 . . . . 0.0 113.356 173.692 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -61.12 -41.33 96.51 Favored 'General case' 0 CA--C 1.541 0.596 0 CA-C-N 120.035 1.288 . . . . 0.0 113.038 165.967 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 21.7 mm -61.22 -42.91 95.24 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.182 0 CA-C-N 120.529 1.513 . . . . 0.0 113.275 170.274 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.31 -48.75 76.07 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 123.929 0.892 . . . . 0.0 113.402 172.515 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 48.4 m-80 -66.79 -33.86 76.56 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 114.187 1.18 . . . . 0.0 114.187 172.684 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -62.21 -51.7 66.74 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 119.07 0.85 . . . . 0.0 112.371 170.778 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 4.5 p -67.78 -30.9 50.03 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.925 0 CA-C-N 119.767 1.167 . . . . 0.0 113.227 177.377 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 -58.08 -37.63 74.86 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.48 1.112 . . . . 0.0 112.84 170.144 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.14 -47.45 28.47 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 113.283 0.846 . . . . 0.0 113.283 169.985 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -64.79 -37.76 88.7 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 114.836 1.421 . . . . 0.0 114.836 179.257 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 66.87 -112.62 0.18 Allowed 'General case' 0 CA--C 1.553 1.061 0 C-N-CA 125.379 1.472 . . . . 0.0 114.958 174.737 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . . . . . . . . 1 C--N 1.233 -4.464 0 CA-C-N 121.15 1.795 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.727 ' H3 ' ' N ' ' A' ' 66' ' ' SER . 39.8 tpp . . . . . 0 CA--C 1.556 1.178 0 CA-C-O 122.481 1.134 . . . . 0.0 113.127 . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 89.7 mt -77.5 74.99 4.06 Favored 'General case' 0 CA--C 1.553 1.075 0 CA-C-O 123.928 1.823 . . . . 0.0 114.319 -177.723 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -55.22 -42.32 73.2 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 112.764 -2.016 . . . . 0.0 113.848 176.953 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -62.66 -32.24 73.25 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 114.206 1.188 . . . . 0.0 114.206 175.737 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 24.2 mmtt -75.83 -38.88 57.66 Favored 'General case' 0 C--O 1.244 0.814 0 N-CA-C 114.311 1.226 . . . . 0.0 114.311 174.544 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 13.0 mt -55.59 -52.37 48.16 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 165.981 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.483 ' O ' ' HB1' ' A' ' 11' ' ' ALA . 33.4 tt0 -61.57 -23.33 65.91 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-O 117.389 -1.291 . . . . 0.0 113.909 177.52 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -73.66 -43.35 59.68 Favored 'General case' 0 CA--C 1.548 0.885 0 CA-C-N 123.839 3.018 . . . . 0.0 113.845 170.85 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -83.26 -49.14 9.72 Favored 'General case' 0 N--CA 1.483 1.178 0 O-C-N 120.223 -1.548 . . . . 0.0 112.997 176.07 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.85 11.71 0.35 Allowed 'General case' 0 CA--C 1.556 1.178 0 N-CA-C 116.63 2.085 . . . . 0.0 116.63 161.667 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.483 ' HB1' ' O ' ' A' ' 7' ' ' GLU . . . -66.54 -39.3 88.49 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 118.111 -2.868 . . . . 0.0 112.577 148.536 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 48.1 mttp -79.32 57.72 2.4 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-O 122.586 1.184 . . . . 0.0 111.356 -170.019 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -68.89 -13.21 62.29 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 114.522 1.305 . . . . 0.0 114.522 176.868 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.6 mtpp -63.7 -39.64 94.81 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.951 0.9 . . . . 0.0 112.099 159.955 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -97.94 70.59 2.14 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-O 125.169 2.414 . . . . 0.0 110.109 178.259 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.95 -38.88 70.93 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 108.948 -3.751 . . . . 0.0 114.372 -174.118 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 64.4 mmm -65.34 -33.71 76.61 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.967 0.907 . . . . 0.0 112.877 175.02 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 58.6 mt -87.95 -44.9 10.68 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.248 0.619 . . . . 0.0 111.331 -172.813 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.75 -33.54 68.59 Favored 'General case' 0 CA--C 1.554 1.124 0 O-C-N 120.574 -1.329 . . . . 0.0 114.489 159.472 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . 0.25 0.1 OUTLIER -68.89 -27.68 66.01 Favored 'General case' 0 CA--C 1.549 0.905 0 CA-C-N 124.09 3.132 . . . . 0.0 111.614 170.535 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 87.5 m -60.76 -37.13 80.78 Favored 'General case' 0 CA--C 1.548 0.88 0 CA-C-N 121.308 1.867 . . . . 0.0 113.818 162.534 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -50.31 -49.17 54.53 Favored 'General case' 0 N--CA 1.482 1.158 0 CA-C-N 119.616 1.098 . . . . 0.0 112.089 160.782 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.41 ' O ' ' HD2' ' A' ' 27' ' ' TYR . 3.8 m-30 -74.18 -29.48 61.78 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 -176.883 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -58.27 -44.68 88.53 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 119.036 0.834 . . . . 0.0 112.524 161.238 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.54 -52.24 51.5 Favored Glycine 0 CA--C 1.531 1.065 0 C-N-CA 123.759 0.695 . . . . 0.0 114.218 171.742 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.4 -43.88 88.75 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 177.24 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.41 ' HD2' ' O ' ' A' ' 23' ' ' TYR . 72.0 m-85 -75.48 68.64 2.16 Favored 'General case' 0 CA--C 1.552 1.023 0 CA-C-N 120.177 1.353 . . . . 0.0 113.727 174.108 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -79.71 147.23 32.02 Favored 'General case' 0 CA--C 1.548 0.894 0 CA-C-N 115.097 -0.956 . . . . 0.0 113.578 174.782 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -132.25 -120.93 0.2 Allowed 'General case' 0 CA--C 1.555 1.154 0 O-C-N 120.97 -1.081 . . . . 0.0 111.748 -178.426 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -72.64 -2.25 19.35 Favored 'General case' 0 CA--C 1.549 0.916 0 O-C-N 119.217 -2.177 . . . . 0.0 116.383 -179.607 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -74.45 106.6 6.13 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-O 122.925 1.345 . . . . 0.0 113.297 -176.112 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -61.1 -36.37 79.51 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 114.216 -1.356 . . . . 0.0 113.622 174.093 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 46.8 p -118.22 138.42 52.35 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-O 121.959 0.885 . . . . 0.0 111.376 166.804 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 94.9 m -61.93 -35.83 79.59 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.423 1.089 . . . . 0.0 113.349 173.18 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.2 mp0 -67.26 -31.07 71.15 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 125.27 1.428 . . . . 0.0 114.334 -172.471 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -70.25 -44.87 67.6 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 121.795 2.088 . . . . 0.0 112.29 173.872 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.567 ' O ' HD13 ' A' ' 41' ' ' ILE . 36.3 ttp85 -58.19 -53.11 62.03 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 114.306 -1.315 . . . . 0.0 110.329 171.037 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -81.64 -1.93 48.43 Favored 'General case' 0 CA--C 1.55 0.96 0 N-CA-C 117.555 2.428 . . . . 0.0 117.555 176.647 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.22 -33.88 73.99 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 119.315 -2.116 . . . . 0.0 112.4 152.929 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 81.9 mtm180 -73.32 -36.27 66.19 Favored 'General case' 0 CA--C 1.552 1.026 0 N-CA-C 114.874 1.435 . . . . 0.0 114.874 166.667 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.567 HD13 ' O ' ' A' ' 37' ' ' ARG 0.273 3.5 mp -76.02 86.28 0.73 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.867 0 CA-C-O 126.746 3.165 . . . . 0.0 113.503 167.881 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 61.0 mttm -91.17 4.73 51.49 Favored 'General case' 0 CA--C 1.547 0.833 1 CA-C-N 107.937 -4.21 . . . . 0.0 116.107 -174.82 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 79.9 mt -61.82 -40.73 88.04 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.884 0 N-CA-C 114.746 1.387 . . . . 0.0 114.746 -164.875 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -175.7 162.19 31.31 Favored Glycine 0 CA--C 1.545 1.928 0 CA-C-O 117.773 -1.571 . . . . 0.0 115.709 175.312 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_exo -52.38 -51.07 11.95 Favored 'Trans proline' 0 C--N 1.361 1.221 0 C-N-CA 125.266 3.978 . . . . 0.0 116.127 177.912 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 23.0 mmtt -68.26 -23.46 64.78 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 113.869 1.062 . . . . 0.0 113.869 173.5 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 39.5 t -67.29 -58.25 5.17 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-O 117.324 -1.322 . . . . 0.0 110.588 170.713 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -50.95 -40.01 19.95 Favored 'Isoleucine or valine' 0 C--N 1.351 0.663 0 CA-C-N 120.194 1.361 . . . . 0.0 114.447 169.968 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.27 -52.23 64.56 Favored 'General case' 0 CA--C 1.555 1.143 0 N-CA-C 115.564 1.69 . . . . 0.0 115.564 173.302 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.85 -45.37 78.45 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.704 1.202 . . . . 0.0 111.508 170.117 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.428 ' CE2' HD11 ' A' ' 41' ' ' ILE . 2.7 t80 -55.37 -58.03 9.41 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.604 1.162 . . . . 0.0 111.992 174.513 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 43.3 tptt -59.53 -41.18 89.43 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.402 1.081 . . . . 0.0 113.127 -178.325 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.445 ' O ' HD11 ' A' ' 57' ' ' ILE . 94.5 m-20 -66.17 -54.73 21.81 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.691 0.997 . . . . 0.0 113.691 174.465 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 12.3 m -60.31 -28.03 67.79 Favored 'General case' 0 CA--C 1.549 0.907 0 N-CA-C 114.917 1.451 . . . . 0.0 114.917 171.723 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.8 t -71.31 -34.44 70.61 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 120.831 1.65 . . . . 0.0 112.868 170.279 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -58.28 -41.14 83.7 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 120.292 1.406 . . . . 0.0 112.944 162.979 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.445 HD11 ' O ' ' A' ' 53' ' ' ASP . 2.8 mp -61.58 -47.65 92.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 CA-C-N 120.119 1.327 . . . . 0.0 113.379 167.815 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.0 -39.1 68.7 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 172.748 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -64.79 -41.25 95.98 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 169.903 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.446 ' HB3' ' N ' ' A' ' 66' ' ' SER . 38.9 mt-30 -64.56 -34.05 77.34 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 113.942 1.09 . . . . 0.0 113.942 170.967 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 86.8 t -64.95 -49.89 77.57 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.759 0 CA-C-N 119.182 0.901 . . . . 0.0 111.74 166.127 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -59.88 -38.55 82.51 Favored 'General case' 0 CA--C 1.548 0.898 0 CA-C-N 119.471 1.032 . . . . 0.0 113.737 176.334 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -89.89 13.81 13.66 Favored 'General case' 0 CA--C 1.555 1.151 0 N-CA-C 114.921 1.452 . . . . 0.0 114.921 169.843 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 48.67 55.68 8.73 Favored 'General case' 0 CA--C 1.554 1.115 0 C-N-CA 128.129 2.572 . . . . 0.0 116.205 173.273 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -148.43 -34.41 0.22 Allowed 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 116.151 1.908 . . . . 0.0 116.151 -176.927 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.727 ' N ' ' H3 ' ' A' ' 1' ' ' MET . . . . . . . . 1 C--N 1.234 -4.43 0 CA-C-N 121.248 1.84 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.2 tpt . . . . . 0 CA--C 1.546 0.809 0 N-CA-C 112.624 0.602 . . . . 0.0 112.624 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.506 ' O ' HD13 ' A' ' 6' ' ' ILE . 10.2 mp -58.16 -43.79 87.59 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.246 1.418 . . . . 0.0 112.228 173.73 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 22.9 mp0 -59.18 -43.22 92.18 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.982 1.713 . . . . 0.0 112.424 -179.886 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.1 tptp -65.8 -32.57 74.18 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.183 0.993 . . . . 0.0 112.129 176.961 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 49.5 tttm -71.25 -44.26 65.64 Favored 'General case' 0 CA--C 1.549 0.937 0 CA-C-O 117.947 -1.025 . . . . 0.0 113.372 176.214 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.506 HD13 ' O ' ' A' ' 2' ' ' LEU . 4.0 mp -57.49 -45.42 85.85 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.346 0 CA-C-N 120.598 1.545 . . . . 0.0 109.749 165.985 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -58.72 -54.5 46.39 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 115.99 -1.957 . . . . 0.0 112.179 175.483 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -64.07 -21.93 66.72 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 125.772 3.896 . . . . 0.0 114.738 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -79.23 -69.05 0.6 Allowed 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 119.982 1.264 . . . . 0.0 112.514 163.71 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.84 3.61 7.84 Favored 'General case' 0 CA--C 1.556 1.209 0 N-CA-C 119.396 3.109 . . . . 0.0 119.396 179.594 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.99 -50.93 8.56 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 117.444 -3.285 . . . . 0.0 111.859 156.698 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -83.07 68.02 9.36 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-O 123.294 1.521 . . . . 0.0 111.184 -174.326 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.7 m-30 -54.29 -3.9 0.05 OUTLIER 'General case' 0 CA--C 1.551 1.005 0 N-CA-C 117.03 2.234 . . . . 0.0 117.03 177.534 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -59.05 -31.88 69.25 Favored 'General case' 0 CA--C 1.546 0.79 0 O-C-N 120.821 -1.174 . . . . 0.0 112.288 157.086 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -80.04 58.09 2.85 Favored 'General case' 0 CA--C 1.549 0.933 0 CA-C-O 122.549 1.166 . . . . 0.0 111.312 172.046 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.51 -54.71 43.71 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 115.995 1.85 . . . . 0.0 115.995 -165.955 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 70.7 mmm -67.68 -27.04 66.51 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.769 0.828 . . . . 0.0 113.107 176.01 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 39.3 mt -81.96 -44.98 16.01 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.028 0.931 . . . . 0.0 111.335 -175.242 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -63.19 -31.15 72.22 Favored 'General case' 0 CA--C 1.545 0.784 0 O-C-N 121.428 -0.795 . . . . 0.0 112.087 164.266 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.2 tmtm? -63.71 -38.09 89.81 Favored 'General case' 0 CA--C 1.551 1.006 0 CA-C-N 121.208 1.822 . . . . 0.0 111.443 168.371 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 27.6 m -58.03 -39.56 78.7 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 122.267 2.303 . . . . 0.0 114.786 165.575 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -49.67 -51.96 34.46 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 119.214 0.916 . . . . 0.0 111.572 163.99 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.41 ' O ' ' HD2' ' A' ' 27' ' ' TYR 0.262 6.4 m-30 -74.78 -24.63 58.7 Favored 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 113.814 1.042 . . . . 0.0 113.814 -175.794 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -61.35 -37.33 82.95 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 113.564 0.95 . . . . 0.0 113.564 160.607 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.96 -42.07 69.96 Favored Glycine 0 CA--C 1.532 1.154 0 CA-C-O 119.357 -0.691 . . . . 0.0 114.718 170.312 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.96 -38.79 92.13 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 114.061 1.134 . . . . 0.0 114.061 175.305 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.41 ' HD2' ' O ' ' A' ' 23' ' ' TYR . 52.0 m-85 -72.96 67.95 0.88 Allowed 'General case' 0 CA--C 1.552 1.033 0 CA-C-O 123.383 1.563 . . . . 0.0 113.691 171.782 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 33.0 ttt-85 -146.46 133.41 20.22 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 114.007 -1.451 . . . . 0.0 112.188 174.966 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -140.06 -56.29 0.55 Allowed 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.07 168.439 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -64.72 -53.38 48.07 Favored 'General case' 0 CA--C 1.547 0.862 0 N-CA-C 116.802 2.149 . . . . 0.0 116.802 -175.248 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -79.47 126.3 30.68 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-O 122.359 1.076 . . . . 0.0 113.478 -172.479 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -58.51 -55.5 34.22 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 115.257 1.577 . . . . 0.0 115.257 -169.728 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 33.0 m -105.53 113.78 27.56 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 121.44 -0.787 . . . . 0.0 112.371 -168.85 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 91.5 m -57.63 -38.88 75.76 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 176.806 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 40.7 mp0 -67.21 -14.84 63.29 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 114.185 1.18 . . . . 0.0 114.185 -178.234 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -75.31 -59.32 2.8 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 121.29 1.859 . . . . 0.0 110.006 172.108 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.575 ' O ' HD13 ' A' ' 41' ' ' ILE . 2.9 ptp180 -59.34 -40.3 85.91 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-O 118.003 -0.998 . . . . 0.0 111.944 172.151 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -87.3 6.19 34.65 Favored 'General case' 0 CA--C 1.551 0.994 0 CA-C-N 122.154 2.252 . . . . 0.0 116.889 172.205 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.78 -31.73 63.44 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 119.083 -2.261 . . . . 0.0 112.084 146.4 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 87.2 mtt-85 -72.59 -44.62 61.79 Favored 'General case' 0 CA--C 1.553 1.073 0 N-CA-C 113.247 0.832 . . . . 0.0 113.247 168.643 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.575 HD13 ' O ' ' A' ' 37' ' ' ARG . 3.2 mp -69.62 86.78 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.926 0 CA-C-O 126.734 3.159 . . . . 0.0 113.504 167.613 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 58.0 mttp -97.0 9.98 40.52 Favored 'General case' 0 CA--C 1.547 0.833 1 CA-C-N 107.876 -4.238 . . . . 0.0 115.836 -178.661 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 76.6 mt -62.94 -37.87 80.43 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.962 0 CA-C-N 119.901 1.228 . . . . 0.0 114.156 -166.612 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -177.49 163.59 32.21 Favored Glycine 0 CA--C 1.545 1.968 0 CA-C-O 118.01 -1.439 . . . . 0.0 115.362 172.538 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_exo -53.53 -47.0 29.7 Favored 'Trans proline' 0 C--N 1.359 1.128 0 C-N-CA 124.97 3.78 . . . . 0.0 115.694 174.569 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 42.5 tttm -68.21 -30.03 69.01 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 124.195 0.998 . . . . 0.0 112.374 177.626 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.44 -55.29 18.79 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.487 1.115 . . . . 0.0 111.06 171.622 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . 0.293 0.0 OUTLIER -54.2 -36.11 31.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 N-CA-C 115.612 1.708 . . . . 0.0 115.612 169.263 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -60.86 -51.47 69.17 Favored 'General case' 0 CA--C 1.551 1.015 0 CA-C-N 120.755 1.616 . . . . 0.0 115.216 170.8 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.42 -50.51 62.4 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 124.36 1.064 . . . . 0.0 111.168 168.44 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.435 ' CE2' HD11 ' A' ' 41' ' ' ILE . 2.7 t80 -54.13 -53.53 51.99 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.924 1.29 . . . . 0.0 112.409 176.225 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 53.0 tptt -62.79 -40.9 98.75 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 113.603 0.964 . . . . 0.0 113.603 -178.078 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -73.28 -37.68 66.17 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 120.497 1.498 . . . . 0.0 114.925 175.463 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 9.0 m -63.45 -30.88 71.93 Favored 'General case' 0 CA--C 1.553 1.085 0 N-CA-C 114.344 1.239 . . . . 0.0 114.344 164.564 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 16.4 t -57.9 -42.94 85.73 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 120.894 1.679 . . . . 0.0 113.194 164.022 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -56.66 -44.42 81.33 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 119.712 1.142 . . . . 0.0 112.94 168.024 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 24.0 mm -60.35 -45.39 96.57 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 N-CA-C 113.968 1.099 . . . . 0.0 113.968 170.85 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.78 -45.62 82.01 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 113.664 0.986 . . . . 0.0 113.664 174.497 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 71.3 m-80 -65.85 -38.92 90.12 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 113.656 0.984 . . . . 0.0 113.656 171.612 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -60.19 -48.59 81.07 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-O 118.369 -0.824 . . . . 0.0 112.921 173.167 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 33.2 m -70.36 -28.47 35.4 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.777 0 CA-C-N 120.6 1.545 . . . . 0.0 114.282 175.112 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 57.4 ttt180 -65.57 -42.1 92.17 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 120.318 1.417 . . . . 0.0 113.079 166.142 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.08 -46.34 65.1 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 119.635 1.107 . . . . 0.0 113.796 171.819 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 64.09 -54.3 0.25 Allowed 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 126.823 2.049 . . . . 0.0 115.145 175.208 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.687 HE21 ' N ' ' A' ' 66' ' ' SER . 0.0 OUTLIER -98.75 -41.35 7.71 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 114.169 1.174 . . . . 0.0 114.169 179.888 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.687 ' N ' HE21 ' A' ' 65' ' ' GLN . . . . . . . . 1 C--N 1.237 -4.324 0 CA-C-N 120.116 1.325 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.4 mmm . . . . . 0 CA--C 1.544 0.72 0 N-CA-C 112.98 0.733 . . . . 0.0 112.98 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 87.1 mt -125.46 129.47 49.87 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-O 123.023 1.392 . . . . 0.0 114.386 -170.503 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 51.5 tp60 -55.22 -40.8 71.23 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 113.436 -1.711 . . . . 0.0 112.268 170.973 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 60.7 tttm -54.27 -41.15 68.49 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.916 1.286 . . . . 0.0 112.799 170.005 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.1 -36.43 77.53 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 114.652 1.353 . . . . 0.0 114.652 175.721 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 5.3 mp -59.27 -51.36 73.49 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.181 0 CA-C-N 120.322 1.419 . . . . 0.0 109.938 166.05 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -60.95 -31.54 71.1 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-O 116.693 -1.623 . . . . 0.0 114.588 175.013 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 86.1 mt-10 -69.62 -36.51 76.21 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 123.533 2.879 . . . . 0.0 115.164 170.947 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -87.15 -46.27 9.91 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 120.544 1.52 . . . . 0.0 112.625 177.118 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.83 4.88 3.64 Favored 'General case' 0 CA--C 1.555 1.143 0 N-CA-C 116.254 1.946 . . . . 0.0 116.254 164.316 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.29 -40.2 71.02 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 118.315 -2.74 . . . . 0.0 112.539 149.457 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 48.8 mttp -77.6 62.9 2.61 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-O 122.835 1.302 . . . . 0.0 111.652 -174.052 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -66.5 -14.33 62.13 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 113.763 1.023 . . . . 0.0 113.763 170.928 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.0 tptp -64.38 -35.87 82.3 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 124.351 1.06 . . . . 0.0 112.902 160.214 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -98.19 68.78 1.96 Allowed 'General case' 0 CA--C 1.544 0.727 0 CA-C-O 125.254 2.455 . . . . 0.0 110.089 174.105 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.3 -40.7 74.75 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 108.916 -3.766 . . . . 0.0 114.289 -170.968 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 32.4 ttm -66.78 -32.47 73.78 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.217 1.007 . . . . 0.0 112.745 176.153 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 74.4 mt -86.86 -40.39 14.94 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 121.069 -1.019 . . . . 0.0 112.427 -174.45 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.68 -29.67 70.87 Favored 'General case' 0 CA--C 1.551 1.014 0 O-C-N 120.79 -1.194 . . . . 0.0 113.108 160.492 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.0 tmtm? -66.52 -34.19 77.37 Favored 'General case' 0 CA--C 1.549 0.937 0 CA-C-N 122.055 2.207 . . . . 0.0 111.508 167.538 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 98.5 m -53.94 -43.12 69.55 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 122.175 2.261 . . . . 0.0 113.774 163.44 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -49.25 -55.94 10.98 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 122.795 0.438 . . . . 0.0 111.337 163.648 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.423 ' O ' ' HD2' ' A' ' 27' ' ' TYR 0.265 5.3 m-30 -72.8 -22.29 60.85 Favored 'General case' 0 CA--C 1.552 1.035 0 N-CA-C 114.237 1.199 . . . . 0.0 114.237 -173.838 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -58.85 -48.64 80.65 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.145 0.978 . . . . 0.0 112.286 159.679 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.83 -42.32 96.52 Favored Glycine 0 CA--C 1.532 1.145 0 CA-C-O 119.428 -0.651 . . . . 0.0 114.655 172.354 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.81 -46.36 85.47 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 114.212 1.19 . . . . 0.0 114.212 175.237 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.423 ' HD2' ' O ' ' A' ' 23' ' ' TYR . 59.8 m-85 -73.95 66.65 1.19 Allowed 'General case' 0 CA--C 1.552 1.055 0 CA-C-N 120.511 1.505 . . . . 0.0 114.978 178.246 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -74.36 134.45 42.48 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-O 122.341 1.067 . . . . 0.0 113.578 170.717 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -157.02 -59.33 0.09 Allowed 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 114.853 -1.067 . . . . 0.0 113.808 -166.317 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -74.04 -45.28 50.57 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 116.577 2.066 . . . . 0.0 116.577 -173.224 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -143.86 -177.42 5.42 Favored 'General case' 0 CA--C 1.55 0.977 0 CA-C-N 120.381 1.446 . . . . 0.0 112.129 -178.948 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -78.89 -43.15 25.55 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 116.132 1.901 . . . . 0.0 116.132 170.709 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 41.2 p -85.0 113.87 21.75 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 121.012 -1.055 . . . . 0.0 113.769 -167.743 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 81.1 m -64.19 -37.97 89.38 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 178.823 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.75 -5.17 39.05 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 114.47 1.285 . . . . 0.0 114.47 178.453 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -70.97 -59.84 2.56 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 121.202 1.819 . . . . 0.0 110.428 163.369 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.499 ' O ' HD13 ' A' ' 41' ' ' ILE . 33.1 mtm180 -54.83 -50.7 67.96 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 115.0 -1.0 . . . . 0.0 112.255 170.034 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . 0.283 . . -89.08 15.31 8.91 Favored 'General case' 0 CA--C 1.55 0.964 0 N-CA-C 116.079 1.881 . . . . 0.0 116.079 177.491 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.15 -43.12 62.02 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 119.586 -1.946 . . . . 0.0 112.021 140.069 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.8 mpp_? -70.42 -42.62 71.36 Favored 'General case' 0 CA--C 1.553 1.062 0 N-CA-C 114.545 1.313 . . . . 0.0 114.545 172.25 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.499 HD13 ' O ' ' A' ' 37' ' ' ARG . 3.3 mp -68.95 88.36 0.18 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.969 0 CA-C-O 126.875 3.226 . . . . 0.0 112.684 166.55 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 29.9 mmtm -95.61 7.29 46.7 Favored 'General case' 0 CA--C 1.544 0.745 1 CA-C-N 107.137 -4.574 . . . . 0.0 116.491 -176.158 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 73.6 mt -63.8 -39.28 84.81 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.906 0 N-CA-C 114.3 1.222 . . . . 0.0 114.3 -166.181 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 177.44 168.5 37.27 Favored Glycine 0 CA--C 1.545 1.965 0 CA-C-N 120.224 1.375 . . . . 0.0 116.465 173.058 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_exo -52.83 -46.8 31.12 Favored 'Trans proline' 0 C--N 1.361 1.191 0 C-N-CA 125.223 3.949 . . . . 0.0 115.964 174.928 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -66.01 -30.93 71.56 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.846 0.859 . . . . 0.0 112.242 175.701 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 43.3 t -65.93 -57.92 6.73 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-O 117.386 -1.292 . . . . 0.0 111.677 172.416 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -52.23 -38.13 24.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 CA-C-N 120.884 1.674 . . . . 0.0 115.106 170.967 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.15 -53.47 56.62 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 115.313 1.598 . . . . 0.0 115.313 170.892 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.21 -48.36 68.19 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 124.254 1.021 . . . . 0.0 111.017 169.929 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.414 ' CE2' HD11 ' A' ' 41' ' ' ILE . 3.0 t80 -55.21 -57.4 11.94 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.218 1.407 . . . . 0.0 112.3 176.49 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.437 ' O ' ' HD1' ' A' ' 56' ' ' TYR . 41.7 mttm -65.62 -34.7 78.84 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 115.489 1.662 . . . . 0.0 115.489 -179.551 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -69.93 -44.14 70.23 Favored 'General case' 0 CA--C 1.55 0.943 0 CA-C-N 121.486 1.948 . . . . 0.0 113.36 173.593 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 5.6 m -63.35 -31.63 72.84 Favored 'General case' 0 CA--C 1.552 1.026 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 167.453 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 51.9 t -57.03 -42.41 80.36 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 120.506 1.503 . . . . 0.0 112.683 164.374 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.437 ' HD1' ' O ' ' A' ' 52' ' ' LYS . 24.9 m-85 -59.15 -41.38 88.2 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 120.249 1.386 . . . . 0.0 113.777 169.534 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 27.2 mm -58.91 -48.74 85.45 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.256 0 CA-C-N 119.902 1.228 . . . . 0.0 113.804 167.959 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.1 -40.9 77.9 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 113.439 0.903 . . . . 0.0 113.439 173.622 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -61.92 -37.51 84.96 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.448 1.099 . . . . 0.0 113.408 172.707 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -64.64 -45.83 85.14 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 118.859 0.754 . . . . 0.0 112.665 168.533 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 90.4 t -64.26 -45.02 97.38 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.834 0 N-CA-C 113.805 1.039 . . . . 0.0 113.805 177.294 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 36.8 ptt180 -68.17 -20.5 64.88 Favored 'General case' 0 CA--C 1.548 0.895 0 CA-C-N 121.286 1.857 . . . . 0.0 114.374 175.245 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -85.16 -56.72 3.4 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 119.284 0.947 . . . . 0.0 112.674 166.794 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -91.67 65.67 5.13 Favored 'General case' 0 CA--C 1.547 0.836 0 O-C-N 120.409 -1.432 . . . . 0.0 111.548 -179.305 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.612 HE21 ' N ' ' A' ' 66' ' ' SER . 0.0 OUTLIER -84.77 -36.44 21.72 Favored 'General case' 0 CA--C 1.55 0.955 0 N-CA-C 113.931 1.086 . . . . 0.0 113.931 177.479 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.612 ' N ' HE21 ' A' ' 65' ' ' GLN . . . . . . . . 1 C--N 1.237 -4.301 0 CA-C-N 119.927 1.24 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.7 mtm . . . . . 0 CA--C 1.545 0.752 0 N-CA-C 112.474 0.546 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 79.0 mt -126.95 135.29 50.69 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-O 123.766 1.746 . . . . 0.0 114.379 -174.546 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -59.85 -48.6 81.02 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 112.424 -2.171 . . . . 0.0 113.839 178.445 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -59.94 -31.54 69.95 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.223 1.009 . . . . 0.0 113.664 175.545 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 32.7 mmtm -76.05 -33.33 59.59 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 114.071 1.137 . . . . 0.0 114.071 176.743 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.2 mt -57.63 -53.03 49.92 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.367 0 CA-C-N 120.498 1.499 . . . . 0.0 109.325 163.039 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -58.87 -38.32 78.53 Favored 'General case' 0 C--N 1.347 0.492 0 CA-C-O 117.633 -1.175 . . . . 0.0 112.507 -179.179 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -60.71 -57.79 11.22 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 120.863 1.665 . . . . 0.0 115.343 168.1 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -71.77 -42.38 67.24 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 120.974 1.716 . . . . 0.0 113.912 -175.851 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.88 -4.97 31.2 Favored 'General case' 0 CA--C 1.555 1.16 0 N-CA-C 116.517 2.043 . . . . 0.0 116.517 162.443 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -80.09 -42.09 24.31 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 124.729 3.422 . . . . 0.0 113.073 152.798 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 52.1 mttp -69.51 59.04 0.13 Allowed 'General case' 0 CA--C 1.552 1.037 0 CA-C-O 122.827 1.299 . . . . 0.0 113.233 178.175 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -60.05 -12.88 9.21 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 126.192 1.797 . . . . 0.0 115.354 176.131 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -60.98 -36.89 80.62 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.242 1.017 . . . . 0.0 112.209 162.566 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 58.9 m-85 -92.75 67.16 4.47 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-O 124.395 2.045 . . . . 0.0 110.209 173.661 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.91 -43.18 81.14 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 110.819 -2.9 . . . . 0.0 114.213 -173.098 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 61.9 mtp -65.96 -29.91 70.38 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.132 0.973 . . . . 0.0 113.397 175.438 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 63.9 mt -87.09 -38.84 16.12 Favored 'General case' 0 CA--C 1.537 0.475 0 O-C-N 121.399 -0.813 . . . . 0.0 112.255 -175.269 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.81 -32.51 74.08 Favored 'General case' 0 CA--C 1.55 0.947 0 O-C-N 120.981 -1.074 . . . . 0.0 112.975 161.354 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.1 tptp -67.24 -28.76 68.32 Favored 'General case' 0 CA--C 1.553 1.084 0 CA-C-N 122.081 2.219 . . . . 0.0 112.345 168.827 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.2 t -63.26 -40.9 98.72 Favored 'General case' 0 CA--C 1.551 1.006 0 CA-C-N 119.983 1.265 . . . . 0.0 113.273 165.074 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.6 t -47.41 -56.95 5.91 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 118.812 0.733 . . . . 0.0 110.957 160.187 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.428 ' O ' ' HD2' ' A' ' 27' ' ' TYR 0.282 6.7 m-30 -72.1 -21.43 61.49 Favored 'General case' 0 CA--C 1.553 1.08 0 N-CA-C 114.213 1.19 . . . . 0.0 114.213 -173.972 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.2 t0 -61.74 -40.71 96.07 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.746 1.218 . . . . 0.0 112.586 161.21 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.5 -40.59 91.05 Favored Glycine 0 CA--C 1.537 1.412 0 CA-C-O 119.001 -0.888 . . . . 0.0 114.948 167.37 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.36 -42.32 96.27 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 114.914 1.45 . . . . 0.0 114.914 178.602 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.428 ' HD2' ' O ' ' A' ' 23' ' ' TYR . 59.7 m-85 -72.73 55.53 0.38 Allowed 'General case' 0 CA--C 1.555 1.137 0 CA-C-N 120.826 1.648 . . . . 0.0 114.869 176.891 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 20.4 mmm180 -143.09 166.64 24.11 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.777 1.231 . . . . 0.0 114.206 -179.118 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 26.6 t30 -147.8 -78.98 0.15 Allowed 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.635 177.92 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -73.19 66.19 0.86 Allowed 'General case' 0 CA--C 1.547 0.857 0 CA-C-O 123.275 1.512 . . . . 0.0 114.677 -173.658 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -89.14 119.66 29.84 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 114.459 -1.246 . . . . 0.0 112.001 174.804 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -66.32 -51.81 53.51 Favored 'General case' 0 CA--C 1.547 0.837 0 O-C-N 120.822 -1.174 . . . . 0.0 110.711 165.744 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 24.9 m -150.81 132.97 15.34 Favored 'General case' 0 CA--C 1.545 0.787 0 O-C-N 120.657 -1.277 . . . . 0.0 110.734 159.312 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 90.4 m -53.16 -34.17 55.73 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 115.042 1.497 . . . . 0.0 115.042 -175.615 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -66.4 -9.57 35.05 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 125.244 1.418 . . . . 0.0 113.727 177.043 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -72.05 -58.92 3.03 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 123.184 2.72 . . . . 0.0 110.686 168.7 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.56 ' O ' HD13 ' A' ' 41' ' ' ILE . 26.8 ttt180 -61.57 -44.02 97.8 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 112.742 -2.027 . . . . 0.0 110.143 176.057 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -92.33 19.34 7.19 Favored 'General case' 0 CA--C 1.553 1.094 0 N-CA-C 115.856 1.798 . . . . 0.0 115.856 172.127 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -75.78 -38.24 58.46 Favored 'General case' 0 N--CA 1.468 0.446 0 O-C-N 118.742 -2.474 . . . . 0.0 111.681 140.701 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -66.8 -49.05 67.09 Favored 'General case' 0 CA--C 1.551 1.003 0 N-CA-C 113.207 0.818 . . . . 0.0 113.207 169.621 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.56 HD13 ' O ' ' A' ' 37' ' ' ARG . 3.4 mp -77.29 82.13 0.79 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.806 0 CA-C-O 126.252 2.93 . . . . 0.0 113.047 169.846 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.0 tptt -118.76 40.28 3.3 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-N 108.413 -3.994 . . . . 0.0 112.523 177.635 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 73.5 mt -71.55 -40.14 71.16 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.807 0 C-N-CA 123.531 0.732 . . . . 0.0 111.993 -179.349 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -161.95 155.49 26.77 Favored Glycine 0 CA--C 1.545 1.954 0 CA-C-O 117.483 -1.731 . . . . 0.0 114.468 176.01 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_exo -52.21 -48.02 23.87 Favored 'Trans proline' 0 C--N 1.36 1.165 0 C-N-CA 124.985 3.79 . . . . 0.0 115.609 175.677 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -62.58 -32.97 74.05 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 113.453 0.909 . . . . 0.0 113.453 173.237 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 10.7 t -65.68 -60.31 3.03 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-O 117.385 -1.293 . . . . 0.0 109.457 175.337 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -50.9 -42.86 24.21 Favored 'Isoleucine or valine' 0 C--N 1.352 0.685 0 CA-C-N 120.488 1.495 . . . . 0.0 114.932 173.718 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.5 ttpp -61.5 -55.48 30.57 Favored 'General case' 0 CA--C 1.55 0.96 0 CA-C-O 117.825 -1.083 . . . . 0.0 113.335 174.748 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -50.43 -48.98 56.09 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-N 120.123 1.329 . . . . 0.0 111.079 170.832 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.42 ' CE2' HD11 ' A' ' 41' ' ' ILE . 7.2 t80 -53.73 -58.26 7.87 Favored 'General case' 0 C--N 1.349 0.554 0 C-N-CA 125.188 1.395 . . . . 0.0 112.257 176.251 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -66.11 -28.82 69.1 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 114.424 1.268 . . . . 0.0 114.424 -179.274 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -63.57 -53.34 53.21 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 120.28 1.4 . . . . 0.0 113.18 169.807 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 15.2 m -64.33 -35.15 79.93 Favored 'General case' 0 CA--C 1.553 1.094 0 N-CA-C 115.276 1.584 . . . . 0.0 115.276 171.467 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 8.3 t -65.51 -36.87 85.13 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 121.092 1.769 . . . . 0.0 112.767 172.653 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.405 ' O ' ' HG2' ' A' ' 60' ' ' GLN . 8.9 t80 -55.87 -48.43 75.57 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-O 117.875 -1.06 . . . . 0.0 112.228 164.175 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 26.8 mm -57.98 -47.42 86.64 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.167 0 CA-C-N 120.527 1.512 . . . . 0.0 114.881 170.428 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.48 -45.49 69.64 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 174.005 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 13.9 m-80 -72.15 -26.03 61.93 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 115.155 1.539 . . . . 0.0 115.155 172.792 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.405 ' HG2' ' O ' ' A' ' 56' ' ' TYR . 14.4 mm-40 -68.46 -40.84 80.9 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 121.302 1.865 . . . . 0.0 112.896 164.743 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 98.5 t -62.29 -39.07 82.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 CA-C-N 119.731 1.15 . . . . 0.0 112.851 172.705 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -54.96 -41.5 71.21 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 124.76 1.224 . . . . 0.0 114.06 168.935 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -77.68 -48.63 16.3 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 172.552 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 63.15 -57.3 0.17 Allowed 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 126.903 2.081 . . . . 0.0 115.388 177.169 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.35 140.76 47.57 Favored 'General case' 0 CA--C 1.549 0.927 0 O-C-N 120.565 -1.334 . . . . 0.0 113.722 -178.162 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . . . . . . . . 1 C--N 1.229 -4.66 0 O-C-N 122.039 -0.413 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.7 mtm . . . . . 0 CA--C 1.549 0.92 0 N-CA-C 113.668 0.988 . . . . 0.0 113.668 . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 76.6 mt -64.19 -47.69 78.79 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 113.819 1.044 . . . . 0.0 113.819 -179.996 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -56.19 -39.75 72.9 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.674 1.19 . . . . 0.0 113.639 -178.69 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 24.3 ttpp -60.09 -38.03 81.69 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.623 1.169 . . . . 0.0 112.6 172.62 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 18.0 ttpp -76.5 -35.36 58.39 Favored 'General case' 0 CA--C 1.552 1.051 0 C-N-CA 124.269 1.028 . . . . 0.0 113.173 179.15 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.2 mp -54.72 -50.75 57.87 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.267 0 CA-C-N 120.167 1.349 . . . . 0.0 110.008 163.174 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 41.1 mm-40 -60.07 -47.7 84.8 Favored 'General case' 0 C--O 1.217 -0.644 0 CA-C-O 115.834 -2.031 . . . . 0.0 112.084 174.166 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -64.6 -17.97 64.47 Favored 'General case' 0 CA--C 1.553 1.071 1 CA-C-N 126.176 4.08 . . . . 0.0 115.576 177.743 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -86.25 -48.16 8.78 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 121.005 1.729 . . . . 0.0 114.515 161.667 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.592 ' O ' ' HD1' ' A' ' 13' ' ' TYR . . . -63.69 -63.77 1.08 Allowed 'General case' 0 N--CA 1.478 0.965 0 CA-C-O 115.704 -2.093 . . . . 0.0 115.797 168.194 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -50.34 -24.46 3.0 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 124.26 3.209 . . . . 0.0 118.071 -165.224 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 59.3 mttp -62.42 -36.62 82.95 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 123.859 0.864 . . . . 0.0 112.616 169.327 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.592 ' HD1' ' O ' ' A' ' 10' ' ' ALA 0.295 1.6 m-85 53.5 -29.96 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 118.925 2.935 . . . . 0.0 118.925 178.721 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -62.44 -33.92 75.76 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.612 1.565 . . . . 0.0 112.835 168.783 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 62.4 m-85 -76.28 65.77 2.27 Favored 'General case' 0 CA--C 1.548 0.886 0 CA-C-O 124.058 1.885 . . . . 0.0 112.076 169.064 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.43 -50.66 73.07 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 111.118 -2.765 . . . . 0.0 115.495 -167.079 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 4.2 mpp? -63.66 -31.76 73.03 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.154 0.982 . . . . 0.0 113.102 178.773 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 37.8 mt -83.08 -47.44 11.66 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.065 0.946 . . . . 0.0 110.962 -173.666 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.7 tmmm? -52.94 -42.03 65.04 Favored 'General case' 0 CA--C 1.55 0.944 0 N-CA-C 114.441 1.274 . . . . 0.0 114.441 159.301 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.25 -32.35 73.73 Favored 'General case' 0 CA--C 1.549 0.933 0 CA-C-N 121.11 1.777 . . . . 0.0 112.187 169.958 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 18.2 m -60.73 -38.17 84.23 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 122.68 2.491 . . . . 0.0 114.699 163.18 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -50.49 -55.9 13.94 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 120.295 1.407 . . . . 0.0 110.803 164.362 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.261 6.4 m-30 -72.35 -25.33 61.49 Favored 'General case' 0 CA--C 1.554 1.098 0 N-CA-C 113.675 0.991 . . . . 0.0 113.675 -173.982 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.28 -34.9 78.69 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.144 1.378 . . . . 0.0 113.456 164.155 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -78.07 -32.62 43.56 Favored Glycine 0 CA--C 1.534 1.269 0 CA-C-O 118.97 -0.905 . . . . 0.0 115.15 168.679 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.33 -46.46 80.17 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 119.028 1.414 . . . . 0.0 113.807 174.78 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -74.91 40.19 0.14 Allowed 'General case' 0 CA--C 1.555 1.149 0 N-CA-C 115.515 1.672 . . . . 0.0 115.515 178.388 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 34.4 mmt180 -117.22 72.43 0.83 Allowed 'General case' 0 CA--C 1.546 0.819 0 O-C-N 119.685 -1.885 . . . . 0.0 112.796 -175.3 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 23.2 m120 -84.05 -56.44 3.67 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 115.307 -0.86 . . . . 0.0 112.932 175.384 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -68.16 -33.43 74.45 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 114.429 1.27 . . . . 0.0 114.429 176.299 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -77.84 84.68 4.14 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 113.466 0.913 . . . . 0.0 113.466 -179.22 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.48 -49.79 66.71 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 116.812 2.153 . . . . 0.0 116.812 -174.46 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 90.2 m -109.01 99.58 8.89 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 121.228 1.831 . . . . 0.0 109.376 -178.13 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 77.5 m -59.19 -40.35 85.42 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 114.948 1.462 . . . . 0.0 114.948 -174.796 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -66.49 -16.77 64.38 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 114.612 1.338 . . . . 0.0 114.612 -177.683 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -69.16 -50.56 46.58 Favored 'General case' 0 CA--C 1.55 0.971 0 CA-C-O 122.566 1.174 . . . . 0.0 110.829 166.881 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.546 ' O ' HD13 ' A' ' 41' ' ' ILE . 8.6 mpt_? -66.09 -44.35 84.67 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 114.579 -1.191 . . . . 0.0 110.128 177.92 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . 0.258 . . -85.75 5.35 32.72 Favored 'General case' 0 CA--C 1.551 0.995 0 N-CA-C 116.231 1.937 . . . . 0.0 116.231 173.775 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.51 -32.48 64.28 Favored 'General case' 0 CA--C 1.543 0.705 0 O-C-N 119.429 -2.044 . . . . 0.0 112.519 145.382 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 70.9 mtt85 -73.81 -44.63 55.25 Favored 'General case' 0 CA--C 1.553 1.076 0 O-C-N 120.787 -1.195 . . . . 0.0 113.406 166.706 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.546 HD13 ' O ' ' A' ' 37' ' ' ARG 0.257 3.2 mp -68.96 84.93 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.551 1.002 0 CA-C-O 126.806 3.193 . . . . 0.0 113.122 167.363 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 55.1 mttp -94.83 11.07 32.88 Favored 'General case' 0 CA--C 1.545 0.781 1 CA-C-N 107.87 -4.241 . . . . 0.0 115.857 -176.877 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 46.3 mm -63.35 -34.99 70.45 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.905 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 -167.77 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -177.36 161.73 29.33 Favored Glycine 0 CA--C 1.546 1.987 0 CA-C-O 118.103 -1.387 . . . . 0.0 115.234 171.86 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_exo -52.65 -47.17 28.63 Favored 'Trans proline' 0 C--N 1.36 1.146 0 C-N-CA 124.976 3.784 . . . . 0.0 115.423 174.239 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -68.74 -24.68 64.48 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 123.68 0.792 . . . . 0.0 112.469 174.879 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.5 -56.52 7.14 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.67 172.296 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -50.94 -42.11 23.14 Favored 'Isoleucine or valine' 0 C--N 1.352 0.689 0 CA-C-N 120.227 1.376 . . . . 0.0 114.605 169.762 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.27 -52.18 66.68 Favored 'General case' 0 CA--C 1.55 0.945 0 N-CA-C 114.961 1.467 . . . . 0.0 114.961 172.895 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.57 -47.54 79.29 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.368 1.067 . . . . 0.0 110.884 171.345 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.43 ' CE2' HD11 ' A' ' 41' ' ' ILE . 2.8 t80 -54.68 -55.07 33.62 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.05 1.34 . . . . 0.0 112.441 176.712 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 25.5 ttpt -64.83 -38.56 91.39 Favored 'General case' 0 CA--C 1.55 0.944 0 N-CA-C 113.985 1.105 . . . . 0.0 113.985 -179.845 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.63 -50.37 72.82 Favored 'General case' 0 CA--C 1.551 0.984 0 CA-C-N 120.417 1.462 . . . . 0.0 113.902 172.379 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 10.9 m -64.73 -27.76 69.13 Favored 'General case' 0 CA--C 1.551 1.017 0 N-CA-C 114.438 1.273 . . . . 0.0 114.438 171.358 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 52.1 t -61.36 -38.79 88.23 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 121.194 1.815 . . . . 0.0 113.276 164.323 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -57.59 -42.89 84.06 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 119.943 1.247 . . . . 0.0 112.866 166.616 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 24.5 mm -60.6 -46.46 95.62 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 N-CA-C 114.079 1.14 . . . . 0.0 114.079 168.084 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.15 -42.97 77.82 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 113.225 0.824 . . . . 0.0 113.225 173.668 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -66.42 -32.7 74.23 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 114.867 1.432 . . . . 0.0 114.867 171.375 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -62.7 -43.42 98.85 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 120.068 1.304 . . . . 0.0 112.93 164.195 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 97.4 t -62.42 -33.9 61.72 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.936 0 CA-C-N 120.036 1.289 . . . . 0.0 112.961 172.914 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -61.83 -47.23 86.01 Favored 'General case' 0 CA--C 1.546 0.802 0 O-C-N 120.666 -1.271 . . . . 0.0 113.339 167.467 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.34 -51.45 10.09 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 114.726 1.38 . . . . 0.0 114.726 179.739 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -84.63 62.12 7.14 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-O 123.187 1.47 . . . . 0.0 111.3 -176.859 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -127.65 126.56 42.2 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 115.334 -0.848 . . . . 0.0 113.225 -173.531 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . . . . . . . . 1 C--N 1.23 -4.622 0 CA-C-N 118.031 0.378 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.7 mtp . . . . . 0 CA--C 1.545 0.766 0 N-CA-C 112.948 0.722 . . . . 0.0 112.948 . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 83.9 mt -112.39 120.91 43.29 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-O 123.7 1.714 . . . . 0.0 113.493 -174.459 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 73.1 tp60 -56.2 -48.78 75.75 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 112.446 -2.161 . . . . 0.0 113.204 175.103 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 57.9 tttp -53.8 -38.79 64.91 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.787 1.635 . . . . 0.0 113.643 172.306 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -82.43 -23.52 34.79 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 115.781 1.771 . . . . 0.0 115.781 179.333 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.7 mt -57.64 -53.09 49.17 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.315 0 CA-C-N 122.154 2.252 . . . . 0.0 108.114 159.817 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -59.32 -44.38 92.58 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 116.832 -1.556 . . . . 0.0 112.742 -179.697 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -71.61 -33.35 68.92 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 123.0 2.637 . . . . 0.0 116.24 173.861 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.61 -57.15 3.97 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 123.884 3.038 . . . . 0.0 112.852 172.43 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.92 3.21 2.78 Favored 'General case' 0 CA--C 1.556 1.202 0 N-CA-C 117.226 2.306 . . . . 0.0 117.226 170.817 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -79.24 -41.97 27.01 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 124.28 3.218 . . . . 0.0 114.374 154.528 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 35.6 mtmm -63.55 -45.29 91.2 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 114.714 1.376 . . . . 0.0 114.714 -167.994 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 62.24 -29.6 0.07 Allowed 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 117.056 2.243 . . . . 0.0 117.056 173.013 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -61.08 -39.37 89.63 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.259 1.423 . . . . 0.0 111.921 164.902 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -78.85 66.63 4.37 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-O 124.481 2.086 . . . . 0.0 111.741 167.092 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.88 -47.75 83.83 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 110.319 -3.128 . . . . 0.0 114.597 -170.484 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 34.5 ttm -64.53 -32.24 73.8 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.219 1.008 . . . . 0.0 112.786 177.917 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 79.1 mt -83.55 -43.45 15.7 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 123.38 0.672 . . . . 0.0 112.549 -175.531 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.91 -29.74 70.22 Favored 'General case' 0 CA--C 1.551 0.981 0 CA-C-N 119.495 1.043 . . . . 0.0 113.192 163.11 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -67.97 -30.83 70.21 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-N 122.672 2.487 . . . . 0.0 111.501 168.642 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 7.0 t -63.77 -37.92 89.16 Favored 'General case' 0 CA--C 1.552 1.033 0 CA-C-N 120.656 1.571 . . . . 0.0 113.512 166.525 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.1 t -48.07 -56.98 6.45 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.19 0.596 . . . . 0.0 110.908 158.78 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.268 5.8 m-30 -72.67 -21.33 61.09 Favored 'General case' 0 CA--C 1.554 1.103 0 N-CA-C 114.396 1.258 . . . . 0.0 114.396 -174.207 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -61.38 -38.24 86.32 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.159 1.384 . . . . 0.0 112.913 160.412 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.84 -34.34 62.44 Favored Glycine 0 CA--C 1.535 1.298 0 CA-C-O 118.726 -1.041 . . . . 0.0 115.619 167.175 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.85 -47.76 65.15 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 119.725 1.763 . . . . 0.0 114.386 175.421 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -75.92 55.04 0.87 Allowed 'General case' 0 CA--C 1.553 1.077 0 CA-C-N 120.515 1.507 . . . . 0.0 114.286 -179.992 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 27.4 mmt180 -123.43 156.66 35.07 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 124.325 1.05 . . . . 0.0 113.025 -177.774 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -155.46 -76.57 0.1 Allowed 'General case' 0 CA--C 1.544 0.728 0 O-C-N 121.639 -0.663 . . . . 0.0 112.091 -169.626 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -73.22 45.06 0.15 Allowed 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 125.415 1.486 . . . . 0.0 114.105 -178.179 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -115.5 104.72 12.02 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 121.002 -1.061 . . . . 0.0 112.492 -169.03 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -63.65 -36.26 83.24 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 113.867 1.062 . . . . 0.0 113.867 176.686 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 94.8 m -152.16 121.91 6.97 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 120.312 -1.492 . . . . 0.0 111.105 176.903 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 94.9 m -58.13 -43.51 87.32 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.03 1.332 . . . . 0.0 114.166 -178.884 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 25.4 mp0 -65.71 -26.83 67.93 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.772 1.229 . . . . 0.0 114.17 -178.232 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -70.9 -51.3 26.97 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 120.422 1.464 . . . . 0.0 110.28 173.568 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.577 ' O ' HD13 ' A' ' 41' ' ' ILE . 43.5 mmm-85 -57.7 -48.25 80.1 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 115.228 -0.897 . . . . 0.0 111.047 174.114 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -80.48 -4.96 55.82 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 116.906 2.187 . . . . 0.0 116.906 175.107 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.89 -33.12 74.9 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 119.191 -2.193 . . . . 0.0 112.339 152.079 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 25.8 mmt180 -73.66 -38.77 64.85 Favored 'General case' 0 CA--C 1.553 1.065 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 168.667 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.577 HD13 ' O ' ' A' ' 37' ' ' ARG 0.313 3.4 mp -72.46 81.86 0.36 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.947 0 CA-C-O 127.598 3.571 . . . . 0.0 112.986 167.278 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.6 4.72 42.69 Favored 'General case' 0 CA--C 1.542 0.648 1 CA-C-N 106.662 -4.79 . . . . 0.0 116.814 -170.72 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 67.4 mt -65.8 -47.7 84.79 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.826 0 N-CA-C 114.283 1.216 . . . . 0.0 114.283 -165.105 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -167.94 158.24 30.94 Favored Glycine 0 CA--C 1.544 1.9 0 CA-C-O 117.375 -1.792 . . . . 0.0 115.828 178.491 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -52.08 -50.5 13.8 Favored 'Trans proline' 0 C--N 1.361 1.217 0 C-N-CA 125.279 3.986 . . . . 0.0 116.113 179.817 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.3 -29.99 71.21 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 113.463 0.912 . . . . 0.0 113.463 174.389 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 42.9 t -67.5 -61.63 1.81 Allowed 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 117.342 -1.313 . . . . 0.0 109.767 173.847 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -48.87 -36.88 8.44 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.683 0 CA-C-N 120.906 1.685 . . . . 0.0 115.295 172.51 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.6 ttpp -66.45 -58.72 4.66 Favored 'General case' 0 CA--C 1.554 1.111 0 CA-C-O 117.797 -1.097 . . . . 0.0 113.942 171.733 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -48.87 -43.45 38.93 Favored 'General case' 0 N--CA 1.482 1.153 0 CA-C-N 120.357 1.435 . . . . 0.0 111.281 171.873 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.421 ' CE2' HD11 ' A' ' 41' ' ' ILE . 3.5 t80 -55.86 -58.53 7.48 Favored 'General case' 0 C--N 1.349 0.544 0 CA-C-O 117.35 -1.309 . . . . 0.0 112.185 173.52 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 31.3 mttp -60.72 -31.97 71.25 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 120.994 1.724 . . . . 0.0 113.953 179.818 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -67.3 -52.86 35.35 Favored 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 113.552 0.945 . . . . 0.0 113.552 175.241 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 20.0 m -66.02 -28.02 68.55 Favored 'General case' 0 CA--C 1.55 0.958 0 N-CA-C 114.677 1.362 . . . . 0.0 114.677 169.411 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.9 t -69.97 -31.68 69.53 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 121.379 1.9 . . . . 0.0 112.79 170.637 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.436 ' O ' ' HG2' ' A' ' 60' ' ' GLN . 1.0 OUTLIER -55.14 -49.61 71.35 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-O 117.963 -1.018 . . . . 0.0 111.553 160.511 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 27.7 mm -55.44 -48.25 77.32 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.233 0 CA-C-N 120.235 1.379 . . . . 0.0 114.459 168.33 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.05 -51.07 65.22 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 114.056 1.132 . . . . 0.0 114.056 177.555 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 17.9 p30 -66.72 -34.55 78.09 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 120.288 1.403 . . . . 0.0 114.074 175.348 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.436 ' HG2' ' O ' ' A' ' 56' ' ' TYR . 48.3 mm-40 -67.15 -49.39 64.94 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 119.937 1.244 . . . . 0.0 112.774 171.774 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.1 p -66.48 -31.8 55.2 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.797 0 CA-C-N 120.574 1.534 . . . . 0.0 113.071 179.223 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.7 -41.24 94.78 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 119.517 1.053 . . . . 0.0 113.677 168.542 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.2 -29.35 63.89 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 114.293 1.22 . . . . 0.0 114.293 173.724 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -75.51 -28.41 59.13 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 115.094 1.516 . . . . 0.0 115.094 175.082 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -85.35 -29.29 24.6 Favored 'General case' 0 CA--C 1.55 0.98 0 N-CA-C 115.675 1.731 . . . . 0.0 115.675 -179.534 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . . . . . . . . 1 C--N 1.233 -4.458 0 CA-C-N 120.633 1.56 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.2 mtp . . . . . 0 CA--C 1.543 0.698 0 N-CA-C 113.416 0.895 . . . . 0.0 113.416 . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 51.8 mt -133.35 129.92 38.12 Favored 'General case' 0 CA--C 1.549 0.926 0 CA-C-O 124.1 1.905 . . . . 0.0 115.817 -171.108 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 19.7 mp0 -54.41 -39.47 67.34 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 111.841 -2.436 . . . . 0.0 113.302 172.12 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 50.0 tptt -61.12 -35.29 76.65 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.52 1.128 . . . . 0.0 113.138 173.885 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 36.0 mmtm -76.44 -36.07 58.15 Favored 'General case' 0 CA--C 1.545 0.771 0 O-C-N 121.158 -0.964 . . . . 0.0 113.201 178.352 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.5 mp -56.42 -49.13 78.52 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.39 0 CA-C-N 119.831 1.196 . . . . 0.0 109.889 163.943 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -55.93 -54.96 38.37 Favored 'General case' 0 C--N 1.347 0.488 0 CA-C-O 116.451 -1.738 . . . . 0.0 111.557 174.558 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -59.86 -28.96 67.97 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-N 123.454 2.843 . . . . 0.0 116.146 -179.324 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -86.1 -54.3 4.56 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 122.528 2.422 . . . . 0.0 114.059 167.547 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.05 1.58 4.47 Favored 'General case' 0 CA--C 1.555 1.166 0 N-CA-C 117.007 2.225 . . . . 0.0 117.007 173.071 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.6 -33.92 47.1 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 118.445 -2.66 . . . . 0.0 114.298 156.625 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 55.3 mttp -68.34 -49.92 56.9 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 114.009 1.114 . . . . 0.0 114.009 -170.318 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 61.37 -28.4 0.06 Allowed 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 116.914 2.19 . . . . 0.0 116.914 175.942 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 39.9 ttpt -59.96 -43.48 95.04 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.549 1.54 . . . . 0.0 111.553 162.673 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -77.31 66.06 3.0 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-O 124.299 2.0 . . . . 0.0 111.979 166.945 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.44 -48.29 82.22 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 110.793 -2.912 . . . . 0.0 114.694 -170.506 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 28.2 ttp -65.93 -28.79 69.18 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.953 0.901 . . . . 0.0 112.622 178.418 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 65.3 mt -87.33 -42.51 12.83 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 121.532 -0.73 . . . . 0.0 112.372 -174.621 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.93 -31.91 72.27 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-N 119.907 1.231 . . . . 0.0 112.98 160.344 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.9 tmtm? -68.83 -32.98 73.06 Favored 'General case' 0 CA--C 1.552 1.025 0 O-C-N 119.384 -2.073 . . . . 0.0 111.866 171.553 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.9 t -58.58 -41.34 85.51 Favored 'General case' 0 CA--C 1.551 1.004 0 CA-C-N 119.619 1.099 . . . . 0.0 112.612 165.275 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -47.39 -54.76 10.41 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-N 118.874 0.761 . . . . 0.0 111.565 160.655 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.276 5.2 m-30 -70.84 -27.36 63.8 Favored 'General case' 0 CA--C 1.552 1.044 0 N-CA-C 113.992 1.108 . . . . 0.0 113.992 -174.385 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -61.09 -34.69 75.32 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 115.034 1.494 . . . . 0.0 115.034 159.807 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.99 -36.64 86.53 Favored Glycine 0 CA--C 1.535 1.299 0 CA-C-N 119.158 0.89 . . . . 0.0 113.84 167.48 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.25 -54.72 13.29 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 114.546 1.313 . . . . 0.0 114.546 177.113 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . 0.265 2.0 p90 -80.81 45.43 0.81 Allowed 'General case' 0 CA--C 1.554 1.116 0 CA-C-N 122.799 2.545 . . . . 0.0 114.358 179.721 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 58.1 ttt85 -116.68 128.17 55.1 Favored 'General case' 0 CA--C 1.545 0.78 0 O-C-N 120.118 -1.614 . . . . 0.0 113.671 -169.43 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -100.34 76.8 1.9 Allowed 'General case' 0 CA--C 1.54 0.564 0 CA-C-O 123.437 1.589 . . . . 0.0 112.893 168.882 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -72.8 -42.96 63.35 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 112.976 -1.92 . . . . 0.0 112.503 173.089 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . 0.27 61.3 m-20 63.48 -40.62 0.2 Allowed 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 116.661 2.097 . . . . 0.0 116.661 179.689 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -74.25 -167.48 0.53 Allowed 'General case' 0 CA--C 1.559 1.299 0 CA-C-N 119.518 1.053 . . . . 0.0 113.504 160.336 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 27.1 m -73.21 104.47 4.27 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 119.584 -1.948 . . . . 0.0 112.41 -176.114 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.76 -45.1 93.29 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.009 1.324 . . . . 0.0 113.859 -171.887 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -68.92 -22.88 64.13 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 114.422 1.267 . . . . 0.0 114.422 179.301 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -73.95 -47.0 40.62 Favored 'General case' 0 CA--C 1.546 0.807 0 O-C-N 121.254 -0.904 . . . . 0.0 110.808 172.203 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.523 ' O ' HG13 ' A' ' 41' ' ' ILE . 24.5 mmt180 -57.86 -51.67 68.65 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.995 169.294 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -81.18 16.48 1.55 Allowed 'General case' 0 CA--C 1.55 0.952 0 N-CA-C 115.665 1.728 . . . . 0.0 115.665 170.995 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -78.54 -48.34 15.44 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 118.21 -2.806 . . . . 0.0 112.56 141.274 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.499 HH21 ' NE ' ' A' ' 37' ' ' ARG . 22.5 ptt-85 -80.32 -4.3 52.89 Favored 'General case' 0 CA--C 1.556 1.186 0 N-CA-C 116.818 2.155 . . . . 0.0 116.818 178.636 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.523 HG13 ' O ' ' A' ' 37' ' ' ARG 0.339 60.0 mt -71.79 83.85 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.968 0 CA-C-O 127.417 3.484 . . . . 0.0 112.803 170.957 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.38 14.09 1.05 Allowed 'General case' 0 CA--C 1.55 0.967 1 CA-C-N 108.188 -4.096 . . . . 0.0 117.043 -170.114 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 17.1 tt -68.64 -37.65 77.91 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.998 0 N-CA-C 114.867 1.432 . . . . 0.0 114.867 -172.693 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -179.94 136.13 2.66 Favored Glycine 0 CA--C 1.544 1.866 0 CA-C-O 115.644 -2.754 . . . . 0.0 114.05 177.105 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_exo -48.96 -55.37 4.21 Favored 'Trans proline' 0 C--N 1.362 1.243 2 C-N-CA 125.712 4.275 . . . . 0.0 118.047 -172.251 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -66.63 -30.95 71.35 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 113.389 0.885 . . . . 0.0 113.389 176.414 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 2.0 t -66.86 -60.71 2.42 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-O 115.702 -2.094 . . . . 0.0 108.222 175.742 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -47.97 -42.74 10.35 Favored 'Isoleucine or valine' 0 C--N 1.358 0.973 0 CA-C-N 122.55 2.432 . . . . 0.0 115.337 168.67 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 52.4 tttt -52.97 -61.5 2.26 Favored 'General case' 0 CA--C 1.554 1.115 0 CA-C-N 122.053 2.206 . . . . 0.0 113.378 173.948 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.33 -52.56 63.07 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 123.907 0.883 . . . . 0.0 111.653 175.792 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -58.89 -45.94 89.05 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.801 1.24 . . . . 0.0 114.002 178.311 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 15.8 ttmm -63.8 -42.77 97.65 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 120.434 1.47 . . . . 0.0 111.427 179.276 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -67.16 -43.32 82.54 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 176.949 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 10.0 m -64.67 -33.57 76.25 Favored 'General case' 0 CA--C 1.553 1.082 0 N-CA-C 114.934 1.457 . . . . 0.0 114.934 167.071 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.53 -41.25 94.06 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 120.713 1.597 . . . . 0.0 111.535 168.929 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -54.7 -46.62 74.19 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-O 117.947 -1.025 . . . . 0.0 112.795 166.57 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 29.9 mm -57.13 -48.79 81.4 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 CA-C-N 120.263 1.392 . . . . 0.0 113.619 169.454 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.19 -47.07 75.77 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 173.823 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -65.38 -38.05 88.86 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.271 1.028 . . . . 0.0 113.261 173.446 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -65.05 -46.51 80.95 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 119.15 0.886 . . . . 0.0 112.503 173.481 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 82.0 t -62.78 -38.08 80.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 CA-C-N 119.371 0.987 . . . . 0.0 112.366 173.834 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 39.1 ttm-85 -60.54 -39.52 88.21 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 113.404 0.89 . . . . 0.0 113.404 172.13 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.95 -52.23 9.76 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 113.737 1.014 . . . . 0.0 113.737 172.32 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -79.48 74.05 6.13 Favored 'General case' 0 CA--C 1.55 0.972 0 CA-C-O 123.618 1.675 . . . . 0.0 112.243 -177.488 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 86.1 mm-40 -99.77 -56.21 2.45 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 114.576 -1.193 . . . . 0.0 113.337 173.212 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . . . . . . . . 1 C--N 1.234 -4.452 0 CA-C-N 119.841 1.201 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 38.0 ttm . . . . . 0 CA--C 1.547 0.848 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -71.41 67.83 0.52 Allowed 'General case' 0 CA--C 1.556 1.182 0 CA-C-O 124.089 1.899 . . . . 0.0 115.902 -173.352 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -60.14 -30.22 69.16 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 113.245 -1.798 . . . . 0.0 114.237 172.621 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -59.34 -48.63 80.9 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.281 1.032 . . . . 0.0 112.453 170.659 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.3 mmmp? -66.02 -38.22 87.88 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-O 117.987 -1.006 . . . . 0.0 113.309 174.805 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 78.6 mt -52.72 -55.98 9.23 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 CA-C-N 118.885 0.766 . . . . 0.0 111.257 168.639 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -70.05 -34.62 73.45 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-O 116.896 -1.526 . . . . 0.0 113.348 178.092 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -66.37 -46.33 77.07 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 122.764 2.529 . . . . 0.0 113.913 174.788 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -106.54 27.49 8.76 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 123.139 2.699 . . . . 0.0 113.466 173.318 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.83 -63.31 1.41 Allowed 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 119.188 3.032 . . . . 0.0 119.188 114.52 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.34 -45.93 74.93 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 117.268 2.321 . . . . 0.0 117.268 -167.199 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.8 ttpm? -81.87 52.62 1.98 Allowed 'General case' 0 CA--C 1.554 1.122 0 CA-C-O 124.155 1.931 . . . . 0.0 113.449 -169.672 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -124.15 -131.95 0.26 Allowed 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 126.479 1.912 . . . . 0.0 106.824 162.776 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -98.52 46.45 1.0 Allowed 'General case' 0 CA--C 1.548 0.903 0 O-C-N 119.762 -1.836 . . . . 0.0 110.536 152.962 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . 0.363 6.0 p90 31.27 -76.41 0.0 OUTLIER 'General case' 0 CA--C 1.549 0.919 0 N-CA-C 118.614 2.82 . . . . 0.0 118.614 -167.43 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.58 -60.79 3.02 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 118.094 2.627 . . . . 0.0 118.094 -144.427 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 38.2 ttp -70.7 -29.34 65.62 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-O 122.318 1.056 . . . . 0.0 112.603 -176.342 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 55.9 mt -85.51 -49.86 7.73 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.994 -174.892 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 44.3 tttp -36.74 -46.85 0.63 Allowed 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 117.909 2.559 . . . . 0.0 117.909 148.497 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.85 -40.46 92.98 Favored 'General case' 0 CA--C 1.553 1.077 0 CA-C-N 122.687 2.494 . . . . 0.0 111.617 171.444 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 35.6 m -62.03 -35.89 79.92 Favored 'General case' 0 CA--C 1.548 0.881 0 CA-C-N 121.173 1.806 . . . . 0.0 114.85 168.44 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -49.15 -48.35 44.94 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 119.163 0.892 . . . . 0.0 111.04 162.073 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.278 6.0 m-30 -75.94 -27.79 57.72 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 114.183 1.179 . . . . 0.0 114.183 -174.732 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -57.97 -40.78 81.47 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 159.988 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.72 -50.83 51.62 Favored Glycine 0 CA--C 1.533 1.207 0 N-CA-C 115.138 0.815 . . . . 0.0 115.138 170.649 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.45 -37.36 72.72 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.07 1.348 . . . . 0.0 113.862 178.974 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -70.58 76.94 0.58 Allowed 'General case' 0 CA--C 1.548 0.894 0 CA-C-O 122.162 0.982 . . . . 0.0 111.086 161.804 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.5 108.69 2.49 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-O 121.986 0.898 . . . . 0.0 112.144 173.83 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 54.7 m-80 -100.82 -93.89 0.28 Allowed 'General case' 0 CA--C 1.547 0.83 0 O-C-N 121.732 -0.605 . . . . 0.0 112.385 179.436 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -62.47 -57.57 10.75 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 116.412 2.004 . . . . 0.0 116.412 -160.959 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -153.67 167.04 30.91 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-O 122.205 1.002 . . . . 0.0 113.033 -170.791 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.39 -24.19 67.24 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 115.936 1.828 . . . . 0.0 115.936 179.558 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 86.5 m -88.33 92.0 9.0 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 120.158 1.344 . . . . 0.0 110.012 -175.268 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 76.0 m -55.58 -38.5 69.48 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 114.673 1.36 . . . . 0.0 114.673 -175.0 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -71.13 -9.11 57.51 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 175.736 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -74.77 -56.13 5.11 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 122.068 2.213 . . . . 0.0 109.888 167.016 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.509 ' O ' HD13 ' A' ' 41' ' ' ILE . 32.1 mtm180 -53.1 -49.32 66.7 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 114.553 -1.203 . . . . 0.0 111.225 171.587 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -95.21 16.72 15.84 Favored 'General case' 0 CA--C 1.551 1.003 0 N-CA-C 116.941 2.2 . . . . 0.0 116.941 177.622 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.51 -38.13 65.44 Favored 'General case' 0 CA--C 1.54 0.562 0 O-C-N 119.387 -2.071 . . . . 0.0 111.765 140.644 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 21.6 mmt180 -69.43 -47.68 63.33 Favored 'General case' 0 CA--C 1.553 1.093 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 173.315 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.509 HD13 ' O ' ' A' ' 37' ' ' ARG . 3.5 mp -70.05 87.91 0.25 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.841 0 CA-C-O 127.222 3.391 . . . . 0.0 112.381 164.581 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.63 2.65 55.69 Favored 'General case' 0 CA--C 1.547 0.83 1 CA-C-N 106.694 -4.775 . . . . 0.0 116.218 -171.603 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 76.3 mt -62.23 -42.87 96.95 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.856 0 N-CA-C 114.595 1.331 . . . . 0.0 114.595 -162.644 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -176.87 160.91 28.42 Favored Glycine 0 CA--C 1.544 1.859 0 CA-C-O 117.651 -1.638 . . . . 0.0 115.609 174.795 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -50.93 -46.82 28.54 Favored 'Trans proline' 0 C--N 1.362 1.261 1 C-N-CA 125.385 4.057 . . . . 0.0 116.158 178.471 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -69.91 -27.04 64.45 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 113.178 0.807 . . . . 0.0 113.178 175.431 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.62 -54.2 17.94 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-O 117.589 -1.196 . . . . 0.0 111.125 171.736 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -49.01 -43.42 15.13 Favored 'Isoleucine or valine' 0 C--N 1.352 0.675 0 CA-C-N 120.308 1.413 . . . . 0.0 114.521 167.076 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.7 tttm -60.82 -52.3 65.67 Favored 'General case' 0 CA--C 1.552 1.048 0 N-CA-C 114.351 1.241 . . . . 0.0 114.351 175.416 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.56 -46.4 80.74 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 119.399 0.999 . . . . 0.0 111.467 171.387 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.449 ' CE2' HD11 ' A' ' 41' ' ' ILE . 4.2 t80 -53.87 -59.33 4.77 Favored 'General case' 0 C--N 1.349 0.544 0 C-N-CA 124.587 1.155 . . . . 0.0 111.472 174.884 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.11 -33.06 74.91 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 113.676 0.991 . . . . 0.0 113.676 -177.116 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -64.73 -57.14 9.78 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 120.297 1.408 . . . . 0.0 111.106 172.735 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.7 m -58.5 -42.09 86.86 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 114.415 1.265 . . . . 0.0 114.415 174.688 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 42.7 t -64.19 -39.37 93.84 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 120.047 1.294 . . . . 0.0 113.562 175.671 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -57.38 -51.41 69.52 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 119.939 1.245 . . . . 0.0 112.08 167.843 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 6.6 mt -65.94 -36.09 76.66 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.897 0 N-CA-C 113.056 0.762 . . . . 0.0 113.056 177.986 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.04 -46.64 82.25 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 167.867 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -65.59 -35.83 81.98 Favored 'General case' 0 CA--C 1.547 0.854 0 CA-C-N 119.607 1.094 . . . . 0.0 113.521 171.468 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -58.83 -45.18 90.61 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.058 0.943 . . . . 0.0 112.415 167.741 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 82.8 t -60.58 -43.93 95.67 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.782 0 CA-C-N 119.135 0.88 . . . . 0.0 112.589 170.22 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 26.0 mmt85 -61.53 -33.15 73.34 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 120.486 1.494 . . . . 0.0 114.337 171.568 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.86 -33.64 74.13 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 113.857 1.058 . . . . 0.0 113.857 168.073 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -73.51 -48.63 31.74 Favored 'General case' 0 CA--C 1.545 0.774 0 O-C-N 121.358 -0.839 . . . . 0.0 113.122 169.944 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -139.31 120.19 14.41 Favored 'General case' 0 CA--C 1.549 0.924 0 O-C-N 120.963 -1.086 . . . . 0.0 113.244 -179.183 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . . . . . . . . 1 C--N 1.23 -4.628 0 O-C-N 121.787 -0.571 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.5 mmm . . . . . 0 CA--C 1.55 0.972 0 N-CA-C 114.206 1.187 . . . . 0.0 114.206 . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 72.6 mt 47.2 -89.66 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 127.389 2.276 . . . . 0.0 115.644 179.22 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 6.7 tm0? -63.3 -44.96 93.52 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 125.332 1.453 . . . . 0.0 111.354 175.452 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 30.7 mmtm -69.89 -29.56 66.78 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 115.186 -0.915 . . . . 0.0 112.622 175.065 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 8.6 mmmt -61.94 -44.56 96.51 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 120.206 1.366 . . . . 0.0 113.005 169.522 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 81.9 mt -52.57 -49.71 43.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 123.788 0.835 . . . . 0.0 111.388 167.654 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -62.94 -48.05 80.58 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-O 117.402 -1.285 . . . . 0.0 113.829 172.814 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -54.74 -45.27 74.11 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 115.342 1.608 . . . . 0.0 115.342 179.371 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -138.7 46.93 1.97 Allowed 'General case' 0 N--CA 1.472 0.661 0 CA-C-O 124.532 2.11 . . . . 0.0 111.54 -177.678 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.34 -59.66 4.67 Favored 'General case' 0 CA--C 1.548 0.872 1 N-CA-C 122.605 4.298 . . . . 0.0 122.605 85.556 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.97 -49.41 70.4 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 123.267 2.758 . . . . 0.0 118.049 -168.724 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -68.11 38.3 0.03 OUTLIER 'General case' 0 CA--C 1.556 1.194 0 N-CA-C 116.604 2.075 . . . . 0.0 116.604 -172.72 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -117.91 -131.16 0.31 Allowed 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 126.031 1.733 . . . . 0.0 107.759 170.189 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -99.04 40.72 1.18 Allowed 'General case' 0 CA--C 1.548 0.878 0 O-C-N 119.758 -1.839 . . . . 0.0 111.071 155.533 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 53.94 -86.14 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 126.206 1.802 . . . . 0.0 113.996 -174.345 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.84 -60.67 3.3 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 117.85 2.537 . . . . 0.0 117.85 -143.251 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 34.1 ttm -68.65 -36.19 78.25 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.563 0.745 . . . . 0.0 112.504 -175.35 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -75.12 -51.81 12.53 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 124.551 1.14 . . . . 0.0 111.226 -179.321 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 50.1 tttp -39.9 -47.18 2.14 Favored 'General case' 0 CA--C 1.549 0.912 0 N-CA-C 117.61 2.448 . . . . 0.0 117.61 154.406 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.5 tmtm? -59.34 -40.35 86.08 Favored 'General case' 0 CA--C 1.551 0.998 0 CA-C-N 122.16 2.254 . . . . 0.0 112.568 170.905 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 61.3 m -63.08 -36.97 85.34 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 120.946 1.703 . . . . 0.0 114.468 169.014 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -48.99 -47.64 44.09 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.892 0.877 . . . . 0.0 111.613 162.909 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.283 6.6 m-30 -76.2 -29.59 57.69 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 114.077 1.14 . . . . 0.0 114.077 -174.553 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -57.48 -40.54 78.82 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 112.767 0.654 . . . . 0.0 112.767 160.553 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.24 -50.41 56.67 Favored Glycine 0 CA--C 1.533 1.195 0 N-CA-C 115.242 0.857 . . . . 0.0 115.242 170.005 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.96 -37.35 71.44 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.86 1.264 . . . . 0.0 114.218 179.397 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 70.5 m-85 -71.03 75.42 0.65 Allowed 'General case' 0 CA--C 1.551 1.005 0 CA-C-O 122.095 0.95 . . . . 0.0 112.306 165.426 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.3 tpm_? -71.15 108.99 4.93 Favored 'General case' 0 CA--C 1.551 1.008 0 O-C-N 120.738 -1.227 . . . . 0.0 113.929 173.335 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.4 p-10 -83.08 102.45 11.82 Favored 'General case' 0 CA--C 1.547 0.837 0 O-C-N 120.484 -1.385 . . . . 0.0 111.472 168.099 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -69.34 61.47 0.13 Allowed 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 125.685 1.594 . . . . 0.0 115.218 -173.017 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -137.98 -68.94 0.45 Allowed 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 114.812 -1.086 . . . . 0.0 113.161 177.5 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -74.46 -173.66 1.81 Allowed 'General case' 0 CA--C 1.555 1.147 0 N-CA-C 115.461 1.652 . . . . 0.0 115.461 173.334 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 66.6 p -99.6 148.06 24.71 Favored 'General case' 0 N--CA 1.475 0.808 0 O-C-N 119.554 -1.966 . . . . 0.0 112.96 174.088 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 52.5 t -62.46 -48.72 78.42 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 114.247 1.203 . . . . 0.0 114.247 -173.869 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.3 mp0 -66.89 -32.39 73.61 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.128 0.971 . . . . 0.0 113.471 179.861 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -62.61 -50.78 69.88 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.078 1.351 . . . . 0.0 112.185 169.211 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.581 ' O ' HD13 ' A' ' 41' ' ' ILE . 19.3 ttp180 -54.86 -52.98 61.1 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 114.683 -1.144 . . . . 0.0 111.129 172.937 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -81.12 -2.66 49.25 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 117.28 2.326 . . . . 0.0 117.28 176.095 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.19 -36.36 81.59 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 119.615 -1.928 . . . . 0.0 112.266 152.535 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 49.3 mtt85 -70.52 -38.45 74.25 Favored 'General case' 0 CA--C 1.551 1.019 0 N-CA-C 113.58 0.956 . . . . 0.0 113.58 169.037 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.581 HD13 ' O ' ' A' ' 37' ' ' ARG 0.313 3.4 mp -73.23 84.89 0.46 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.938 0 CA-C-O 127.184 3.373 . . . . 0.0 113.934 170.582 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 32.3 mmtm -92.47 14.71 15.9 Favored 'General case' 0 CA--C 1.547 0.832 1 CA-C-N 107.162 -4.563 . . . . 0.0 116.172 -175.974 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 83.2 mt -65.26 -42.11 93.15 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.933 0 CA-C-N 119.916 1.235 . . . . 0.0 113.695 -171.177 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -178.03 159.94 25.92 Favored Glycine 0 CA--C 1.545 1.957 0 CA-C-O 117.349 -1.806 . . . . 0.0 114.983 173.856 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_exo -51.64 -49.87 15.81 Favored 'Trans proline' 0 C--N 1.361 1.185 0 C-N-CA 125.213 3.942 . . . . 0.0 116.245 179.378 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -68.39 -24.61 64.79 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 113.639 0.978 . . . . 0.0 113.639 174.986 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -71.2 -53.74 13.39 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 117.629 -1.177 . . . . 0.0 110.852 172.966 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -51.0 -40.27 20.54 Favored 'Isoleucine or valine' 0 C--N 1.352 0.692 0 CA-C-N 120.68 1.582 . . . . 0.0 114.494 167.176 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.0 tttm -63.39 -49.81 72.34 Favored 'General case' 0 CA--C 1.555 1.168 0 N-CA-C 114.455 1.28 . . . . 0.0 114.455 173.607 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.28 -44.99 84.48 Favored 'General case' 0 N--CA 1.481 1.075 0 CA-C-N 120.921 1.691 . . . . 0.0 111.152 170.496 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.431 ' CE2' HD11 ' A' ' 41' ' ' ILE . 3.4 t80 -53.61 -60.24 3.57 Favored 'General case' 0 C--N 1.349 0.56 0 C-N-CA 124.53 1.132 . . . . 0.0 111.414 174.087 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -59.49 -40.95 88.68 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 119.482 1.037 . . . . 0.0 113.349 -178.864 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.419 ' O ' HG12 ' A' ' 57' ' ' ILE . 15.2 t70 -60.89 -55.63 30.77 Favored 'General case' 0 CA--C 1.549 0.918 0 CA-C-N 119.938 1.244 . . . . 0.0 112.239 176.226 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.9 m -58.8 -44.93 90.91 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 171.869 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 12.3 t -61.85 -40.38 95.12 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 119.956 1.253 . . . . 0.0 112.82 177.464 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -60.37 -49.97 75.48 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-O 117.499 -1.239 . . . . 0.0 112.289 169.248 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.419 HG12 ' O ' ' A' ' 53' ' ' ASP . 14.5 mm -59.8 -46.38 93.72 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 CA-C-N 120.671 1.578 . . . . 0.0 111.894 176.755 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.65 -50.55 71.74 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.346 1.058 . . . . 0.0 113.472 173.678 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -64.93 -35.95 82.81 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 119.347 0.976 . . . . 0.0 113.285 177.344 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 29.6 tp60 -66.87 -46.55 74.62 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 119.515 1.052 . . . . 0.0 111.946 172.717 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 71.1 t -64.22 -43.22 97.25 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.722 0 O-C-N 121.438 -0.789 . . . . 0.0 112.631 173.976 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 28.2 mmm180 -67.14 -27.21 67.12 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 120.487 1.494 . . . . 0.0 114.822 173.949 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.85 -54.84 11.69 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 120.188 1.358 . . . . 0.0 112.653 164.741 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -78.62 62.65 3.23 Favored 'General case' 0 CA--C 1.55 0.959 0 CA-C-O 122.994 1.378 . . . . 0.0 114.579 -179.216 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -108.05 -52.55 2.75 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-O 117.958 -1.02 . . . . 0.0 113.304 173.271 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . . . . . . . . 1 C--N 1.233 -4.465 0 CA-C-N 119.848 1.204 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.546 0.809 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 . . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 84.7 mt -110.74 9.63 22.71 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 113.849 1.055 . . . . 0.0 113.849 -178.27 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 21.4 mp0 -58.6 -38.03 77.08 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 115.353 1.612 . . . . 0.0 115.353 -176.691 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -76.02 -28.6 57.81 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 114.825 1.417 . . . . 0.0 114.825 172.45 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.2 tttm -63.29 -42.14 99.05 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 120.39 1.45 . . . . 0.0 110.924 165.978 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.3 mp -59.72 -43.08 90.72 Favored 'Isoleucine or valine' 0 C--N 1.342 0.275 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.929 168.407 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -63.63 -42.68 98.13 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 123.129 2.695 . . . . 0.0 114.379 169.387 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -55.12 -41.33 71.56 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.782 1.233 . . . . 0.0 114.053 175.855 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -143.97 56.7 1.33 Allowed 'General case' 0 N--CA 1.472 0.665 0 CA-C-O 125.053 2.359 . . . . 0.0 111.491 175.684 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.54 -51.32 70.39 Favored 'General case' 0 CA--C 1.549 0.917 1 N-CA-C 121.858 4.022 . . . . 0.0 121.858 81.165 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.31 -46.64 66.64 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 117.925 2.565 . . . . 0.0 117.925 -173.7 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 30.6 ttmt -51.99 -3.05 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.124 0 N-CA-C 118.615 2.82 . . . . 0.0 118.615 -174.786 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -92.76 -109.9 0.11 Allowed 'General case' 0 CA--C 1.551 0.991 0 O-C-N 119.538 -1.976 . . . . 0.0 109.784 -177.171 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -107.33 43.19 1.2 Allowed 'General case' 0 CA--C 1.547 0.848 0 O-C-N 118.726 -2.484 . . . . 0.0 111.554 160.591 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 56.4 -94.86 0.05 OUTLIER 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 126.124 1.77 . . . . 0.0 114.734 179.056 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.37 -53.63 22.69 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 116.248 1.944 . . . . 0.0 116.248 -155.0 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 35.4 ttm -70.09 -34.11 72.73 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.589 0.756 . . . . 0.0 112.244 -176.81 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -78.42 -45.27 22.7 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.04 0.936 . . . . 0.0 112.599 178.322 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 51.3 tttp -44.16 -43.66 7.22 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 117.432 2.382 . . . . 0.0 117.432 151.823 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.0 tptp -63.77 -33.53 75.87 Favored 'General case' 0 CA--C 1.558 1.267 0 CA-C-N 122.427 2.376 . . . . 0.0 113.321 170.257 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 63.1 m -59.22 -42.42 90.95 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 121.25 1.841 . . . . 0.0 114.206 166.019 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.6 t -48.8 -51.57 28.61 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.814 0.846 . . . . 0.0 110.683 164.285 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.303 5.6 m-30 -73.86 -21.42 60.1 Favored 'General case' 0 CA--C 1.551 1.014 0 N-CA-C 114.314 1.227 . . . . 0.0 114.314 -174.658 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -60.47 -42.68 96.71 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.448 0.699 . . . . 0.0 112.882 158.334 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.28 -47.49 84.17 Favored Glycine 0 CA--C 1.535 1.3 0 N-CA-C 115.219 0.847 . . . . 0.0 115.219 170.109 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.29 -36.46 80.12 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 177.977 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -67.89 93.21 0.39 Allowed 'General case' 0 CA--C 1.55 0.971 0 CA-C-N 119.162 0.892 . . . . 0.0 110.872 163.45 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 66.8 ttt180 -127.61 130.95 49.89 Favored 'General case' 0 CA--C 1.546 0.803 0 O-C-N 120.747 -1.221 . . . . 0.0 113.572 169.109 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 15.1 p30 -98.79 171.6 7.98 Favored 'General case' 0 CA--C 1.552 1.026 0 O-C-N 121.069 -1.019 . . . . 0.0 112.771 162.215 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -59.2 -24.58 63.24 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 116.121 1.897 . . . . 0.0 116.121 -174.165 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -84.26 -27.57 27.8 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 113.909 1.077 . . . . 0.0 113.909 179.692 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -71.15 135.02 47.4 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 114.844 1.424 . . . . 0.0 114.844 -177.394 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 80.4 m -115.26 130.69 56.98 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 120.823 -1.173 . . . . 0.0 110.715 173.225 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 93.0 m -55.12 -59.05 5.29 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 115.588 1.699 . . . . 0.0 115.588 -161.78 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -79.27 -15.01 58.65 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 114.319 1.229 . . . . 0.0 114.319 -178.404 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -67.64 -58.16 5.16 Favored 'General case' 0 C--O 1.242 0.689 0 CA-C-N 119.511 1.051 . . . . 0.0 110.533 167.12 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.562 ' O ' HD13 ' A' ' 41' ' ' ILE . 28.7 ptt180 -66.91 -37.61 84.68 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 117.492 -1.242 . . . . 0.0 111.839 176.568 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . 0.259 . . -89.65 11.03 20.97 Favored 'General case' 0 CA--C 1.55 0.969 0 CA-C-N 122.29 2.313 . . . . 0.0 116.636 172.339 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.13 -41.6 63.8 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 119.228 -2.17 . . . . 0.0 111.769 142.263 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 36.1 ttp-105 -69.45 -40.5 77.15 Favored 'General case' 0 CA--C 1.556 1.211 0 N-CA-C 114.01 1.115 . . . . 0.0 114.01 172.686 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.562 HD13 ' O ' ' A' ' 37' ' ' ARG . 3.3 mp -72.83 83.73 0.41 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.839 0 CA-C-O 127.021 3.296 . . . . 0.0 112.011 160.896 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -100.43 19.14 17.31 Favored 'General case' 0 CA--C 1.548 0.884 1 CA-C-N 107.442 -4.435 . . . . 0.0 115.225 -174.817 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 81.0 mt -66.11 -41.13 88.89 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.866 0 C-N-CA 124.095 0.958 . . . . 0.0 113.492 -171.292 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -174.14 158.97 28.02 Favored Glycine 0 CA--C 1.544 1.899 0 CA-C-O 117.617 -1.657 . . . . 0.0 115.402 174.825 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -51.31 -46.1 33.3 Favored 'Trans proline' 0 C--N 1.361 1.202 0 C-N-CA 125.297 3.998 . . . . 0.0 116.068 176.924 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 57.9 mtmt -67.7 -28.54 67.76 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.946 0.898 . . . . 0.0 113.042 175.314 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 47.2 t -70.23 -54.62 11.98 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-O 117.188 -1.386 . . . . 0.0 110.852 173.684 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -49.94 -42.46 18.88 Favored 'Isoleucine or valine' 0 C--N 1.352 0.683 0 CA-C-N 120.605 1.548 . . . . 0.0 114.65 167.907 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 32.5 tttm -62.74 -52.56 62.75 Favored 'General case' 0 CA--C 1.551 0.986 0 CA-C-O 117.441 -1.266 . . . . 0.0 113.72 173.133 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.22 -44.11 75.12 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 121.192 1.815 . . . . 0.0 111.162 173.334 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.447 ' CE2' HD11 ' A' ' 41' ' ' ILE . 3.2 t80 -55.13 -55.02 35.82 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.719 1.208 . . . . 0.0 112.22 172.956 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 18.4 tppt? -63.75 -39.94 95.49 Favored 'General case' 0 CA--C 1.55 0.961 0 CA-C-N 119.685 1.13 . . . . 0.0 113.793 179.03 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -53.95 -57.44 11.0 Favored 'General case' 0 CA--C 1.554 1.123 0 CA-C-N 120.466 1.485 . . . . 0.0 112.798 170.465 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 5.9 m -61.18 -34.34 74.9 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 115.702 1.741 . . . . 0.0 115.702 170.973 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -66.55 -34.27 77.53 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 121.065 1.757 . . . . 0.0 112.322 171.596 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -58.84 -47.07 86.15 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-O 116.576 -1.678 . . . . 0.0 112.852 164.239 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.481 1.9 pp -70.54 -28.27 34.12 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 CA-C-N 122.987 2.63 . . . . 0.0 115.353 171.75 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.73 -42.78 84.57 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 121.646 2.021 . . . . 0.0 112.549 168.032 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -62.24 -46.51 88.51 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 113.335 0.865 . . . . 0.0 113.335 168.381 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -59.78 -46.72 88.3 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 119.379 0.99 . . . . 0.0 112.914 174.48 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 71.5 t -62.79 -42.46 96.4 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.637 0 CA-C-O 117.966 -1.016 . . . . 0.0 112.35 173.833 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.68 HH11 ' N ' ' A' ' 66' ' ' SER . 25.3 tpt85 -69.24 -31.37 69.88 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-N 121.199 1.818 . . . . 0.0 114.194 174.665 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.88 -33.57 74.98 Favored 'General case' 0 CA--C 1.547 0.858 0 O-C-N 120.165 -1.584 . . . . 0.0 113.677 167.597 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -74.65 -51.46 14.37 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 124.593 1.157 . . . . 0.0 113.165 171.991 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -118.9 -61.36 1.66 Allowed 'General case' 0 CA--C 1.549 0.906 0 O-C-N 120.758 -1.214 . . . . 0.0 113.578 -178.114 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.68 ' N ' HH11 ' A' ' 62' ' ' ARG . . . . . . . . 1 C--N 1.237 -4.324 0 CA-C-N 120.596 1.544 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.7 ptp . . . . . 0 CA--C 1.551 0.994 0 N-CA-C 114.432 1.271 . . . . 0.0 114.432 . . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 8.0 mp 59.38 -97.79 0.08 Allowed 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.779 1.631 . . . . 0.0 113.212 178.567 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.36 -47.07 87.56 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 115.258 1.577 . . . . 0.0 115.258 -170.036 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 61.5 tttp -59.53 -43.45 93.44 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.033 1.333 . . . . 0.0 112.947 175.06 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -73.24 -41.69 63.43 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-O 116.846 -1.55 . . . . 0.0 114.023 178.895 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 5.8 mt -61.61 -39.83 84.47 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 CA-C-N 122.562 2.437 . . . . 0.0 110.014 170.918 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -60.13 -62.37 1.92 Allowed 'General case' 0 CA--C 1.543 0.682 0 CA-C-O 117.683 -1.151 . . . . 0.0 111.99 170.95 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -71.95 -23.19 61.41 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 122.494 2.406 . . . . 0.0 115.714 -176.034 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -95.78 -24.47 16.47 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 121.004 1.729 . . . . 0.0 113.527 175.4 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -107.73 21.89 16.76 Favored 'General case' 0 CA--C 1.555 1.137 0 N-CA-C 121.723 3.971 . . . . 0.0 121.723 160.195 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.92 21.65 0.0 OUTLIER 'General case' 0 CA--C 1.558 1.273 0 N-CA-C 121.168 3.766 . . . . 0.0 121.168 -178.934 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 80.0 tttt 51.98 57.01 6.96 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 126.81 2.044 . . . . 0.0 111.776 -173.383 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.1 p90 -125.97 -137.77 0.27 Allowed 'General case' 0 CA--C 1.551 0.996 0 CA-C-N 113.876 -1.511 . . . . 0.0 111.651 -159.184 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -76.14 -52.94 9.05 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.998 1.319 . . . . 0.0 112.857 -177.189 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -89.69 69.48 7.72 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-O 123.986 1.85 . . . . 0.0 112.302 -172.844 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.52 -39.32 90.6 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 111.46 -2.609 . . . . 0.0 115.182 -178.987 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 46.4 ttp -67.84 -31.81 71.9 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 123.891 0.876 . . . . 0.0 112.735 175.666 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -80.11 -40.22 27.96 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.449 1.1 . . . . 0.0 112.825 177.554 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 46.0 tttp -49.08 -43.53 41.16 Favored 'General case' 0 CA--C 1.552 1.024 0 N-CA-C 114.61 1.337 . . . . 0.0 114.61 153.619 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -66.99 -25.59 66.39 Favored 'General case' 0 CA--C 1.56 1.329 0 O-C-N 119.493 -2.004 . . . . 0.0 112.859 171.73 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 56.7 m -62.64 -41.37 99.0 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 121.39 1.905 . . . . 0.0 114.51 161.436 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -48.08 -49.98 29.77 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 118.748 0.703 . . . . 0.0 110.654 162.115 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.318 4.1 m-30 -76.34 -17.87 59.19 Favored 'General case' 0 CA--C 1.551 1.018 0 N-CA-C 114.656 1.354 . . . . 0.0 114.656 -176.024 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -61.09 -45.36 95.02 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-N 119.992 1.269 . . . . 0.0 113.203 154.864 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.76 -45.42 94.89 Favored Glycine 0 CA--C 1.534 1.249 0 CA-C-O 119.284 -0.731 . . . . 0.0 114.217 171.809 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.59 -46.08 84.23 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 113.746 1.017 . . . . 0.0 113.746 173.7 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 23.3 t80 -77.49 73.97 4.06 Favored 'General case' 0 CA--C 1.552 1.022 0 CA-C-O 123.863 1.792 . . . . 0.0 111.123 172.4 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 21.0 ttt-85 -74.46 123.01 23.93 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 113.48 -1.691 . . . . 0.0 114.278 -178.4 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -148.52 -73.06 0.19 Allowed 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 115.709 1.744 . . . . 0.0 115.709 -175.196 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -67.06 0.33 2.69 Favored 'General case' 0 CA--C 1.553 1.063 0 N-CA-C 118.88 2.919 . . . . 0.0 118.88 -166.249 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -161.48 152.76 18.62 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 121.346 1.885 . . . . 0.0 112.809 173.905 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -69.01 -36.02 77.33 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 114.121 1.156 . . . . 0.0 114.121 168.311 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 12.1 t -113.33 137.34 51.64 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 123.1 2.682 . . . . 0.0 114.021 -177.099 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 84.2 m -63.71 -47.68 80.16 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 115.676 1.732 . . . . 0.0 115.676 -166.066 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.28 -28.11 61.05 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-O 117.811 -1.09 . . . . 0.0 113.827 -175.506 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.36 -45.48 69.26 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 121.528 1.967 . . . . 0.0 110.471 170.154 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.559 ' O ' HD13 ' A' ' 41' ' ' ILE . 34.0 ttt180 -53.61 -53.8 46.63 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.97 0.908 . . . . 0.0 111.261 171.14 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -85.9 6.13 29.79 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 116.994 2.22 . . . . 0.0 116.994 175.824 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.35 -32.2 64.39 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 119.519 -1.988 . . . . 0.0 112.663 149.073 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 63.4 mtt180 -67.95 -42.4 81.02 Favored 'General case' 0 CA--C 1.55 0.969 0 CA-C-N 118.988 0.813 . . . . 0.0 111.993 167.583 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.559 HD13 ' O ' ' A' ' 37' ' ' ARG 0.277 3.4 mp -76.81 85.17 0.79 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.913 0 CA-C-O 126.944 3.259 . . . . 0.0 113.538 170.467 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 60.0 mtpt -84.5 0.66 48.96 Favored 'General case' 0 CA--C 1.545 0.765 1 CA-C-N 107.549 -4.387 . . . . 0.0 116.631 -173.284 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 75.2 mt -63.36 -41.57 93.21 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.921 0 N-CA-C 114.719 1.377 . . . . 0.0 114.719 -163.698 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 177.78 168.5 37.47 Favored Glycine 0 CA--C 1.546 1.986 0 CA-C-N 120.801 1.637 . . . . 0.0 116.628 174.389 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_exo -51.86 -52.55 8.72 Favored 'Trans proline' 0 C--N 1.363 1.315 1 C-N-CA 125.323 4.015 . . . . 0.0 115.862 176.404 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 14.0 mmmt -54.98 -35.8 64.71 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.58 1.152 . . . . 0.0 113.717 171.274 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 45.1 t -67.17 -59.98 2.99 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 116.569 -1.681 . . . . 0.0 110.804 177.058 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -48.59 -43.39 13.36 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 CA-C-N 120.944 1.702 . . . . 0.0 115.512 171.14 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.7 mtpm? -60.18 -57.09 14.29 Favored 'General case' 0 CA--C 1.552 1.031 0 N-CA-C 115.256 1.576 . . . . 0.0 115.256 174.414 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.21 -46.84 72.57 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 124.033 0.933 . . . . 0.0 110.626 172.405 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.434 ' CE2' HD11 ' A' ' 41' ' ' ILE . 3.4 t80 -54.73 -54.36 42.88 Favored 'General case' 0 C--N 1.349 0.582 0 C-N-CA 124.734 1.214 . . . . 0.0 112.124 174.464 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 8.0 tptp -61.84 -40.91 96.98 Favored 'General case' 0 C--O 1.242 0.693 0 N-CA-C 114.235 1.198 . . . . 0.0 114.235 -176.742 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -71.77 -41.32 68.51 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 114.289 1.218 . . . . 0.0 114.289 175.242 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 4.6 m -61.92 -35.02 77.16 Favored 'General case' 0 CA--C 1.549 0.923 0 N-CA-C 114.509 1.3 . . . . 0.0 114.509 166.484 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 5.7 t -63.78 -34.91 78.96 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 120.884 1.675 . . . . 0.0 112.469 171.16 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -59.08 -52.22 66.69 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-O 116.481 -1.723 . . . . 0.0 113.298 164.123 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.417 1.8 pp -69.1 -27.14 34.01 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 CA-C-N 122.93 2.605 . . . . 0.0 115.065 175.998 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.3 -47.64 84.64 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.826 0.85 . . . . 0.0 112.484 168.565 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 53.9 m-80 -63.61 -35.73 81.46 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 171.023 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -62.01 -52.68 63.0 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-O 117.294 -1.336 . . . . 0.0 113.414 169.539 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 33.6 m -68.2 -24.63 30.18 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 CA-C-N 121.862 2.119 . . . . 0.0 114.151 176.608 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 15.8 ttp85 -65.56 -43.47 89.76 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 119.614 1.097 . . . . 0.0 112.721 166.614 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -80.71 -52.39 7.6 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 114.636 1.347 . . . . 0.0 114.636 175.116 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -79.52 66.47 4.99 Favored 'General case' 0 CA--C 1.549 0.912 0 CA-C-O 123.267 1.508 . . . . 0.0 112.816 -173.906 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -97.27 129.6 44.56 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.531 175.229 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . . . . . . . . 1 C--N 1.23 -4.602 0 CA-C-N 117.951 0.342 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 33.7 mmt . . . . . 0 CA--C 1.545 0.757 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 . . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 95.1 mt -80.09 40.72 0.49 Allowed 'General case' 0 CA--C 1.554 1.124 0 N-CA-C 114.852 1.427 . . . . 0.0 114.852 -173.67 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 19.6 mm100 -62.07 -43.49 98.73 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.855 1.262 . . . . 0.0 113.458 -170.823 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 22.7 tptp -61.53 -35.53 77.99 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.682 1.193 . . . . 0.0 113.061 174.555 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 22.0 mmtm -71.49 -39.78 70.65 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-O 117.202 -1.38 . . . . 0.0 113.949 175.814 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 5.2 mp -61.16 -44.98 99.41 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.178 0 CA-C-N 121.837 2.108 . . . . 0.0 110.358 167.107 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.3 tm-20 -57.83 -45.9 85.49 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-O 117.956 -1.021 . . . . 0.0 112.463 174.152 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -63.45 -44.88 93.22 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 122.257 2.299 . . . . 0.0 114.305 174.005 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.443 ' O ' ' HE1' ' A' ' 13' ' ' TYR . 7.0 mm-40 -73.18 -39.29 65.72 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 114.395 1.257 . . . . 0.0 114.395 177.221 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -106.12 43.42 1.14 Allowed 'General case' 0 CA--C 1.55 0.95 0 N-CA-C 119.692 3.219 . . . . 0.0 119.692 163.56 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.71 20.09 0.01 OUTLIER 'General case' 0 CA--C 1.557 1.234 0 N-CA-C 118.557 2.799 . . . . 0.0 118.557 168.141 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt 44.49 55.77 5.5 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 127.258 2.223 . . . . 0.0 113.97 -172.978 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.443 ' HE1' ' O ' ' A' ' 9' ' ' GLU . 1.7 p90 -122.25 -129.27 0.27 Allowed 'General case' 0 CA--C 1.551 0.998 0 CA-C-N 114.2 -1.363 . . . . 0.0 112.782 -156.157 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 34.0 mtpt -76.3 -52.76 9.32 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 120.404 -1.435 . . . . 0.0 112.555 -177.686 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 36.9 m-85 -89.94 72.39 7.47 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-O 123.546 1.641 . . . . 0.0 112.5 -167.72 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.96 -42.91 81.01 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 111.634 -2.53 . . . . 0.0 115.157 -178.178 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 34.8 ttm -68.81 -28.79 67.08 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.291 1.036 . . . . 0.0 112.651 176.027 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 45.3 mt -92.17 -35.4 13.87 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 121.164 -0.96 . . . . 0.0 111.788 -173.862 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.02 -30.04 68.89 Favored 'General case' 0 CA--C 1.552 1.024 0 O-C-N 119.785 -1.822 . . . . 0.0 114.328 153.341 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.3 tmtm? -65.73 -34.24 77.73 Favored 'General case' 0 CA--C 1.553 1.09 0 CA-C-N 122.632 2.469 . . . . 0.0 111.739 165.933 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 67.8 m -56.22 -41.01 74.96 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 121.471 1.942 . . . . 0.0 114.24 163.754 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -49.46 -53.2 24.29 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 118.618 0.644 . . . . 0.0 110.875 161.576 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.292 6.8 m-30 -74.29 -19.71 60.38 Favored 'General case' 0 CA--C 1.551 1.01 0 N-CA-C 114.783 1.401 . . . . 0.0 114.783 -174.903 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -61.11 -45.46 94.6 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.843 0.857 . . . . 0.0 112.582 157.02 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.24 -44.01 97.9 Favored Glycine 0 CA--C 1.534 1.262 0 C-N-CA 123.778 0.704 . . . . 0.0 114.77 171.269 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.03 -41.15 97.53 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 113.304 0.853 . . . . 0.0 113.304 173.948 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -71.56 76.02 0.8 Allowed 'General case' 0 CA--C 1.551 1.013 0 CA-C-O 123.568 1.651 . . . . 0.0 111.137 168.565 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -104.2 81.12 1.79 Allowed 'General case' 0 CA--C 1.544 0.72 0 CA-C-O 123.301 1.524 . . . . 0.0 110.401 173.248 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -125.56 -34.39 2.67 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 114.772 -1.103 . . . . 0.0 113.397 175.116 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.62 -67.56 0.37 Allowed 'General case' 0 CA--C 1.548 0.885 0 N-CA-C 115.537 1.68 . . . . 0.0 115.537 174.031 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -118.97 136.58 54.02 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 120.264 1.393 . . . . 0.0 111.643 177.663 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -60.54 -49.4 77.71 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 114.979 1.474 . . . . 0.0 114.979 176.322 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 25.6 m -81.25 109.52 15.86 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.498 0.719 . . . . 0.0 112.148 -175.52 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 66.8 m -56.04 -47.92 76.96 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.174 1.39 . . . . 0.0 114.711 -178.453 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -66.16 -31.05 71.67 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 113.814 1.042 . . . . 0.0 113.814 -178.397 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -66.66 -55.35 15.59 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 120.367 1.439 . . . . 0.0 110.546 175.777 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.599 ' O ' HD13 ' A' ' 41' ' ' ILE . 11.9 ptt180 -64.85 -39.26 93.27 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-O 118.249 -0.881 . . . . 0.0 111.824 177.352 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -84.58 1.47 45.82 Favored 'General case' 0 CA--C 1.548 0.882 0 N-CA-C 116.579 2.066 . . . . 0.0 116.579 172.986 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -72.95 -33.61 66.01 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 119.58 -1.95 . . . . 0.0 112.407 147.459 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 38.4 mtm105 -71.36 -40.44 70.63 Favored 'General case' 0 CA--C 1.553 1.089 0 N-CA-C 114.308 1.225 . . . . 0.0 114.308 168.165 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.599 HD13 ' O ' ' A' ' 37' ' ' ARG 0.293 3.3 mp -70.41 89.57 0.3 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.926 0 CA-C-O 126.464 3.031 . . . . 0.0 113.153 167.848 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -81.18 -17.33 50.09 Favored 'General case' 0 CA--C 1.542 0.647 1 CA-C-N 107.806 -4.27 . . . . 0.0 117.104 -174.804 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 69.2 mt -53.32 -41.29 43.29 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.94 0 N-CA-C 116.031 1.863 . . . . 0.0 116.031 -154.56 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -177.26 162.85 31.15 Favored Glycine 0 CA--C 1.544 1.882 0 CA-C-O 117.678 -1.623 . . . . 0.0 115.532 174.814 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_exo -52.31 -47.53 26.46 Favored 'Trans proline' 0 C--N 1.36 1.159 0 C-N-CA 125.202 3.934 . . . . 0.0 115.948 176.526 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 22.7 tptp -62.42 -34.3 76.48 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 124.989 1.316 . . . . 0.0 112.286 173.606 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 45.8 t -66.06 -59.01 4.21 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 117.736 -1.126 . . . . 0.0 111.41 174.144 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -53.21 -38.06 29.8 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 N-CA-C 115.248 1.573 . . . . 0.0 115.248 172.208 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.6 ttpp -62.42 -52.42 63.63 Favored 'General case' 0 CA--C 1.552 1.05 0 N-CA-C 114.279 1.214 . . . . 0.0 114.279 173.727 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.78 -48.6 69.63 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.637 1.175 . . . . 0.0 112.097 168.421 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.428 ' CE2' HD11 ' A' ' 41' ' ' ILE . 3.2 t80 -54.31 -53.57 52.0 Favored 'General case' 0 C--N 1.347 0.474 0 C-N-CA 124.763 1.225 . . . . 0.0 111.872 175.768 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.41 ' O ' ' HD1' ' A' ' 56' ' ' TYR . 12.6 mptt -60.5 -42.22 95.92 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 113.819 1.044 . . . . 0.0 113.819 178.333 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -61.57 -49.46 76.55 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 120.492 1.496 . . . . 0.0 113.574 175.308 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 16.4 m -65.36 -32.94 74.84 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 114.91 1.448 . . . . 0.0 114.91 171.828 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.04 -30.98 71.61 Favored 'General case' 0 CA--C 1.546 0.816 0 O-C-N 120.022 -1.674 . . . . 0.0 112.509 168.772 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.41 ' HD1' ' O ' ' A' ' 52' ' ' LYS . 22.6 m-85 -63.19 -43.4 98.29 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-O 115.727 -2.082 . . . . 0.0 113.753 163.759 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.473 2.2 pp -67.47 -29.46 45.62 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 CA-C-N 124.555 3.343 . . . . 0.0 114.796 169.451 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.69 -39.06 90.1 Favored 'General case' 0 CA--C 1.55 0.947 0 CA-C-N 120.229 1.377 . . . . 0.0 113.361 166.857 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 28.9 m-80 -67.73 -38.75 83.98 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 114.477 1.288 . . . . 0.0 114.477 166.782 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -61.0 -36.38 79.33 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 120.543 1.52 . . . . 0.0 113.239 169.147 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 91.1 t -64.36 -42.92 96.8 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.826 0 CA-C-N 120.729 1.604 . . . . 0.0 112.855 167.602 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 40.0 ttp180 -64.45 -44.37 91.32 Favored 'General case' 0 CA--C 1.55 0.945 0 N-CA-C 114.172 1.175 . . . . 0.0 114.172 172.796 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -98.05 -37.17 9.86 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 117.189 2.292 . . . . 0.0 117.189 -177.568 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -119.71 -51.66 2.26 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 122.386 2.357 . . . . 0.0 114.601 -166.053 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -104.02 -64.48 1.1 Allowed 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 114.281 1.215 . . . . 0.0 114.281 -168.156 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . . . . . . . . 1 C--N 1.233 -4.498 0 CA-C-N 119.801 1.182 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 34.2 ttm . . . . . 0 CA--C 1.548 0.889 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 . . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.505 ' O ' HD13 ' A' ' 6' ' ' ILE . 73.3 mt -72.15 -44.24 63.4 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.006 0.922 . . . . 0.0 112.663 -179.567 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.3 pm0 -62.03 -38.7 89.7 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.304 1.042 . . . . 0.0 113.053 176.446 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 58.6 tttm -58.53 -46.23 87.22 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.135 0.974 . . . . 0.0 111.05 168.533 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 33.1 mmtt -68.47 -34.29 75.67 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 116.647 2.092 . . . . 0.0 116.647 177.526 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.505 HD13 ' O ' ' A' ' 2' ' ' LEU . 4.6 mp -61.13 -48.68 87.89 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.259 0 CA-C-N 124.495 3.316 . . . . 0.0 109.92 165.057 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -56.84 -46.17 81.89 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 175.491 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -68.41 -43.97 76.06 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 120.497 1.499 . . . . 0.0 114.237 177.634 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.43 ' O ' ' HE1' ' A' ' 13' ' ' TYR . 65.7 mm-40 -78.67 -27.18 45.13 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 120.17 1.35 . . . . 0.0 113.446 176.374 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -104.9 25.4 10.51 Favored 'General case' 0 CA--C 1.553 1.067 0 N-CA-C 121.766 3.988 . . . . 0.0 121.766 162.669 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.23 17.56 0.0 OUTLIER 'General case' 0 CA--C 1.557 1.235 0 N-CA-C 120.823 3.638 . . . . 0.0 120.823 176.94 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? 51.18 56.23 8.29 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 126.812 2.045 . . . . 0.0 111.531 -173.831 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.43 ' HE1' ' O ' ' A' ' 9' ' ' GLU . 4.9 p90 -120.97 -141.44 0.34 Allowed 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 113.981 -1.463 . . . . 0.0 111.274 -159.64 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.1 tptp -76.34 -36.33 58.28 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 120.686 -1.259 . . . . 0.0 113.356 -176.271 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -106.74 72.36 0.9 Allowed 'General case' 0 CA--C 1.546 0.812 0 CA-C-O 124.425 2.06 . . . . 0.0 112.912 -175.012 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.67 -37.86 88.05 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 111.159 -2.746 . . . . 0.0 114.822 179.666 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.9 mpp? -67.17 -31.76 72.4 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 123.871 0.868 . . . . 0.0 113.114 175.146 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -78.73 -39.79 35.31 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.326 1.05 . . . . 0.0 112.671 176.634 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.2 tttt -51.56 -44.66 62.79 Favored 'General case' 0 CA--C 1.552 1.028 0 N-CA-C 114.943 1.46 . . . . 0.0 114.943 155.412 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.2 tmtm? -62.34 -31.3 71.91 Favored 'General case' 0 CA--C 1.552 1.03 0 O-C-N 119.725 -1.859 . . . . 0.0 111.825 170.759 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 12.8 t -63.01 -38.03 89.55 Favored 'General case' 0 CA--C 1.555 1.142 0 CA-C-N 120.896 1.68 . . . . 0.0 114.268 166.935 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.4 t -48.22 -51.99 22.96 Favored 'General case' 0 N--CA 1.481 1.102 0 CA-C-N 119.237 0.926 . . . . 0.0 110.476 159.933 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.403 ' O ' ' HD2' ' A' ' 27' ' ' TYR 0.296 5.9 m-30 -73.9 -22.97 59.51 Favored 'General case' 0 CA--C 1.55 0.965 0 N-CA-C 114.34 1.237 . . . . 0.0 114.34 -175.646 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -61.27 -35.17 76.57 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 113.509 0.929 . . . . 0.0 113.509 158.87 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.97 -41.98 53.48 Favored Glycine 0 CA--C 1.534 1.267 0 N-CA-C 115.372 0.909 . . . . 0.0 115.372 167.735 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.58 -40.95 96.47 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 114.22 1.193 . . . . 0.0 114.22 177.569 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.403 ' HD2' ' O ' ' A' ' 23' ' ' TYR . 66.2 m-85 -73.17 63.58 0.71 Allowed 'General case' 0 CA--C 1.55 0.953 0 CA-C-O 123.51 1.624 . . . . 0.0 113.366 172.757 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 64.4 ttt180 -100.41 127.8 46.65 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 114.296 -1.32 . . . . 0.0 111.177 177.313 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 17.2 m-80 -114.76 -112.21 0.34 Allowed 'General case' 0 CA--C 1.552 1.028 0 O-C-N 120.926 -1.109 . . . . 0.0 110.302 -178.924 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -76.19 31.12 0.12 Allowed 'General case' 0 CA--C 1.555 1.15 0 O-C-N 119.145 -2.222 . . . . 0.0 114.575 172.099 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -93.12 101.22 13.52 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 120.126 -1.608 . . . . 0.0 110.935 -171.997 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -64.34 -45.13 89.18 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 115.653 1.723 . . . . 0.0 115.653 -177.454 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 38.8 m -125.28 108.73 12.01 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 119.912 1.233 . . . . 0.0 111.773 -175.191 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 60.5 m -61.29 -44.27 97.5 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 114.635 1.346 . . . . 0.0 114.635 -176.868 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . 0.261 0.9 OUTLIER -73.89 -6.74 49.03 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 115.005 1.483 . . . . 0.0 115.005 178.941 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -78.69 -51.01 10.44 Favored 'General case' 0 CA--C 1.548 0.88 0 CA-C-N 121.277 1.853 . . . . 0.0 110.059 166.146 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.495 ' O ' HD13 ' A' ' 41' ' ' ILE . 45.4 ttt180 -55.94 -46.42 78.51 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 114.765 -1.107 . . . . 0.0 111.475 169.326 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . 0.258 . . -92.12 16.68 10.82 Favored 'General case' 0 CA--C 1.55 0.968 0 N-CA-C 116.964 2.209 . . . . 0.0 116.964 171.285 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -74.4 -38.97 62.96 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 118.939 -2.351 . . . . 0.0 112.152 140.31 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 78.3 mtt85 -68.23 -44.4 75.8 Favored 'General case' 0 CA--C 1.55 0.963 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 171.111 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.495 HD13 ' O ' ' A' ' 37' ' ' ARG . 3.4 mp -73.08 83.62 0.43 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.902 0 CA-C-O 127.055 3.312 . . . . 0.0 112.012 162.12 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 62.1 pttt -98.52 10.8 40.11 Favored 'General case' 0 CA--C 1.546 0.812 1 CA-C-N 107.45 -4.432 . . . . 0.0 115.635 -173.207 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 64.6 mt -66.46 -39.99 85.39 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.876 0 N-CA-C 114.087 1.143 . . . . 0.0 114.087 -165.656 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -173.96 166.81 39.09 Favored Glycine 0 CA--C 1.547 2.057 0 CA-C-N 120.69 1.586 . . . . 0.0 116.965 175.85 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_exo -53.69 -49.62 16.61 Favored 'Trans proline' 0 C--N 1.361 1.22 0 C-N-CA 125.248 3.965 . . . . 0.0 115.882 174.48 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.0 mtpp -59.62 -32.82 70.77 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 171.596 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 15.0 t -67.21 -61.04 2.11 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 116.899 -1.524 . . . . 0.0 109.905 176.375 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -49.74 -40.19 15.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 CA-C-N 121.066 1.757 . . . . 0.0 115.094 171.306 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -63.91 -55.25 24.01 Favored 'General case' 0 CA--C 1.548 0.885 0 CA-C-O 117.217 -1.373 . . . . 0.0 113.523 172.634 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.49 -47.08 63.34 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 120.979 1.718 . . . . 0.0 110.714 172.562 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.433 ' CE2' HD11 ' A' ' 41' ' ' ILE . 3.3 t80 -56.01 -54.71 41.58 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.112 1.365 . . . . 0.0 112.932 175.198 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 55.4 tptt -63.66 -36.83 85.13 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 118.979 0.808 . . . . 0.0 113.014 -179.666 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -65.28 -48.16 74.16 Favored 'General case' 0 CA--C 1.549 0.904 0 O-C-N 120.992 -1.067 . . . . 0.0 112.706 174.788 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 8.8 m -64.09 -31.24 72.36 Favored 'General case' 0 CA--C 1.55 0.957 0 N-CA-C 114.818 1.414 . . . . 0.0 114.818 169.938 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 53.2 t -58.16 -42.61 86.36 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 121.033 1.742 . . . . 0.0 112.395 163.786 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -58.41 -45.97 87.36 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-O 116.8 -1.571 . . . . 0.0 113.802 169.587 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.479 2.1 pp -69.81 -28.16 35.92 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 CA-C-N 123.015 2.643 . . . . 0.0 115.259 171.544 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.71 -39.85 86.0 Favored 'General case' 0 CA--C 1.551 0.999 0 CA-C-N 120.864 1.665 . . . . 0.0 113.274 167.218 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 -64.86 -41.72 95.45 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 113.647 0.98 . . . . 0.0 113.647 167.779 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 26.8 tp60 -62.48 -38.95 91.82 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 123.471 0.708 . . . . 0.0 112.905 174.528 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 78.6 t -61.79 -42.68 95.42 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.811 0 CA-C-N 118.858 0.753 . . . . 0.0 112.707 168.582 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 58.5 mtt85 -61.0 -36.29 79.1 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 114.619 1.34 . . . . 0.0 114.619 170.261 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.1 -58.44 3.56 Favored 'General case' 0 CA--C 1.546 0.821 0 CA-C-N 119.278 0.945 . . . . 0.0 113.29 169.544 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -81.81 68.52 8.22 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-O 123.238 1.494 . . . . 0.0 113.931 -177.164 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -93.58 130.23 39.55 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-N 114.762 -1.108 . . . . 0.0 113.585 172.026 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . . . . . . . . 1 C--N 1.23 -4.592 0 O-C-N 122.046 -0.409 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 33.6 mmt . . . . . 0 CA--C 1.547 0.85 0 N-CA-C 115.48 1.659 . . . . 0.0 115.48 . . . . . . . . . 0 0 . 1 . 041 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 11.3 mp -71.26 48.06 0.13 Allowed 'General case' 0 CA--C 1.559 1.327 0 N-CA-C 116.795 2.146 . . . . 0.0 116.795 -173.3 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -57.6 -53.13 61.61 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.055 1.342 . . . . 0.0 113.102 -174.466 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.6 -38.04 74.24 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.395 1.078 . . . . 0.0 113.498 -177.212 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.3 mtpm? -66.38 -49.81 65.61 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-O 118.428 -0.796 . . . . 0.0 112.698 175.419 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.7 mp -64.76 -40.13 88.0 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 CA-C-N 119.87 1.214 . . . . 0.0 110.944 173.1 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -57.43 -52.51 65.06 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-O 117.619 -1.181 . . . . 0.0 112.423 173.639 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.96 -16.04 63.14 Favored 'General case' 0 CA--C 1.55 0.96 0 CA-C-N 122.927 2.603 . . . . 0.0 115.262 177.152 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -89.97 -38.03 13.93 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 115.859 1.8 . . . . 0.0 115.859 166.503 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -105.82 26.12 10.01 Favored 'General case' 0 CA--C 1.553 1.06 1 N-CA-C 121.93 4.048 . . . . 0.0 121.93 169.296 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.56 27.07 0.0 OUTLIER 'General case' 0 CA--C 1.556 1.176 0 N-CA-C 120.542 3.534 . . . . 0.0 120.542 -177.21 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 98.9 mttt 51.33 47.45 24.82 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 126.65 1.98 . . . . 0.0 112.976 -174.803 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 5.0 p90 -117.54 -146.52 0.4 Allowed 'General case' 0 CA--C 1.549 0.92 0 CA-C-N 115.033 -0.985 . . . . 0.0 111.962 -156.401 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -72.02 -44.23 63.73 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.248 1.419 . . . . 0.0 112.125 -174.551 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -97.98 70.64 2.13 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-O 124.093 1.901 . . . . 0.0 112.691 -177.981 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.77 -35.06 75.48 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 111.377 -2.647 . . . . 0.0 114.014 176.165 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 47.4 mtm -66.6 -32.46 73.8 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.358 1.063 . . . . 0.0 113.139 173.865 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 47.1 mt -87.85 -35.99 17.46 Favored 'General case' 0 CA--C 1.542 0.643 0 O-C-N 121.67 -0.644 . . . . 0.0 111.295 -177.909 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 46.9 tttp -48.7 -43.26 36.96 Favored 'General case' 0 CA--C 1.553 1.088 0 N-CA-C 115.087 1.514 . . . . 0.0 115.087 150.303 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.58 -25.77 66.79 Favored 'General case' 0 CA--C 1.557 1.246 0 O-C-N 118.816 -2.428 . . . . 0.0 112.967 170.399 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 92.8 m -62.18 -40.33 95.66 Favored 'General case' 0 N--CA 1.478 0.929 0 O-C-N 119.555 -1.966 . . . . 0.0 114.226 161.04 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -49.45 -52.85 26.28 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 118.913 0.779 . . . . 0.0 110.807 162.521 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.25 3.9 m-30 -73.06 -26.12 61.17 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 113.956 1.095 . . . . 0.0 113.956 -174.733 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.99 -36.74 75.4 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.503 1.121 . . . . 0.0 113.461 161.275 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -74.56 -39.36 41.69 Favored Glycine 0 CA--C 1.533 1.214 0 N-CA-C 115.7 1.04 . . . . 0.0 115.7 168.244 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.96 -41.95 97.43 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 114.493 1.294 . . . . 0.0 114.493 177.953 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 77.7 m-85 -73.72 70.37 1.38 Allowed 'General case' 0 CA--C 1.55 0.947 0 CA-C-O 123.032 1.396 . . . . 0.0 112.879 173.882 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.7 ttp180 -123.14 147.55 46.69 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-N 115.176 -0.92 . . . . 0.0 112.815 -179.644 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 21.7 m-80 -113.68 -134.17 0.35 Allowed 'General case' 0 CA--C 1.553 1.078 0 O-C-N 120.785 -1.197 . . . . 0.0 110.996 -178.629 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -70.66 5.12 2.02 Favored 'General case' 0 CA--C 1.548 0.897 0 O-C-N 119.39 -2.069 . . . . 0.0 115.794 166.431 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.4 p-10 -80.79 66.73 6.42 Favored 'General case' 0 CA--C 1.551 0.984 0 O-C-N 119.471 -2.018 . . . . 0.0 111.943 174.228 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -56.89 -16.87 7.6 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 116.311 1.967 . . . . 0.0 116.311 -177.474 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 17.8 p -82.11 70.59 9.06 Favored 'General case' 0 CA--C 1.543 0.684 0 O-C-N 119.802 -1.811 . . . . 0.0 112.48 -178.22 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 57.1 m -57.63 -44.1 85.32 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 113.09 -1.868 . . . . 0.0 114.342 -176.96 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 46.2 mp0 -70.07 -23.89 63.15 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 113.545 0.943 . . . . 0.0 113.545 177.61 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -71.57 -53.1 14.87 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 119.373 0.988 . . . . 0.0 110.859 170.866 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.539 ' O ' HD13 ' A' ' 41' ' ' ILE . 55.4 ttt180 -54.87 -48.73 72.58 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 114.516 -1.22 . . . . 0.0 111.309 171.761 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -89.48 11.22 20.01 Favored 'General case' 0 CA--C 1.552 1.045 0 N-CA-C 117.082 2.253 . . . . 0.0 117.082 174.432 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.8 -38.94 64.44 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 119.149 -2.219 . . . . 0.0 111.802 145.783 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 34.0 mtp180 -66.81 -43.6 83.4 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 113.061 0.763 . . . . 0.0 113.061 169.6 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.539 HD13 ' O ' ' A' ' 37' ' ' ARG . 3.5 mp -75.47 82.5 0.61 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.844 0 CA-C-O 127.093 3.33 . . . . 0.0 112.52 164.104 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.42 22.81 11.1 Favored 'General case' 0 CA--C 1.548 0.891 1 CA-C-N 107.673 -4.33 . . . . 0.0 114.883 -174.39 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 46.6 mm -71.41 -44.24 72.01 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 O-C-N 121.15 -0.969 . . . . 0.0 113.467 -169.344 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -173.05 164.03 35.89 Favored Glycine 0 CA--C 1.545 1.95 0 CA-C-O 118.051 -1.416 . . . . 0.0 116.038 176.916 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_exo -52.95 -50.68 13.22 Favored 'Trans proline' 0 C--N 1.361 1.223 0 C-N-CA 125.238 3.958 . . . . 0.0 116.395 178.35 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 38.5 tttm -68.87 -25.04 64.42 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 123.267 0.627 . . . . 0.0 111.83 175.938 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 43.9 t -65.54 -60.0 3.39 Favored 'General case' 0 C--N 1.349 0.58 0 CA-C-O 117.707 -1.14 . . . . 0.0 111.11 171.097 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -50.52 -41.05 19.6 Favored 'Isoleucine or valine' 0 C--N 1.352 0.694 0 N-CA-C 114.678 1.362 . . . . 0.0 114.678 170.291 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.09 -47.87 75.7 Favored 'General case' 0 CA--C 1.554 1.115 0 N-CA-C 115.278 1.585 . . . . 0.0 115.278 174.318 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.33 -46.43 79.92 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 120.519 1.509 . . . . 0.0 111.067 168.206 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.445 ' CE2' HD11 ' A' ' 41' ' ' ILE . 3.4 t80 -54.63 -52.38 62.45 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.923 1.289 . . . . 0.0 112.489 174.838 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -61.66 -41.59 97.74 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 113.288 0.847 . . . . 0.0 113.288 178.864 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -61.19 -47.73 84.78 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 114.183 1.179 . . . . 0.0 114.183 172.082 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 18.1 m -66.42 -29.58 69.76 Favored 'General case' 0 CA--C 1.552 1.026 0 N-CA-C 115.862 1.801 . . . . 0.0 115.862 170.991 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 35.8 t -57.69 -43.03 84.84 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 121.539 1.972 . . . . 0.0 112.017 162.903 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -58.35 -45.64 87.8 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 115.585 -2.15 . . . . 0.0 113.254 168.96 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.504 1.9 pp -70.85 -26.75 28.44 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 CA-C-N 124.403 3.274 . . . . 0.0 115.706 171.302 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.86 -50.6 70.16 Favored 'General case' 0 CA--C 1.548 0.873 0 CA-C-N 122.199 2.272 . . . . 0.0 112.159 167.141 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 71.3 m-80 -66.66 -38.57 87.12 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 173.628 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -67.85 -44.28 77.52 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-O 116.158 -1.877 . . . . 0.0 114.284 171.167 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.8 p -66.36 -25.91 36.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 CA-C-N 123.836 3.016 . . . . 0.0 112.752 176.806 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 44.7 ttt180 -62.13 -32.25 72.81 Favored 'General case' 0 CA--C 1.552 1.053 0 O-C-N 121.319 -0.863 . . . . 0.0 113.244 165.835 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -95.29 -45.92 6.95 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 114.273 1.212 . . . . 0.0 114.273 175.821 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -73.92 60.42 0.74 Allowed 'General case' 0 CA--C 1.553 1.093 0 O-C-N 120.354 -1.466 . . . . 0.0 113.468 -177.591 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -142.37 144.62 33.24 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 114.498 1.296 . . . . 0.0 114.498 179.056 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . . . . . . . . 1 C--N 1.231 -4.581 0 O-C-N 122.009 -0.432 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 76.7 mt . . . . . 0 N--CA 1.48 1.071 0 CA-C-O 118.769 -0.634 . . . . 0.42999999999999999 110.088 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.32 -49.65 73.71 Favored 'General case' 0 C--O 1.219 -0.504 0 CA-C-O 116.412 -1.756 . . . . 1.25 111.966 176.292 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -62.65 -29.19 70.44 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 123.844 3.02 . . . . 1.3300000000000001 115.066 177.616 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 -82.58 -57.79 3.19 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 121.299 1.863 . . . . 0.91000000000000003 112.804 168.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.4 3.53 3.69 Favored 'General case' 0 CA--C 1.556 1.205 0 N-CA-C 117.926 2.565 . . . . 0.0 117.926 173.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.72 -50.63 14.77 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 117.859 -3.026 . . . . 0.0 113.035 157.425 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.7 pttm -82.61 63.82 6.94 Favored 'General case' 0 CA--C 1.549 0.933 0 CA-C-O 123.642 1.687 . . . . 1.0800000000000001 112.313 -174.137 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -52.97 -12.84 0.36 Allowed 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 116.956 2.206 . . . . 1.49 116.956 179.085 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -61.73 -32.74 72.98 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.105 0.962 . . . . 1.55 112.635 162.714 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 -88.72 67.14 8.29 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-O 125.147 2.403 . . . . 0.92000000000000004 110.895 174.598 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.76 -45.47 85.87 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 108.925 -3.762 . . . . 0.0 114.978 -169.032 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 63.7 mtp -65.69 -39.24 91.05 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.543 0.737 . . . . 1.02 112.889 177.377 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -73.89 -45.48 50.56 Favored 'General case' 0 C--O 1.239 0.501 0 C-N-CA 124.372 1.069 . . . . 0.39000000000000001 113.532 -178.16 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.25 -30.39 71.27 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-O 118.179 -0.915 . . . . 1.0600000000000001 112.93 166.025 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.4 tmtm? -69.61 -30.09 67.76 Favored 'General case' 0 CA--C 1.548 0.891 0 CA-C-N 122.438 2.381 . . . . 0.90000000000000002 111.337 168.526 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 96.5 m -56.4 -42.24 77.64 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 122.963 2.62 . . . . 0.41999999999999998 113.452 163.221 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -48.87 -53.75 18.19 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 122.939 0.496 . . . . 0.059999999999999998 111.501 163.401 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.414 ' HA ' ' HB3' ' A' ' 26' ' ' ALA 0.294 5.3 m-30 -71.71 -28.27 63.58 Favored 'General case' 0 CA--C 1.549 0.924 0 N-CA-C 113.776 1.028 . . . . 0.12 113.776 -175.466 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -57.6 -38.27 74.62 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.618 1.167 . . . . 0.71999999999999997 113.41 162.803 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -68.16 -39.44 88.39 Favored Glycine 0 CA--C 1.536 1.393 0 N-CA-C 114.649 0.62 . . . . 0.0 114.649 165.787 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.414 ' HB3' ' HA ' ' A' ' 23' ' ' TYR . . . -69.17 -27.41 65.5 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 115.927 1.825 . . . . 0.0 115.927 179.019 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -68.41 60.66 0.09 Allowed 'General case' 0 CA--C 1.562 1.405 0 CA-C-N 123.421 2.828 . . . . 1.75 112.088 171.236 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.1 tpt180 -77.36 76.73 3.9 Favored 'General case' 0 CA--C 1.546 0.819 0 O-C-N 119.092 -2.255 . . . . 1.73 112.587 -178.572 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 31.7 m120 -114.35 -7.33 12.92 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 112.857 -1.974 . . . . 1.27 112.929 169.201 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -73.73 -36.29 65.16 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 113.896 1.073 . . . . 1.1200000000000001 113.896 175.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 62.32 -25.1 0.05 Allowed 'General case' 0 CA--C 1.549 0.937 0 N-CA-C 117.211 2.301 . . . . 1.21 117.211 179.066 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.62 -148.58 0.01 OUTLIER 'General case' 0 CA--C 1.562 1.441 0 N-CA-C 115.722 1.749 . . . . 1.46 115.722 166.779 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 69.3 m -97.0 96.72 8.69 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 117.945 -2.972 . . . . 0.71999999999999997 111.459 -166.428 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 23.9 p -60.58 -31.73 70.85 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 114.829 1.418 . . . . 0.51000000000000001 114.829 -177.074 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -70.97 -21.06 62.37 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 114.844 1.424 . . . . 1.3500000000000001 114.844 174.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -74.51 -42.53 58.76 Favored 'General case' 0 CA--C 1.548 0.88 0 CA-C-N 120.381 1.446 . . . . 1.46 110.208 169.591 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.582 ' O ' HD12 ' A' ' 41' ' ' ILE . 38.9 mmt180 -62.9 -41.69 99.52 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 114.965 -1.016 . . . . 1.6799999999999999 111.79 169.847 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . 0.264 . . -83.31 3.37 31.78 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 116.954 2.205 . . . . 0.0 116.954 169.155 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.07 -37.63 75.53 Favored 'General case' 0 CA--C 1.546 0.796 0 O-C-N 119.163 -2.211 . . . . 0.0 112.137 146.484 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 81.7 mtt85 -69.88 -42.87 72.88 Favored 'General case' 0 CA--C 1.553 1.065 0 N-CA-C 113.948 1.092 . . . . 1.5800000000000001 113.948 168.674 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.582 HD12 ' O ' ' A' ' 37' ' ' ARG . 3.1 mp -71.38 83.11 0.29 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.98 0 CA-C-O 127.26 3.409 . . . . 0.14999999999999999 112.601 164.607 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.1 pttm -101.37 16.7 24.76 Favored 'General case' 0 CA--C 1.547 0.846 1 CA-C-N 107.416 -4.447 . . . . 1.4399999999999999 115.066 -174.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 49.0 mm -64.59 -35.74 75.49 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.837 0 C-N-CA 124.379 1.072 . . . . 0.41999999999999998 113.612 -169.773 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -171.84 160.3 32.0 Favored Glycine 0 CA--C 1.545 1.948 0 CA-C-O 118.102 -1.388 . . . . 0.0 115.262 173.443 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -52.18 -48.93 19.22 Favored 'Trans proline' 0 C--N 1.362 1.254 0 C-N-CA 124.956 3.771 . . . . 0.0 115.189 173.32 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 40.3 mttm -60.76 -34.25 74.17 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 113.9 1.074 . . . . 0.93000000000000005 113.9 172.046 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 42.3 t -64.39 -56.51 13.87 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-O 117.657 -1.163 . . . . 0.22 111.356 175.443 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -51.39 -45.41 33.56 Favored 'Isoleucine or valine' 0 C--N 1.349 0.584 0 N-CA-C 114.757 1.392 . . . . 0.080000000000000002 114.757 169.446 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -58.58 -52.38 65.92 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 114.991 1.478 . . . . 1.3999999999999999 114.991 174.407 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.61 -52.11 56.86 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.45 1.1 . . . . 0.0 110.739 171.052 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.523 ' CE2' HD13 ' A' ' 41' ' ' ILE . 2.2 t80 -54.76 -54.05 47.08 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.113 1.365 . . . . 0.20000000000000001 112.521 177.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 65.2 tttp -61.42 -47.08 87.4 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.469 1.108 . . . . 1.29 113.379 -178.017 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -69.13 -43.35 74.55 Favored 'General case' 0 C--O 1.244 0.806 0 CA-C-N 120.13 1.332 . . . . 0.63 113.528 179.05 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.3 m -58.37 -45.65 87.85 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-O 116.818 -1.563 . . . . 0.070000000000000007 113.012 169.382 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 51.8 t -57.87 -45.76 85.85 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-N 121.246 1.839 . . . . 0.28999999999999998 112.701 172.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 20.5 m-30 -59.5 -46.77 87.85 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 121.088 1.767 . . . . 1.8500000000000001 113.991 176.672 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 19.2 mm -64.88 -41.88 93.35 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 CA-C-N 120.395 1.452 . . . . 0.63 113.309 173.776 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.85 -43.79 97.85 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 113.755 1.02 . . . . 0.0 113.755 174.633 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -61.72 -46.33 90.1 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.406 1.082 . . . . 0.87 112.767 172.793 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -68.62 -32.99 73.26 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 114.505 1.298 . . . . 1.1699999999999999 114.505 177.258 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . 0.269 31.4 m -72.64 -32.94 43.05 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.722 0 CA-C-N 122.084 2.22 . . . . 0.40999999999999998 113.479 164.775 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 7.9 tpp180 -64.2 -36.59 84.55 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 121.514 1.961 . . . . 1.96 113.73 170.452 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.5 -26.4 65.26 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 114.22 1.193 . . . . 0.0 114.22 168.248 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 . . . . . 0 CA--C 1.547 0.865 0 C-N-CA 123.887 0.875 . . . . 1.1899999999999999 112.069 170.142 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 39.1 mt . . . . . 0 N--CA 1.48 1.061 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -59.29 -63.41 1.31 Allowed 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 116.707 -1.616 . . . . 0.0 112.168 172.296 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -68.08 -20.26 64.94 Favored 'General case' 0 CA--C 1.55 0.961 0 CA-C-N 124.064 3.12 . . . . 0.0 114.602 -175.17 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -87.21 -61.88 1.63 Allowed 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 122.071 2.214 . . . . 0.0 112.138 167.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.67 0.08 13.92 Favored 'General case' 0 CA--C 1.555 1.172 0 N-CA-C 118.032 2.604 . . . . 0.0 118.032 176.471 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.57 -49.2 19.31 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 124.46 3.3 . . . . 0.0 112.006 155.411 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -80.53 70.16 7.18 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-O 122.594 1.188 . . . . 0.0 111.33 -177.681 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.6 m-30 -55.49 -8.68 0.38 Allowed 'General case' 0 CA--C 1.552 1.038 0 N-CA-C 116.198 1.925 . . . . 0.0 116.198 173.569 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -61.36 -34.36 75.18 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 124.705 1.202 . . . . 0.0 112.586 160.034 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 11.1 m-30 -80.73 60.71 4.12 Favored 'General case' 0 CA--C 1.549 0.923 0 O-C-N 120.144 -1.598 . . . . 0.0 110.504 174.75 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.14 -50.09 67.75 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 115.443 1.646 . . . . 0.0 115.443 -166.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 47.8 mtm -66.44 -32.26 73.53 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 175.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 52.3 mt -83.87 -39.67 19.59 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.591 0.756 . . . . 0.0 112.171 -173.482 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.73 -29.42 67.83 Favored 'General case' 0 CA--C 1.546 0.803 0 O-C-N 121.021 -1.049 . . . . 0.0 112.2 164.367 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.7 tmtt? -63.07 -37.8 88.63 Favored 'General case' 0 CA--C 1.548 0.866 0 CA-C-N 121.818 2.099 . . . . 0.0 110.753 164.652 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 86.5 m -55.34 -40.96 71.86 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 122.694 2.497 . . . . 0.0 114.03 166.711 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -51.12 -55.99 14.96 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 118.74 0.7 . . . . 0.0 112.09 163.788 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 7.2 m-30 -73.53 -24.39 60.12 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 114.208 1.188 . . . . 0.0 114.208 -172.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.69 -54.33 47.4 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.489 1.516 . . . . 0.0 110.917 160.376 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.87 -37.83 95.54 Favored Glycine 0 CA--C 1.535 1.283 0 N-CA-C 115.32 0.888 . . . . 0.0 115.32 174.329 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.29 -38.26 86.16 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 118.449 1.125 . . . . 0.0 113.023 172.341 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 35.1 t80 -71.69 74.11 0.81 Allowed 'General case' 0 CA--C 1.555 1.157 0 CA-C-O 123.158 1.456 . . . . 0.0 112.158 168.296 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.407 ' NE ' HD21 ' A' ' 59' ' ' ASN . 8.5 mmm180 -76.14 83.08 2.97 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-O 123.054 1.407 . . . . 0.0 113.512 169.051 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.4 p-10 -86.02 -36.3 19.82 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 114.297 -1.32 . . . . 0.0 113.498 171.004 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -63.61 -16.55 61.2 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 118.197 2.666 . . . . 0.0 118.197 -171.195 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 63.06 -50.43 0.2 Allowed 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 116.485 2.032 . . . . 0.0 116.485 177.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -73.0 -118.52 0.0 OUTLIER 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 125.13 1.372 . . . . 0.0 113.848 178.766 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 21.7 p -107.07 124.66 49.98 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 117.949 -2.969 . . . . 0.0 113.38 -179.284 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 22.1 p -68.27 -21.36 64.8 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 174.275 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 54.8 mp0 -63.31 -36.47 83.79 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.819 1.248 . . . . 0.0 113.9 177.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -69.65 -46.29 66.48 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 119.964 1.256 . . . . 0.0 112.649 174.09 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.523 ' O ' HD12 ' A' ' 41' ' ' ILE . 64.6 ttt180 -54.38 -51.03 66.1 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 114.858 -1.064 . . . . 0.0 111.755 168.659 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -80.67 -2.84 48.33 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 116.786 2.143 . . . . 0.0 116.786 174.639 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.17 -26.93 63.19 Favored 'General case' 0 CA--C 1.545 0.769 0 O-C-N 119.357 -2.089 . . . . 0.0 113.113 151.749 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.44 -43.87 59.4 Favored 'General case' 0 CA--C 1.552 1.035 0 CA-C-N 120.189 1.358 . . . . 0.0 114.337 159.783 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.533 HD13 ' CE2' ' A' ' 51' ' ' PHE 0.291 3.3 mp -70.47 83.17 0.23 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.965 0 CA-C-O 126.94 3.257 . . . . 0.0 114.237 171.817 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 66.4 mmtt -102.74 27.98 6.51 Favored 'General case' 0 CA--C 1.547 0.855 1 CA-C-N 108.069 -4.15 . . . . 0.0 115.137 -178.717 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 47.7 mm -68.29 -35.31 70.52 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.912 0 O-C-N 120.68 -1.262 . . . . 0.0 112.765 -177.196 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -176.34 164.47 34.32 Favored Glycine 0 CA--C 1.547 2.053 0 CA-C-O 118.371 -1.238 . . . . 0.0 115.596 173.109 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.519 ' O ' ' HG2' ' A' ' 49' ' ' LYS . 70.0 Cg_exo -54.33 -47.91 24.34 Favored 'Trans proline' 0 C--N 1.359 1.128 0 C-N-CA 124.857 3.704 . . . . 0.0 115.708 174.071 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 15.5 mttm -62.24 -33.21 74.17 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.176 1.39 . . . . 0.0 113.826 172.293 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 27.3 t -63.37 -58.06 8.32 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.923 0.889 . . . . 0.0 111.263 172.442 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.419 ' O ' ' HB2' ' A' ' 52' ' ' LYS 0.288 0.0 OUTLIER -53.61 -34.35 23.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 N-CA-C 115.688 1.736 . . . . 0.0 115.688 172.557 . . . . . . . . 4 4 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.519 ' HG2' ' O ' ' A' ' 45' ' ' PRO . 33.3 mmtm -64.77 -54.05 37.39 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-N 120.039 1.291 . . . . 0.0 113.985 169.026 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -50.79 -50.41 56.23 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.831 1.252 . . . . 0.0 110.866 173.569 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.533 ' CE2' HD13 ' A' ' 41' ' ' ILE . 2.8 t80 -54.92 -54.72 38.97 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.045 1.338 . . . . 0.0 112.132 176.433 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.419 ' HB2' ' O ' ' A' ' 48' ' ' VAL . 0.0 OUTLIER -63.08 -44.1 96.67 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 -176.222 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -70.09 -45.46 66.92 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 113.178 0.807 . . . . 0.0 113.178 -178.739 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 2.0 m -59.14 -41.27 87.88 Favored 'General case' 0 CA--C 1.55 0.951 0 CA-C-O 117.234 -1.365 . . . . 0.0 113.855 166.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 20.3 t -55.81 -47.83 76.47 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 121.681 2.037 . . . . 0.0 113.941 171.579 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -66.91 -36.82 83.14 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 177.58 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 17.1 mm -67.4 -37.73 79.49 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 CA-C-N 120.561 1.528 . . . . 0.0 113.84 167.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.13 -43.62 82.55 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 169.817 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.407 HD21 ' NE ' ' A' ' 28' ' ' ARG . 64.3 m-80 -67.48 -33.94 76.14 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 114.77 1.396 . . . . 0.0 114.77 170.491 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -61.09 -43.24 99.18 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 119.974 1.261 . . . . 0.0 112.075 167.14 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 97.9 t -60.75 -43.55 95.46 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.824 0 C-N-CA 123.883 0.873 . . . . 0.0 112.793 171.207 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 45.6 mtt-85 -58.43 -35.91 72.82 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 169.023 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.4 -52.84 12.35 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 114.285 1.217 . . . . 0.0 114.285 172.626 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 . . . . . 0 CA--C 1.555 1.137 0 CA-C-O 124.077 1.894 . . . . 0.0 114.411 -177.192 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 73.5 mt . . . . . 0 N--CA 1.478 0.943 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -59.06 -37.76 77.8 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-O 117.378 -1.296 . . . . 0.0 113.524 177.035 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -67.52 -37.32 82.6 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 122.442 2.383 . . . . 0.0 114.37 172.616 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -86.43 -48.35 8.51 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 121.076 1.762 . . . . 0.0 113.794 174.261 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.11 4.37 2.78 Favored 'General case' 0 CA--C 1.554 1.104 0 N-CA-C 115.861 1.801 . . . . 0.0 115.861 167.435 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.84 -44.07 74.16 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 118.537 -2.602 . . . . 0.0 112.544 150.241 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 38.4 mttp -83.05 66.98 8.93 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-O 122.739 1.257 . . . . 0.0 110.936 -171.531 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -63.61 -13.54 43.14 Favored 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 114.482 1.289 . . . . 0.0 114.482 171.348 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.3 tmtt? -64.81 -40.46 95.26 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 124.726 1.21 . . . . 0.0 111.295 161.75 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -92.75 69.49 4.72 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-O 125.875 2.75 . . . . 0.0 110.617 174.063 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.5 -39.55 70.62 Favored 'General case' 0 CA--C 1.536 0.429 1 CA-C-N 107.8 -4.273 . . . . 0.0 114.174 -173.619 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 32.8 ttm -65.41 -36.51 84.18 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.377 1.071 . . . . 0.0 112.924 175.81 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 75.9 mt -82.76 -42.02 18.48 Favored 'General case' 0 C--O 1.24 0.604 0 O-C-N 121.183 -0.948 . . . . 0.0 112.524 -175.225 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.66 -29.32 69.87 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 119.052 -1.059 . . . . 0.0 112.851 164.001 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.9 tptp -63.87 -38.3 90.6 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 121.945 2.157 . . . . 0.0 111.292 166.495 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 99.4 m -52.84 -42.74 65.45 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 122.157 2.253 . . . . 0.0 113.491 166.361 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -51.05 -53.73 31.12 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 118.349 0.522 . . . . 0.0 112.181 163.672 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.289 6.5 m-30 -73.46 -25.9 60.69 Favored 'General case' 0 CA--C 1.554 1.114 0 N-CA-C 114.466 1.284 . . . . 0.0 114.466 -173.073 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -59.25 -41.95 89.96 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.005 1.322 . . . . 0.0 112.599 161.47 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.22 -40.55 92.33 Favored Glycine 0 CA--C 1.537 1.431 0 CA-C-O 118.952 -0.915 . . . . 0.0 114.622 167.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.92 -42.33 98.96 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 119.329 1.565 . . . . 0.0 114.104 178.47 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . 0.319 1.4 p90 -95.08 60.96 2.41 Favored 'General case' 0 CA--C 1.55 0.973 0 CA-C-N 121.58 1.991 . . . . 0.0 114.19 167.452 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.28 102.54 5.01 Favored 'General case' 0 CA--C 1.547 0.853 0 O-C-N 121.458 -0.776 . . . . 0.0 110.439 178.851 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -146.98 19.41 1.26 Allowed 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 114.972 1.471 . . . . 0.0 114.972 -177.367 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 16.9 p-10 -75.67 59.41 1.17 Allowed 'General case' 0 CA--C 1.555 1.135 0 N-CA-C 115.323 1.601 . . . . 0.0 115.323 -171.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 66.31 -53.91 0.41 Allowed 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 127.102 2.161 . . . . 0.0 115.68 172.158 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 60.2 mt-10 -73.04 174.09 8.39 Favored 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 124.242 1.017 . . . . 0.0 113.691 174.358 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.1 t -93.96 161.37 14.32 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 119.604 -1.935 . . . . 0.0 114.54 -168.485 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 94.0 m -59.77 -39.61 85.44 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 113.622 -1.626 . . . . 0.0 114.128 -171.639 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -65.5 -26.28 67.85 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 113.534 0.938 . . . . 0.0 113.534 -174.283 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -65.98 -55.6 15.94 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-O 123.437 1.589 . . . . 0.0 111.355 175.142 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.616 ' O ' HD12 ' A' ' 41' ' ' ILE . 9.2 mpt_? -63.89 -47.1 81.98 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 112.653 -2.067 . . . . 0.0 110.039 177.74 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -81.63 -0.13 41.08 Favored 'General case' 0 CA--C 1.551 1.012 0 N-CA-C 116.585 2.068 . . . . 0.0 116.585 175.516 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.58 -32.09 67.67 Favored 'General case' 0 CA--C 1.54 0.596 0 O-C-N 119.263 -2.148 . . . . 0.0 112.53 150.329 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 41.2 mmt180 -71.29 -44.14 65.79 Favored 'General case' 0 CA--C 1.552 1.037 0 N-CA-C 113.673 0.99 . . . . 0.0 113.673 165.003 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.616 HD12 ' O ' ' A' ' 37' ' ' ARG 0.293 3.2 mp -73.59 83.07 0.46 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.92 0 CA-C-O 126.587 3.089 . . . . 0.0 113.801 172.68 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 47.4 mttp -100.85 21.06 14.21 Favored 'General case' 0 CA--C 1.548 0.897 1 CA-C-N 108.191 -4.095 . . . . 0.0 115.655 -179.129 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 78.4 mt -65.04 -37.09 79.36 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.937 0 O-C-N 120.49 -1.381 . . . . 0.0 113.441 -172.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -175.96 163.83 33.57 Favored Glycine 0 CA--C 1.546 1.992 0 CA-C-O 117.887 -1.507 . . . . 0.0 115.411 173.487 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_exo -53.36 -48.47 21.8 Favored 'Trans proline' 0 C--N 1.36 1.157 0 C-N-CA 125.028 3.819 . . . . 0.0 115.76 175.189 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 22.8 mttm -64.98 -28.8 69.76 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 113.981 1.104 . . . . 0.0 113.981 173.227 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 38.7 t -66.55 -58.58 4.91 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 117.462 -1.256 . . . . 0.0 111.243 171.448 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -52.56 -39.34 29.27 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 N-CA-C 115.292 1.59 . . . . 0.0 115.292 171.097 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.3 ttmt -56.6 -56.48 20.83 Favored 'General case' 0 CA--C 1.55 0.976 0 CA-C-N 120.278 1.399 . . . . 0.0 113.539 170.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.78 -51.16 64.33 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.294 1.038 . . . . 0.0 111.173 173.333 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.567 ' CE2' HD13 ' A' ' 41' ' ' ILE . 2.9 t80 -55.35 -58.77 6.36 Favored 'General case' 0 C--N 1.347 0.495 0 C-N-CA 124.682 1.193 . . . . 0.0 111.684 177.8 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.413 ' O ' ' HD1' ' A' ' 56' ' ' TYR . 24.6 mtpp -61.77 -39.27 91.06 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 117.369 -1.301 . . . . 0.0 113.845 -177.678 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -68.24 -48.55 64.8 Favored 'General case' 0 C--O 1.244 0.773 0 CA-C-N 121.604 2.002 . . . . 0.0 114.047 176.023 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.2 m -59.59 -41.76 90.99 Favored 'General case' 0 CA--C 1.551 0.996 0 N-CA-C 113.682 0.993 . . . . 0.0 113.682 171.108 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 7.9 t -65.07 -41.86 94.67 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 119.826 1.194 . . . . 0.0 113.355 176.593 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.413 ' HD1' ' O ' ' A' ' 52' ' ' LYS . 35.6 m-85 -64.84 -36.4 84.22 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-O 117.329 -1.319 . . . . 0.0 113.104 172.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 21.9 mm -60.89 -45.55 98.01 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 CA-C-N 121.083 1.765 . . . . 0.0 113.135 166.615 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.56 -44.92 81.41 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 113.636 0.976 . . . . 0.0 113.636 172.489 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -65.05 -38.15 89.9 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 123.858 0.863 . . . . 0.0 112.986 172.018 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -64.33 -41.03 97.0 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 120.537 1.517 . . . . 0.0 113.315 170.222 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 90.5 t -62.04 -40.67 88.23 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.819 0 CA-C-N 119.651 1.114 . . . . 0.0 112.427 170.223 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 13.3 tpt180 -61.69 -42.43 98.93 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-N 119.204 0.911 . . . . 0.0 113.314 169.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.7 -54.21 14.88 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 114.383 1.253 . . . . 0.0 114.383 173.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 . . . . . 0 CA--C 1.549 0.937 0 CA-C-N 120.523 1.51 . . . . 0.0 113.404 -174.983 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.3 mp . . . . . 0 N--CA 1.483 1.177 0 CA-C-O 118.937 -0.554 . . . . 0.0 109.521 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.26 -32.2 70.94 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-O 116.458 -1.735 . . . . 0.0 114.299 175.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 72.9 mt-10 -66.41 -59.07 4.02 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 123.755 2.98 . . . . 0.0 114.051 167.518 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -67.67 -45.19 75.95 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 120.092 1.314 . . . . 0.0 113.041 -176.51 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.55 -1.58 22.05 Favored 'General case' 0 CA--C 1.558 1.28 0 N-CA-C 116.7 2.111 . . . . 0.0 116.7 164.65 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.52 -42.46 35.48 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 125.343 3.701 . . . . 0.0 112.682 151.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 52.0 mtpt -68.27 54.38 0.07 Allowed 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 125.143 1.377 . . . . 0.0 113.867 178.232 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -57.56 -26.93 62.16 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 115.729 1.751 . . . . 0.0 115.729 -178.824 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.38 -30.94 68.78 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.938 1.295 . . . . 0.0 113.6 166.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -89.96 71.59 7.49 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-O 125.082 2.372 . . . . 0.0 109.766 173.048 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.429 ' O ' ' HB2' ' A' ' 20' ' ' LYS . . . -55.69 -44.7 77.6 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 108.868 -3.787 . . . . 0.0 114.528 -168.304 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 31.7 ttm -65.89 -34.78 78.92 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.081 0.952 . . . . 0.0 112.641 177.018 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 73.8 mt -82.07 -42.99 18.47 Favored 'General case' 0 C--O 1.238 0.493 0 O-C-N 121.252 -0.905 . . . . 0.0 112.687 -174.461 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.79 -30.4 71.04 Favored 'General case' 0 CA--C 1.55 0.952 0 O-C-N 121.272 -0.892 . . . . 0.0 112.559 164.511 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.429 ' HB2' ' O ' ' A' ' 16' ' ' ALA . 3.2 tmtt? -64.29 -38.56 91.49 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-N 121.868 2.122 . . . . 0.0 110.329 167.52 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 94.2 m -54.52 -42.04 70.39 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 122.489 2.404 . . . . 0.0 113.787 167.256 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -50.34 -53.46 28.72 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 118.651 0.66 . . . . 0.0 112.064 163.417 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.276 7.2 m-30 -73.68 -26.2 60.62 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 -173.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -56.88 -47.67 79.92 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.189 0.996 . . . . 0.0 112.17 159.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.52 -44.02 85.58 Favored Glycine 0 CA--C 1.535 1.3 0 C-N-CA 123.825 0.726 . . . . 0.0 114.427 169.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.28 -50.03 71.72 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 114.44 1.274 . . . . 0.0 114.44 175.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . 0.402 2.9 p90 -81.14 83.92 6.67 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-N 122.371 2.35 . . . . 0.0 114.006 172.504 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -92.52 38.59 1.02 Allowed 'General case' 0 CA--C 1.555 1.164 0 CA-C-N 112.424 -2.171 . . . . 0.0 113.749 177.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 20.3 m120 -63.36 -24.23 67.76 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 115.554 1.687 . . . . 0.0 115.554 -175.069 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -64.46 -29.52 70.57 Favored 'General case' 0 CA--C 1.549 0.925 0 N-CA-C 115.057 1.502 . . . . 0.0 115.057 169.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . 0.275 28.2 m-20 53.94 35.41 21.83 Favored 'General case' 0 CA--C 1.55 0.948 0 N-CA-C 117.285 2.328 . . . . 0.0 117.285 -170.862 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -77.64 173.56 11.9 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-O 122.554 1.169 . . . . 0.0 113.134 163.28 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.8 p -71.45 131.51 43.43 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 120.783 -1.198 . . . . 0.0 112.012 169.127 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 98.4 m -56.36 -49.1 75.38 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.954 1.302 . . . . 0.0 114.243 -170.32 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -76.01 -15.67 60.1 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 114.375 1.25 . . . . 0.0 114.375 -179.303 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -86.33 -41.77 14.25 Favored 'General case' 0 C--O 1.242 0.689 0 CA-C-N 121.183 1.81 . . . . 0.0 111.958 171.292 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.588 ' O ' HD12 ' A' ' 41' ' ' ILE 0.266 15.5 ptt180 -66.15 -37.97 86.97 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-O 118.37 -0.824 . . . . 0.0 111.305 167.775 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . 0.25 . . -89.29 9.4 26.12 Favored 'General case' 0 CA--C 1.551 1.005 0 N-CA-C 116.864 2.172 . . . . 0.0 116.864 169.084 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.28 -39.53 71.48 Favored 'General case' 0 CA--C 1.542 0.65 0 O-C-N 118.917 -2.364 . . . . 0.0 111.956 144.012 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 75.4 mtm180 -68.75 -42.27 77.75 Favored 'General case' 0 CA--C 1.551 1.008 0 N-CA-C 114.061 1.134 . . . . 0.0 114.061 168.758 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.588 HD12 ' O ' ' A' ' 37' ' ' ARG 0.251 3.4 mp -74.19 81.2 0.48 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.902 0 CA-C-O 127.121 3.343 . . . . 0.0 112.485 162.054 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 62.3 pttt -98.07 16.29 21.6 Favored 'General case' 0 CA--C 1.548 0.871 1 CA-C-N 107.529 -4.396 . . . . 0.0 115.319 -173.707 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 82.3 mt -65.3 -43.01 95.17 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.846 0 N-CA-C 113.938 1.088 . . . . 0.0 113.938 -168.406 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -176.27 166.79 38.05 Favored Glycine 0 CA--C 1.542 1.78 0 CA-C-O 118.202 -1.332 . . . . 0.0 115.935 176.185 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -61.29 -44.48 23.13 Favored 'Trans proline' 0 C--N 1.359 1.108 0 C-N-CA 124.544 3.496 . . . . 0.0 115.915 -175.758 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -64.1 -32.82 74.53 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.732 0.813 . . . . 0.0 112.688 171.662 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 36.0 t -64.55 -59.86 3.81 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-O 117.136 -1.412 . . . . 0.0 111.276 174.149 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -49.89 -41.53 17.54 Favored 'Isoleucine or valine' 0 C--N 1.351 0.656 0 CA-C-N 120.6 1.545 . . . . 0.0 114.876 170.141 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.3 mmtt -64.05 -49.9 70.51 Favored 'General case' 0 CA--C 1.552 1.039 0 N-CA-C 115.445 1.646 . . . . 0.0 115.445 174.098 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.12 -50.03 65.31 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 124.332 1.053 . . . . 0.0 110.445 168.801 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.553 ' CE2' HD13 ' A' ' 41' ' ' ILE . 3.5 t80 -55.35 -59.19 5.15 Favored 'General case' 0 C--N 1.348 0.51 0 C-N-CA 124.99 1.316 . . . . 0.0 112.235 177.03 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 18.4 mmmt -59.94 -42.38 93.88 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 114.079 1.14 . . . . 0.0 114.079 -178.242 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . 0.25 13.9 m-20 -72.15 -41.73 66.76 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 121.229 1.831 . . . . 0.0 114.118 177.522 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.7 m -60.05 -35.52 75.3 Favored 'General case' 0 CA--C 1.551 0.982 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 166.23 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.6 t -66.05 -36.73 84.03 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 119.899 1.227 . . . . 0.0 113.178 173.323 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 43.6 m-85 -61.71 -40.23 94.32 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 120.225 1.375 . . . . 0.0 113.651 165.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 21.5 mm -60.79 -42.91 94.09 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 CA-C-N 119.773 1.17 . . . . 0.0 112.867 169.291 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.03 -43.2 86.62 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 113.958 1.096 . . . . 0.0 113.958 172.125 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -60.43 -43.35 96.88 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 119.672 1.124 . . . . 0.0 113.517 169.702 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -60.03 -39.84 87.28 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 123.737 0.815 . . . . 0.0 112.89 173.291 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 97.4 t -65.87 -55.73 18.09 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.748 0 CA-C-O 118.661 -0.685 . . . . 0.0 112.434 167.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -65.75 -12.34 53.06 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 116.105 1.891 . . . . 0.0 116.105 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.34 -26.81 68.64 Favored 'General case' 0 CA--C 1.547 0.845 0 O-C-N 120.835 -1.165 . . . . 0.0 114.133 160.578 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? . . . . . 0 CA--C 1.547 0.855 0 N-CA-C 115.099 1.518 . . . . 0.0 115.099 178.736 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 28.1 mt . . . . . 0 N--CA 1.481 1.091 0 CA-C-O 118.804 -0.617 . . . . 0.0 110.137 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -58.8 -46.36 87.76 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-O 117.138 -1.411 . . . . 0.0 112.752 174.217 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -63.3 -41.32 98.94 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 123.398 2.817 . . . . 0.0 114.333 171.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.573 ' O ' ' HE1' ' A' ' 13' ' ' TYR . 65.3 mm-40 -77.35 -41.81 38.97 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 114.716 1.376 . . . . 0.0 114.716 178.55 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -103.63 43.27 1.1 Allowed 'General case' 0 CA--C 1.551 1.015 0 N-CA-C 118.68 2.844 . . . . 0.0 118.68 163.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.8 28.6 0.0 OUTLIER 'General case' 0 CA--C 1.557 1.245 0 O-C-N 118.17 -2.831 . . . . 0.0 118.58 167.364 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 59.2 mtpt 44.03 46.89 7.2 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 127.329 2.252 . . . . 0.0 114.388 -172.331 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.573 ' HE1' ' O ' ' A' ' 9' ' ' GLU . 1.0 OUTLIER -123.58 -150.7 0.46 Allowed 'General case' 0 CA--C 1.55 0.975 0 CA-C-N 115.227 -0.897 . . . . 0.0 111.629 -160.474 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -71.64 -45.18 62.81 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.951 1.7 . . . . 0.0 115.178 -166.11 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -80.03 78.7 6.64 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-O 123.8 1.762 . . . . 0.0 114.025 -172.453 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.16 -54.93 32.98 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 111.335 -2.666 . . . . 0.0 116.183 -177.529 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 65.0 mtp -66.17 -28.97 69.18 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 113.396 0.888 . . . . 0.0 113.396 -179.534 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -78.13 -50.0 12.82 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.844 1.258 . . . . 0.0 112.698 -179.216 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 25.5 pttm -61.94 -28.94 69.9 Favored 'General case' 0 CA--C 1.547 0.86 0 O-C-N 120.942 -1.099 . . . . 0.0 113.793 164.501 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -66.25 -36.24 82.5 Favored 'General case' 0 CA--C 1.553 1.091 0 CA-C-N 120.911 1.687 . . . . 0.0 111.233 166.412 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.8 m -57.08 -39.39 74.87 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-N 123.408 2.822 . . . . 0.0 114.326 164.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -50.65 -52.79 36.5 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-N 119.229 0.922 . . . . 0.0 111.421 163.463 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.284 7.0 m-30 -74.63 -21.67 59.32 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 114.423 1.268 . . . . 0.0 114.423 -174.715 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -58.16 -49.04 78.41 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.584 0.754 . . . . 0.0 112.857 156.559 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.28 -40.6 98.82 Favored Glycine 0 CA--C 1.532 1.146 0 N-CA-C 115.2 0.84 . . . . 0.0 115.2 173.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.66 -42.46 95.37 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 113.199 0.814 . . . . 0.0 113.199 172.717 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -74.75 73.94 2.07 Favored 'General case' 0 CA--C 1.554 1.107 0 CA-C-O 123.215 1.483 . . . . 0.0 112.429 173.735 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 73.4 ttt180 -95.14 115.35 27.32 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.692 169.525 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -134.13 -106.81 0.23 Allowed 'General case' 0 CA--C 1.553 1.077 0 CA-C-O 117.796 -1.097 . . . . 0.0 112.909 -165.325 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -63.7 -24.0 67.6 Favored 'General case' 0 CA--C 1.55 0.947 0 CA-C-N 122.448 2.385 . . . . 0.0 113.299 174.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -68.44 125.54 26.79 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-O 122.661 1.219 . . . . 0.0 112.815 174.1 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -65.65 -59.85 3.51 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 114.369 -1.287 . . . . 0.0 113.914 176.179 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 92.8 m -123.77 112.3 17.16 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 118.751 0.705 . . . . 0.0 111.795 -174.519 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 12.1 p -63.2 -27.41 69.34 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 116.364 1.986 . . . . 0.0 116.364 -177.154 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -70.11 -29.8 66.85 Favored 'General case' 0 CA--C 1.55 0.977 0 CA-C-N 119.792 1.178 . . . . 0.0 114.072 174.154 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -69.81 -47.23 63.57 Favored 'General case' 0 CA--C 1.548 0.872 0 O-C-N 119.998 -1.689 . . . . 0.0 111.041 172.477 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.539 ' O ' HD12 ' A' ' 41' ' ' ILE . 67.7 ttt180 -52.36 -48.65 65.42 Favored 'General case' 0 CA--C 1.547 0.863 0 CA-C-N 113.333 -1.758 . . . . 0.0 112.277 167.182 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -87.98 7.72 29.77 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 117.344 2.35 . . . . 0.0 117.344 172.537 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.04 -47.65 79.37 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 119.188 -2.195 . . . . 0.0 110.375 143.203 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 84.7 mtt-85 -66.66 -47.45 72.48 Favored 'General case' 0 CA--C 1.554 1.133 0 N-CA-C 114.594 1.331 . . . . 0.0 114.594 174.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.539 HD12 ' O ' ' A' ' 37' ' ' ARG . 3.3 mp -67.04 90.23 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 CA-C-O 126.426 3.012 . . . . 0.0 112.663 168.574 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.18 46.08 2.05 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-N 109.171 -3.649 . . . . 0.0 112.496 176.026 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 89.6 mt -68.97 -40.96 81.6 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.813 0 O-C-N 121.373 -0.829 . . . . 0.0 111.927 177.229 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -169.16 158.1 30.43 Favored Glycine 0 CA--C 1.544 1.882 0 CA-C-O 117.465 -1.742 . . . . 0.0 114.117 174.502 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -51.63 -44.72 42.44 Favored 'Trans proline' 0 C--N 1.359 1.103 0 C-N-CA 125.013 3.809 . . . . 0.0 115.747 176.124 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 51.2 tttm -65.88 -32.91 74.68 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 124.464 1.106 . . . . 0.0 112.235 175.712 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -68.02 -55.67 11.76 Favored 'General case' 0 C--N 1.348 0.54 0 C-N-CA 124.347 1.059 . . . . 0.0 111.061 174.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -54.22 -39.72 44.14 Favored 'Isoleucine or valine' 0 C--N 1.351 0.669 0 N-CA-C 114.901 1.445 . . . . 0.0 114.901 171.132 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.0 tttt -56.37 -58.85 6.23 Favored 'General case' 0 CA--C 1.549 0.942 0 CA-C-N 119.564 1.075 . . . . 0.0 112.967 171.349 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.05 -50.13 59.22 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.579 1.152 . . . . 0.0 111.664 173.538 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.532 ' CE2' HD13 ' A' ' 41' ' ' ILE . 1.9 t80 -55.01 -55.79 26.96 Favored 'General case' 0 C--N 1.349 0.577 0 CA-C-O 117.521 -1.228 . . . . 0.0 111.596 176.186 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.6 mmmt -59.95 -41.5 92.02 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 120.06 1.3 . . . . 0.0 113.858 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -62.47 -50.12 72.69 Favored 'General case' 0 CA--C 1.55 0.971 0 CA-C-N 120.879 1.672 . . . . 0.0 112.972 177.027 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 17.5 m -63.12 -37.82 88.73 Favored 'General case' 0 CA--C 1.555 1.141 0 N-CA-C 114.634 1.346 . . . . 0.0 114.634 170.783 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.7 t -60.11 -40.65 90.42 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 120.769 1.622 . . . . 0.0 113.198 169.062 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -62.61 -40.54 97.29 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-O 115.835 -2.031 . . . . 0.0 113.882 169.222 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.435 1.9 pp -69.79 -31.92 50.14 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 CA-C-N 124.377 3.262 . . . . 0.0 114.663 169.349 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.02 -40.42 93.51 Favored 'General case' 0 CA--C 1.547 0.847 0 CA-C-N 120.319 1.418 . . . . 0.0 112.806 169.667 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -63.29 -41.61 99.0 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 112.948 0.721 . . . . 0.0 112.948 170.497 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 30.3 mm100 -62.52 -40.1 95.67 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-O 118.113 -0.946 . . . . 0.0 113.376 170.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 94.3 t -60.04 -45.11 95.92 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.808 0 CA-C-N 120.289 1.404 . . . . 0.0 112.437 170.293 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -64.15 -35.83 82.07 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 114.911 1.449 . . . . 0.0 114.911 171.482 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.81 -53.26 10.66 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 120.231 1.378 . . . . 0.0 114.161 171.648 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 . . . . . 0 CA--C 1.548 0.887 0 CA-C-O 123.348 1.547 . . . . 0.0 113.094 -175.161 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 72.2 mt . . . . . 0 N--CA 1.477 0.875 0 CA-C-O 117.477 -1.249 . . . . 0.0 109.722 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -73.26 -10.81 60.16 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 121.403 1.91 . . . . 0.0 115.73 176.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -68.76 -40.99 79.46 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 125.718 3.872 . . . . 0.0 111.711 160.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -86.14 -31.23 21.94 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 114.635 1.346 . . . . 0.0 114.635 178.807 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -99.04 28.51 4.36 Favored 'General case' 0 CA--C 1.558 1.268 0 N-CA-C 119.399 3.111 . . . . 0.0 119.399 158.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.94 56.22 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.25 0 O-C-N 117.309 -3.369 . . . . 0.0 117.287 164.84 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . 0.272 0.8 OUTLIER 65.63 -50.05 0.38 Allowed 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 128.308 2.643 . . . . 0.0 114.074 177.232 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 64.17 130.29 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 120.374 3.472 . . . . 0.0 120.374 167.11 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm -66.99 -43.43 82.96 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 109.959 -3.291 . . . . 0.0 111.567 150.018 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -82.52 68.54 9.01 Favored 'General case' 0 CA--C 1.554 1.099 0 CA-C-O 125.542 2.591 . . . . 0.0 112.273 177.391 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.57 -36.36 80.43 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 109.724 -3.398 . . . . 0.0 114.758 -177.407 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 62.5 mtp -65.37 -31.62 72.82 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.9 0.88 . . . . 0.0 112.984 174.246 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -78.44 -46.66 19.24 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.375 1.07 . . . . 0.0 112.394 176.807 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -50.29 -40.79 49.44 Favored 'General case' 0 CA--C 1.561 1.373 0 N-CA-C 115.126 1.528 . . . . 0.0 115.126 157.153 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.6 tptp -63.2 -35.7 81.19 Favored 'General case' 0 CA--C 1.551 0.986 0 O-C-N 118.555 -2.591 . . . . 0.0 112.686 169.013 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -56.14 -41.36 75.26 Favored 'General case' 0 CA--C 1.553 1.087 0 CA-C-N 121.322 1.873 . . . . 0.0 112.02 167.098 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -48.79 -54.26 15.83 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 124.12 0.968 . . . . 0.0 111.657 163.434 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.256 9.1 m-30 -71.74 -31.64 66.88 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 114.888 1.44 . . . . 0.0 114.888 -173.488 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -62.08 -33.04 73.68 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 113.331 0.863 . . . . 0.0 113.331 164.387 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -74.9 -40.39 36.12 Favored Glycine 0 CA--C 1.535 1.313 0 CA-C-N 118.943 0.792 . . . . 0.0 114.682 168.681 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.12 -35.5 73.56 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.355 1.062 . . . . 0.0 113.658 176.276 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -70.74 72.3 0.53 Allowed 'General case' 0 CA--C 1.554 1.134 0 O-C-N 121.219 -0.926 . . . . 0.0 112.656 163.753 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -65.12 112.51 3.42 Favored 'General case' 0 CA--C 1.55 0.946 0 CA-C-O 122.706 1.241 . . . . 0.0 113.191 177.792 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -69.15 142.57 54.33 Favored 'General case' 0 CA--C 1.551 1.008 0 CA-C-N 113.702 -1.59 . . . . 0.0 114.263 176.402 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -69.51 61.23 0.15 Allowed 'General case' 0 CA--C 1.549 0.92 0 CA-C-O 123.625 1.679 . . . . 0.0 115.381 -179.19 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -104.67 -172.51 2.11 Favored 'General case' 0 CA--C 1.554 1.133 0 CA-C-N 113.692 -1.595 . . . . 0.0 110.612 168.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -65.19 -62.96 1.23 Allowed 'General case' 0 CA--C 1.545 0.786 0 O-C-N 120.623 -1.298 . . . . 0.0 110.547 172.553 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.2 t -144.24 138.09 27.76 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-O 122.074 0.94 . . . . 0.0 111.789 170.061 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.5 p -66.21 -27.83 68.28 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 115.166 -0.924 . . . . 0.0 113.306 172.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -69.73 -23.48 63.4 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 114.869 1.433 . . . . 0.0 114.869 -175.508 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -66.4 -53.31 37.28 Favored 'General case' 0 CA--C 1.546 0.827 0 CA-C-N 119.505 1.048 . . . . 0.0 111.656 169.371 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.495 ' O ' HG13 ' A' ' 41' ' ' ILE . 57.0 mtp180 -59.6 -46.95 87.44 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 114.742 -1.117 . . . . 0.0 111.981 172.041 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -77.9 -5.85 52.38 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 117.396 2.369 . . . . 0.0 117.396 173.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.39 -46.94 78.07 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 119.698 -1.876 . . . . 0.0 111.55 151.564 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.3 mtp180 -73.98 -21.99 59.79 Favored 'General case' 0 CA--C 1.552 1.04 0 N-CA-C 115.878 1.807 . . . . 0.0 115.878 174.614 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.495 HG13 ' O ' ' A' ' 37' ' ' ARG . 52.6 mt -67.53 95.03 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 CA-C-O 125.208 2.433 . . . . 0.0 109.93 166.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.15 27.52 9.58 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 110.298 -3.137 . . . . 0.0 115.202 179.493 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 47.7 pt -68.91 -30.64 47.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 N-CA-C 115.217 1.562 . . . . 0.0 115.217 -175.081 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -171.42 137.63 4.46 Favored Glycine 0 CA--C 1.543 1.836 0 CA-C-O 116.56 -2.245 . . . . 0.0 113.03 175.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -62.45 -44.69 17.21 Favored 'Trans proline' 0 CA--C 1.545 1.063 0 CA-C-N 123.688 3.744 . . . . 0.0 116.674 -171.281 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.5 tmtt? -69.69 -30.06 67.62 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 119.064 0.847 . . . . 0.0 111.182 173.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -65.58 -58.42 5.82 Favored 'General case' 0 C--N 1.35 0.594 0 CA-C-O 116.084 -1.912 . . . . 0.0 108.893 175.17 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . 0.269 0.1 OUTLIER -54.85 -36.2 36.56 Favored 'Isoleucine or valine' 0 C--N 1.352 0.689 0 CA-C-N 122.377 2.353 . . . . 0.0 115.866 169.437 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 51.3 tttm -56.27 -55.24 35.73 Favored 'General case' 0 CA--C 1.551 1.0 0 CA-C-N 122.238 2.29 . . . . 0.0 112.454 170.756 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.64 -54.59 45.35 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.906 0.882 . . . . 0.0 112.83 172.718 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.404 ' HE2' HD12 ' A' ' 41' ' ' ILE . 81.6 t80 -58.98 -57.28 13.76 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 125.055 1.342 . . . . 0.0 114.053 179.533 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.3 ttpp -71.52 -28.69 64.06 Favored 'General case' 0 CA--C 1.552 1.02 0 CA-C-N 118.63 0.65 . . . . 0.0 111.113 -175.06 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.407 ' O ' HG12 ' A' ' 57' ' ' ILE . 89.1 m-20 -74.24 -46.09 43.86 Favored 'General case' 0 C--N 1.359 0.998 0 CA-C-N 121.031 1.741 . . . . 0.0 113.163 173.36 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.2 m -56.76 -43.23 80.57 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 120.089 1.313 . . . . 0.0 113.106 167.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -58.4 -45.84 87.6 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 120.133 1.333 . . . . 0.0 113.452 171.788 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -57.96 -46.63 84.82 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 120.036 1.289 . . . . 0.0 113.008 171.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.407 HG12 ' O ' ' A' ' 53' ' ' ASP . 5.0 mm -65.72 -40.73 88.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 CA-C-N 120.173 1.351 . . . . 0.0 112.319 177.13 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.0 -44.29 94.64 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 171.224 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -63.89 -41.21 97.78 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 123.662 0.785 . . . . 0.0 112.766 171.116 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -57.89 -46.56 84.73 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.454 1.102 . . . . 0.0 112.539 170.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 84.5 t -62.53 -49.17 84.92 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.703 0 CA-C-O 117.84 -1.076 . . . . 0.0 112.562 171.006 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 63.9 mtp180 -66.6 -23.62 66.21 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 121.229 1.831 . . . . 0.0 115.731 176.214 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.49 -36.66 65.82 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 120.687 1.585 . . . . 0.0 113.571 164.812 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 . . . . . 0 CA--C 1.546 0.818 0 C-N-CA 124.1 0.96 . . . . 0.0 113.407 175.431 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 15.7 mt . . . . . 0 N--CA 1.482 1.145 0 CA-C-O 118.99 -0.528 . . . . 0.0 109.626 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -56.23 -51.48 67.94 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.026 0.931 . . . . 0.0 112.83 174.148 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -66.71 -29.17 69.1 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 121.744 2.065 . . . . 0.0 114.814 178.182 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -93.44 -28.99 15.8 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 120.624 1.556 . . . . 0.0 115.016 174.198 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -107.07 33.1 4.14 Favored 'General case' 0 CA--C 1.557 1.231 0 N-CA-C 119.272 3.064 . . . . 0.0 119.272 162.207 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -49.45 -58.69 4.7 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 118.136 2.643 . . . . 0.0 118.136 177.76 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -155.6 -58.99 0.1 Allowed 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.518 1.127 . . . . 0.0 108.804 174.668 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 70.62 123.1 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 120.902 3.667 . . . . 0.0 120.902 167.645 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.79 -47.7 77.15 Favored 'General case' 0 CA--C 1.55 0.96 0 CA-C-N 110.036 -3.256 . . . . 0.0 109.877 149.826 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -82.81 68.01 9.11 Favored 'General case' 0 CA--C 1.551 1.009 0 CA-C-O 126.818 3.199 . . . . 0.0 113.662 176.01 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.45 -29.21 67.63 Favored 'General case' 0 CA--C 1.537 0.456 1 CA-C-N 107.471 -4.422 . . . . 0.0 113.005 176.49 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 47.8 mtm -64.99 -32.64 74.46 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.791 1.236 . . . . 0.0 113.562 171.331 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 73.4 mt -85.01 -40.56 16.73 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 121.167 -0.958 . . . . 0.0 111.585 -179.511 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 73.6 tttt -55.44 -42.1 73.76 Favored 'General case' 0 CA--C 1.557 1.244 0 N-CA-C 114.502 1.297 . . . . 0.0 114.502 157.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.2 ttpp -69.25 -21.2 63.92 Favored 'General case' 0 CA--C 1.552 1.046 0 O-C-N 119.034 -2.291 . . . . 0.0 112.691 170.518 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.2 t -65.58 -37.33 86.36 Favored 'General case' 0 CA--C 1.551 1.001 0 O-C-N 120.079 -1.638 . . . . 0.0 112.666 163.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -51.63 -54.4 28.25 Favored 'General case' 0 N--CA 1.485 1.307 0 CA-C-N 119.385 0.993 . . . . 0.0 111.009 159.542 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.295 4.8 m-30 -73.56 -19.57 60.86 Favored 'General case' 0 CA--C 1.554 1.104 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 -174.131 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.52 -48.83 80.14 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.663 1.585 . . . . 0.0 111.997 157.705 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.71 -41.03 95.61 Favored Glycine 0 CA--C 1.532 1.132 0 N-CA-C 115.418 0.927 . . . . 0.0 115.418 171.448 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.94 -43.51 87.83 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 113.741 1.015 . . . . 0.0 113.741 173.383 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -74.63 67.51 1.55 Allowed 'General case' 0 CA--C 1.556 1.201 0 CA-C-O 123.298 1.523 . . . . 0.0 112.844 177.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 70.1 ttt180 -79.0 63.07 3.59 Favored 'General case' 0 CA--C 1.553 1.093 0 CA-C-O 124.303 2.002 . . . . 0.0 112.704 175.39 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -120.42 -33.24 3.91 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 113.414 -1.721 . . . . 0.0 113.356 178.015 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -66.24 -35.54 80.69 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 114.007 1.114 . . . . 0.0 114.007 179.101 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -142.04 145.8 34.78 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.541 1.136 . . . . 0.0 109.478 178.494 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -65.77 -32.01 73.31 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 178.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 18.1 p -118.64 101.28 8.0 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 120.22 1.373 . . . . 0.0 112.548 -177.318 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.6 p -63.18 -32.7 74.16 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 115.87 1.804 . . . . 0.0 115.87 -175.039 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -67.16 -39.09 86.45 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 124.043 0.937 . . . . 0.0 113.422 174.211 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -72.77 -42.74 63.65 Favored 'General case' 0 CA--C 1.547 0.836 0 O-C-N 121.04 -1.037 . . . . 0.0 110.526 176.66 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.614 ' O ' HD12 ' A' ' 41' ' ' ILE . 64.5 ttt180 -51.92 -47.41 64.68 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 115.052 -0.976 . . . . 0.0 112.121 165.443 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -83.46 -1.22 53.07 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 117.72 2.489 . . . . 0.0 117.72 172.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.94 -32.88 74.43 Favored 'General case' 0 CA--C 1.548 0.894 0 O-C-N 119.828 -1.795 . . . . 0.0 112.086 148.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 28.5 mtt180 -73.87 -47.19 39.95 Favored 'General case' 0 CA--C 1.555 1.158 0 O-C-N 121.158 -0.964 . . . . 0.0 113.243 168.551 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.614 HD12 ' O ' ' A' ' 37' ' ' ARG 0.278 3.3 mp -67.92 86.38 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.878 0 CA-C-O 126.855 3.217 . . . . 0.0 114.257 171.27 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -100.01 13.41 34.09 Favored 'General case' 0 CA--C 1.548 0.897 1 CA-C-N 107.742 -4.299 . . . . 0.0 115.138 179.185 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 91.5 mt -63.08 -38.89 83.26 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.937 0 N-CA-C 114.428 1.27 . . . . 0.0 114.428 -167.431 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -167.88 159.86 33.25 Favored Glycine 0 CA--C 1.544 1.903 0 CA-C-O 117.934 -1.481 . . . . 0.0 115.002 175.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_exo -53.54 -50.72 12.87 Favored 'Trans proline' 0 C--N 1.36 1.162 0 C-N-CA 124.827 3.685 . . . . 0.0 115.419 174.276 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -61.34 -32.55 72.43 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 113.436 0.902 . . . . 0.0 113.436 173.134 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 3.9 t -64.29 -59.37 4.47 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-O 117.757 -1.116 . . . . 0.0 109.628 175.045 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . 0.286 0.0 OUTLIER -55.3 -38.17 46.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 N-CA-C 115.561 1.689 . . . . 0.0 115.561 172.963 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 24.8 mtpt -56.05 -55.24 35.28 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 121.601 2.001 . . . . 0.0 113.613 169.798 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.53 -52.61 63.13 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.587 1.155 . . . . 0.0 110.319 176.413 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.565 ' CE2' HD13 ' A' ' 41' ' ' ILE . 1.7 t80 -55.16 -55.89 26.13 Favored 'General case' 0 C--N 1.346 0.421 0 CA-C-O 117.019 -1.467 . . . . 0.0 111.481 177.294 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 47.0 mttm -57.98 -47.91 81.57 Favored 'General case' 0 C--N 1.345 0.409 0 CA-C-N 120.181 1.355 . . . . 0.0 113.638 -178.566 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -67.82 -44.05 78.18 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 120.473 1.488 . . . . 0.0 113.565 -178.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 17.5 m -62.28 -37.29 84.93 Favored 'General case' 0 CA--C 1.557 1.218 0 N-CA-C 114.038 1.125 . . . . 0.0 114.038 168.44 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.6 t -62.85 -41.72 99.47 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 120.715 1.598 . . . . 0.0 114.127 170.334 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -65.39 -31.87 73.21 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 120.682 1.583 . . . . 0.0 112.961 171.567 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 21.6 mm -62.67 -48.24 89.11 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 CA-C-N 120.595 1.543 . . . . 0.0 113.112 163.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.02 -46.67 71.89 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 123.9 0.88 . . . . 0.0 113.196 173.688 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -63.89 -32.95 74.65 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 174.464 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -68.39 -56.25 9.16 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 119.66 1.118 . . . . 0.0 112.814 166.624 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . 0.26 33.1 m -64.89 -22.89 32.3 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 CA-C-N 120.905 1.684 . . . . 0.0 115.006 -176.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 12.9 mmt85 -59.72 -19.56 50.77 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 120.916 1.689 . . . . 0.0 114.976 166.219 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.69 -25.72 44.82 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 120.399 1.454 . . . . 0.0 112.929 170.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 . . . . . 0 CA--C 1.543 0.686 0 O-C-N 121.622 -0.674 . . . . 0.0 112.421 173.796 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 60.0 mt . . . . . 0 N--CA 1.48 1.036 0 CA-C-O 118.959 -0.544 . . . . 0.0 110.16 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -61.0 -45.16 95.94 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 116.69 -1.624 . . . . 0.0 113.556 175.283 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 -63.85 -39.18 93.61 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 124.035 3.107 . . . . 0.0 114.288 175.725 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.509 ' O ' ' HE1' ' A' ' 13' ' ' TYR . 0.5 OUTLIER -82.94 -37.92 23.48 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 114.672 1.36 . . . . 0.0 114.672 177.182 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -105.96 45.65 0.96 Allowed 'General case' 0 CA--C 1.553 1.07 0 N-CA-C 117.959 2.578 . . . . 0.0 117.959 162.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.7 28.01 0.01 OUTLIER 'General case' 0 CA--C 1.554 1.117 0 N-CA-C 119.176 3.028 . . . . 0.0 119.176 170.072 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 50.23 43.1 26.26 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 126.223 1.809 . . . . 0.0 113.65 -174.879 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.509 ' HE1' ' O ' ' A' ' 9' ' ' GLU . 0.6 OUTLIER -124.78 -152.32 0.51 Allowed 'General case' 0 CA--C 1.551 0.999 0 CA-C-N 115.174 -0.921 . . . . 0.0 111.678 -161.588 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 66.0 tttt -67.32 -47.37 70.73 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 126.259 1.824 . . . . 0.0 114.537 -166.14 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -83.16 80.28 9.11 Favored 'General case' 0 CA--C 1.545 0.75 0 CA-C-O 123.913 1.816 . . . . 0.0 114.106 -170.428 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.7 -46.1 77.74 Favored 'General case' 0 CA--C 1.541 0.635 0 CA-C-N 111.606 -2.543 . . . . 0.0 115.265 177.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.04 -32.62 74.43 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.15 0.98 . . . . 0.0 113.606 177.066 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 36.0 mt -85.46 -43.39 13.63 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.319 0.647 . . . . 0.0 111.463 -174.531 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.4 ptpp? -59.96 -32.64 71.0 Favored 'General case' 0 CA--C 1.549 0.914 0 O-C-N 120.696 -1.252 . . . . 0.0 113.539 161.125 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.1 ttpp -62.39 -39.98 94.98 Favored 'General case' 0 CA--C 1.549 0.922 0 CA-C-N 121.8 2.091 . . . . 0.0 111.615 167.538 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.2 m -51.73 -44.43 63.25 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 122.124 2.238 . . . . 0.0 113.125 166.299 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -50.35 -53.37 29.49 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 118.534 0.606 . . . . 0.0 112.408 166.513 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.252 6.6 m-30 -74.56 -30.53 61.77 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 114.136 1.162 . . . . 0.0 114.136 -172.824 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -62.05 -33.01 73.59 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 113.481 0.919 . . . . 0.0 113.481 163.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.43 -45.9 35.57 Favored Glycine 0 CA--C 1.537 1.466 0 CA-C-N 118.656 0.662 . . . . 0.0 114.359 167.727 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.07 -36.68 82.39 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 115.29 1.589 . . . . 0.0 115.29 -179.54 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -74.2 66.92 1.31 Allowed 'General case' 0 CA--C 1.553 1.061 0 N-CA-C 114.395 1.258 . . . . 0.0 114.395 173.256 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.48 ' HD3' ' O ' ' A' ' 29' ' ' ASN . 0.7 OUTLIER 63.68 -55.47 0.21 Allowed 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 127.154 2.181 . . . . 0.0 116.289 170.104 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.48 ' O ' ' HD3' ' A' ' 28' ' ' ARG . 28.2 t-20 71.99 146.46 0.07 Allowed 'General case' 0 CA--C 1.555 1.154 0 C-N-CA 127.488 2.315 . . . . 0.0 114.481 -171.433 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -61.91 -24.08 66.73 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 115.944 1.831 . . . . 0.0 115.944 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -101.03 144.24 30.2 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 120.233 1.379 . . . . 0.0 113.419 -174.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -69.59 -17.21 63.52 Favored 'General case' 0 CA--C 1.546 0.821 0 CA-C-N 113.641 -1.618 . . . . 0.0 114.6 172.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 89.1 m -142.71 84.34 1.84 Allowed 'General case' 0 CA--C 1.542 0.636 0 O-C-N 119.042 -2.286 . . . . 0.0 109.666 165.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 30.9 p -61.6 -20.99 63.95 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 114.016 -1.447 . . . . 0.0 114.896 -176.304 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.6 mp0 -64.73 -32.08 73.59 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.976 1.31 . . . . 0.0 113.239 174.174 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -66.26 -48.52 70.2 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-O 123.583 1.658 . . . . 0.0 111.971 171.231 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.565 ' O ' HD12 ' A' ' 41' ' ' ILE . 45.8 mmm-85 -60.88 -45.08 96.0 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 113.214 -1.812 . . . . 0.0 111.564 172.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.454 ' HA ' ' HB ' ' A' ' 41' ' ' ILE . . . -80.69 3.31 22.53 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 122.061 2.209 . . . . 0.0 116.679 171.87 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.45 -37.48 77.36 Favored 'General case' 0 CA--C 1.547 0.845 0 O-C-N 119.329 -2.107 . . . . 0.0 111.863 145.563 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 80.8 mtp180 -80.06 -40.53 27.5 Favored 'General case' 0 CA--C 1.558 1.265 0 N-CA-C 116.722 2.119 . . . . 0.0 116.722 171.457 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.565 HD12 ' O ' ' A' ' 37' ' ' ARG 0.278 2.2 mp -51.63 97.38 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.547 0.841 0 CA-C-O 126.479 3.038 . . . . 0.0 114.412 167.658 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -110.18 36.93 2.86 Favored 'General case' 0 CA--C 1.549 0.935 1 CA-C-N 108.033 -4.167 . . . . 0.0 114.342 -179.595 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 95.0 mt -68.51 -48.23 73.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 O-C-N 120.719 -1.238 . . . . 0.0 112.9 -179.412 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -177.14 149.32 9.42 Favored Glycine 0 CA--C 1.542 1.78 0 CA-C-O 116.095 -2.503 . . . . 0.0 113.185 176.436 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_exo -48.33 -57.57 2.27 Favored 'Trans proline' 0 C--N 1.36 1.174 1 C-N-CA 125.388 4.059 . . . . 0.0 117.199 -172.467 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 20.2 mtpp -66.05 -27.18 67.9 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.895 1.072 . . . . 0.0 113.895 173.795 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.33 -54.28 22.09 Favored 'General case' 0 C--N 1.349 0.58 0 CA-C-O 116.866 -1.54 . . . . 0.0 109.675 173.252 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -52.99 -46.7 53.99 Favored 'Isoleucine or valine' 0 C--N 1.352 0.7 0 CA-C-N 121.375 1.898 . . . . 0.0 114.318 171.065 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -55.14 -53.34 57.19 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 119.951 1.251 . . . . 0.0 113.217 174.343 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.44 -56.24 24.42 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.39 0.676 . . . . 0.0 111.723 174.517 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.456 ' HE2' HD13 ' A' ' 41' ' ' ILE . 67.1 t80 -59.3 -53.36 59.11 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.465 1.106 . . . . 0.0 113.536 -178.339 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -65.91 -44.06 86.32 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-O 118.982 -0.532 . . . . 0.0 110.922 -177.471 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.468 ' O ' HG12 ' A' ' 57' ' ' ILE . 39.9 m-20 -70.94 -43.79 67.44 Favored 'General case' 0 C--N 1.355 0.838 0 CA-C-N 119.683 1.128 . . . . 0.0 112.914 -177.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.5 m -57.98 -42.04 84.25 Favored 'General case' 0 CA--C 1.548 0.9 0 CA-C-O 117.505 -1.236 . . . . 0.0 113.658 166.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.59 -39.53 88.47 Favored 'General case' 0 CA--C 1.548 0.881 0 CA-C-N 121.518 1.963 . . . . 0.0 113.572 176.265 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -59.36 -44.67 92.66 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 123.453 0.701 . . . . 0.0 112.859 170.255 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.468 HG12 ' O ' ' A' ' 53' ' ' ASP . 6.4 mm -68.1 -35.82 73.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 O-C-N 121.383 -0.823 . . . . 0.0 112.672 174.437 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.65 -45.17 77.71 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.509 0.723 . . . . 0.0 112.864 168.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -59.55 -50.69 72.91 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 113.437 0.902 . . . . 0.0 113.437 168.612 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -57.36 -50.05 74.19 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.825 0.85 . . . . 0.0 113.097 177.601 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 76.5 t -64.19 -50.71 75.55 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.611 0 CA-C-O 118.091 -0.957 . . . . 0.0 112.736 175.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 81.6 mtt85 -74.73 -12.55 60.44 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 115.541 1.682 . . . . 0.0 115.541 -178.77 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.82 -31.72 65.01 Favored 'General case' 0 CA--C 1.545 0.769 0 O-C-N 120.258 -1.526 . . . . 0.0 113.23 161.472 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 . . . . . 0 CA--C 1.543 0.706 0 C-N-CA 123.569 0.748 . . . . 0.0 112.788 176.383 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . 0.26 1.8 pt . . . . . 0 N--CA 1.481 1.081 0 CA-C-O 117.655 -1.164 . . . . 0.0 111.16 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -57.52 -62.59 1.67 Allowed 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 117.048 -1.453 . . . . 0.0 111.795 170.02 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -65.09 -31.54 72.79 Favored 'General case' 0 CA--C 1.549 0.905 0 CA-C-N 123.174 2.716 . . . . 0.0 115.269 -172.446 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.472 ' HG2' ' HB2' ' A' ' 50' ' ' ALA . 0.7 OUTLIER -88.74 -52.69 4.99 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 122.541 2.428 . . . . 0.0 113.996 170.502 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.41 6.92 3.24 Favored 'General case' 0 CA--C 1.557 1.223 0 CA-C-N 122.54 2.427 . . . . 0.0 116.218 172.213 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.71 -48.6 30.86 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 118.046 -2.909 . . . . 0.0 113.351 152.115 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.5 ptpp? -80.9 60.61 4.19 Favored 'General case' 0 CA--C 1.551 0.983 0 CA-C-O 123.397 1.57 . . . . 0.0 112.432 -173.539 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -52.39 -23.5 6.09 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 116.567 2.062 . . . . 0.0 116.567 -179.422 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 59.3 tptt -57.75 -36.79 72.58 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 125.768 1.627 . . . . 0.0 113.22 165.635 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -85.16 75.73 10.28 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-O 125.486 2.565 . . . . 0.0 110.525 175.728 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.68 -49.15 71.32 Favored 'General case' 0 CA--C 1.531 0.241 1 CA-C-N 107.86 -4.245 . . . . 0.0 114.804 -169.105 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 57.1 mtp -64.46 -35.3 80.5 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.647 0.779 . . . . 0.0 112.699 177.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 77.1 mt -81.39 -44.66 17.22 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-N 118.86 0.754 . . . . 0.0 112.882 -173.562 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.98 -26.67 66.03 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 118.759 -1.176 . . . . 0.0 113.004 165.511 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.7 tmtm? -67.48 -35.68 79.65 Favored 'General case' 0 CA--C 1.55 0.953 0 CA-C-N 122.021 2.191 . . . . 0.0 111.269 166.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 75.1 m -54.47 -42.38 70.59 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 122.255 2.298 . . . . 0.0 113.632 164.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -49.28 -55.83 11.43 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 122.908 0.483 . . . . 0.0 111.467 164.012 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.3 6.8 m-30 -73.22 -24.44 60.5 Favored 'General case' 0 CA--C 1.556 1.187 0 N-CA-C 114.155 1.168 . . . . 0.0 114.155 -173.496 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -60.26 -36.55 78.03 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.296 1.038 . . . . 0.0 113.381 160.089 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.95 -39.83 63.59 Favored Glycine 0 CA--C 1.532 1.109 0 CA-C-N 119.139 0.882 . . . . 0.0 115.016 167.654 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.52 -42.56 99.0 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 114.466 1.284 . . . . 0.0 114.466 177.11 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -73.46 66.8 1.0 Allowed 'General case' 0 CA--C 1.555 1.17 0 CA-C-N 120.183 1.356 . . . . 0.0 114.497 175.056 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 -71.39 54.48 0.21 Allowed 'General case' 0 CA--C 1.554 1.133 0 N-CA-C 117.485 2.402 . . . . 0.0 117.485 -178.609 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -69.41 -24.7 63.88 Favored 'General case' 0 CA--C 1.552 1.023 0 N-CA-C 115.545 1.684 . . . . 0.0 115.545 -176.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -72.22 -25.0 61.48 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 121.771 2.078 . . . . 0.0 114.46 175.789 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 58.51 -18.38 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 119.411 3.115 . . . . 0.0 119.411 -177.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.31 -113.84 0.0 OUTLIER 'General case' 0 CA--C 1.555 1.154 0 CA-C-N 122.996 2.634 . . . . 0.0 114.393 169.651 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 67.6 p -103.62 138.64 40.01 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 117.368 -3.332 . . . . 0.0 113.112 -178.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 41.0 t -64.12 -41.22 97.32 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 115.129 -0.941 . . . . 0.0 112.344 169.728 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.8 mp0 -69.02 -29.87 68.13 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 115.326 1.602 . . . . 0.0 115.326 -174.568 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -68.8 -52.1 33.82 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 122.981 2.628 . . . . 0.0 110.716 172.276 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.581 ' O ' HD12 ' A' ' 41' ' ' ILE . 20.1 ttt180 -46.16 -56.5 5.58 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.811 1.644 . . . . 0.0 111.936 168.045 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -84.61 -0.04 51.85 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 117.549 2.426 . . . . 0.0 117.549 176.339 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.44 -30.37 68.28 Favored 'General case' 0 CA--C 1.543 0.687 0 O-C-N 119.225 -2.172 . . . . 0.0 112.448 151.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 29.6 mmt180 -74.06 -42.49 60.14 Favored 'General case' 0 CA--C 1.55 0.976 0 N-CA-C 113.048 0.758 . . . . 0.0 113.048 168.362 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.581 HD12 ' O ' ' A' ' 37' ' ' ARG 0.297 3.5 mp -71.76 86.19 0.35 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.888 0 CA-C-O 127.12 3.343 . . . . 0.0 113.259 169.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.6 tppt? -86.25 -7.87 58.19 Favored 'General case' 0 CA--C 1.548 0.872 1 CA-C-N 106.912 -4.676 . . . . 0.0 115.684 -171.562 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 48.4 mm -58.72 -42.44 85.25 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.838 0 N-CA-C 115.691 1.737 . . . . 0.0 115.691 -158.052 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -175.48 161.82 30.97 Favored Glycine 0 CA--C 1.545 1.931 0 CA-C-O 117.712 -1.604 . . . . 0.0 115.822 176.244 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_exo -51.59 -50.92 12.39 Favored 'Trans proline' 0 C--N 1.362 1.246 1 C-N-CA 125.315 4.01 . . . . 0.0 116.288 178.659 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 45.0 mttm -63.92 -28.38 69.79 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 113.854 1.057 . . . . 0.0 113.854 172.765 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 38.8 t -68.53 -58.33 4.46 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-O 117.495 -1.241 . . . . 0.0 111.067 173.376 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -51.99 -41.23 31.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 CA-C-N 120.404 1.456 . . . . 0.0 114.892 171.134 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.1 mmpt? -63.19 -48.75 77.03 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 115.706 1.743 . . . . 0.0 115.706 172.335 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.472 ' HB2' ' HG2' ' A' ' 9' ' ' GLU . . . -53.33 -50.09 65.72 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 119.55 1.068 . . . . 0.0 110.789 169.42 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.565 ' CE2' HD13 ' A' ' 41' ' ' ILE . 2.4 t80 -55.35 -58.37 7.99 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.095 1.358 . . . . 0.0 112.443 177.538 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 20.6 tttm -63.58 -39.75 95.18 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.752 0.821 . . . . 0.0 112.957 -175.753 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -77.77 -36.2 50.81 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 120.828 -1.17 . . . . 0.0 114.119 178.493 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.2 m -58.27 -38.11 76.29 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-O 117.728 -1.13 . . . . 0.0 113.887 160.615 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 25.7 m -56.1 -44.54 79.17 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 121.227 1.83 . . . . 0.0 113.864 166.627 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 18.6 m-30 -59.93 -40.76 90.02 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 119.647 1.112 . . . . 0.0 113.252 172.671 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 27.1 mm -60.6 -50.78 79.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 CA-C-N 118.955 0.798 . . . . 0.0 112.726 169.717 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.38 -43.3 79.09 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 113.895 1.072 . . . . 0.0 113.895 174.637 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -64.93 -37.51 87.87 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 174.048 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 71.0 tp60 -62.83 -45.84 90.73 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 119.08 0.854 . . . . 0.0 112.496 169.08 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 69.0 t -60.34 -54.92 28.26 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.735 0 CA-C-O 117.691 -1.147 . . . . 0.0 113.189 175.025 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 16.7 ptt180 -64.51 -25.41 67.98 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 120.913 1.688 . . . . 0.0 114.799 -178.486 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.66 -30.02 68.63 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 113.51 0.93 . . . . 0.0 113.51 170.157 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 . . . . . 0 CA--C 1.542 0.656 0 C-N-CA 123.534 0.734 . . . . 0.0 112.192 172.276 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.5 mt . . . . . 0 N--CA 1.483 1.223 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -59.68 -39.79 85.7 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-O 117.607 -1.187 . . . . 0.0 112.826 178.596 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -63.91 -38.63 91.81 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 122.355 2.343 . . . . 0.0 115.121 171.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -83.46 -46.81 12.07 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 121.362 1.892 . . . . 0.0 113.258 175.313 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.19 4.64 5.37 Favored 'General case' 0 CA--C 1.555 1.145 0 N-CA-C 116.24 1.941 . . . . 0.0 116.24 166.664 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.88 -37.8 73.04 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 118.202 -2.811 . . . . 0.0 112.597 148.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 51.6 mttp -77.67 60.33 2.17 Favored 'General case' 0 CA--C 1.547 0.863 0 CA-C-O 122.812 1.292 . . . . 0.0 111.963 -175.267 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -65.38 -19.96 66.18 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 113.657 0.984 . . . . 0.0 113.657 172.295 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -64.08 -42.93 96.78 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 124.674 1.189 . . . . 0.0 112.225 163.291 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 -93.1 69.48 4.43 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-O 126.196 2.903 . . . . 0.0 110.097 177.119 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.9 -37.83 69.41 Favored 'General case' 0 CA--C 1.533 0.317 1 CA-C-N 107.382 -4.463 . . . . 0.0 114.517 -171.54 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 60.7 mtp -62.46 -37.09 84.57 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.117 0.967 . . . . 0.0 113.461 175.574 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 74.2 mt -85.48 -42.75 14.18 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 123.268 0.627 . . . . 0.0 112.079 -175.802 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.0 tmtt? -62.34 -36.87 83.57 Favored 'General case' 0 CA--C 1.554 1.103 0 CA-C-O 117.54 -1.219 . . . . 0.0 114.12 163.459 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.58 -25.6 63.14 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 123.882 3.037 . . . . 0.0 110.969 170.825 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.5 t -61.43 -39.46 90.86 Favored 'General case' 0 CA--C 1.552 1.035 0 CA-C-N 121.667 2.03 . . . . 0.0 112.98 166.32 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.3 t -49.07 -57.26 6.88 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.175 0.59 . . . . 0.0 110.971 159.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.296 6.0 m-30 -72.43 -19.19 61.63 Favored 'General case' 0 CA--C 1.557 1.239 0 N-CA-C 114.458 1.281 . . . . 0.0 114.458 -173.738 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -59.47 -47.73 84.37 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.463 1.105 . . . . 0.0 112.89 156.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.76 -37.77 92.91 Favored Glycine 0 N--CA 1.472 1.096 0 N-CA-C 115.124 0.81 . . . . 0.0 115.124 171.092 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.44 -47.05 80.55 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 118.063 0.932 . . . . 0.0 112.928 171.584 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -77.15 61.33 2.05 Favored 'General case' 0 CA--C 1.551 1.014 0 CA-C-O 122.829 1.299 . . . . 0.0 113.741 173.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 37.0 ttp180 -88.36 47.64 1.53 Allowed 'General case' 0 CA--C 1.553 1.074 0 CA-C-O 122.62 1.2 . . . . 0.0 112.269 178.027 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.97 -20.68 66.28 Favored 'General case' 0 CA--C 1.55 0.978 0 O-C-N 120.667 -1.27 . . . . 0.0 113.897 -172.348 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -65.27 -36.35 83.85 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 114.618 1.34 . . . . 0.0 114.618 168.367 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 50.28 39.49 20.15 Favored 'General case' 0 CA--C 1.551 1.015 0 N-CA-C 117.353 2.353 . . . . 0.0 117.353 -169.224 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -79.13 -171.11 2.51 Favored 'General case' 0 CA--C 1.555 1.143 0 O-C-N 119.999 -1.688 . . . . 0.0 112.235 162.375 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.0 p -75.35 115.85 15.45 Favored 'General case' 0 CA--C 1.542 0.665 0 O-C-N 119.197 -2.189 . . . . 0.0 110.932 168.181 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.3 p -62.65 -26.11 68.47 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 116.118 1.896 . . . . 0.0 116.118 -166.153 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.18 -25.18 65.11 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 113.536 0.939 . . . . 0.0 113.536 172.013 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -75.74 -45.91 33.89 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 120.773 1.624 . . . . 0.0 110.903 174.177 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.477 ' O ' HD12 ' A' ' 41' ' ' ILE . 67.0 ttt180 -57.19 -48.62 78.3 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.433 169.38 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.429 ' HA ' ' HB ' ' A' ' 41' ' ' ILE 0.296 . . -77.96 -10.04 59.39 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 117.369 2.359 . . . . 0.0 117.369 174.581 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.76 -34.76 78.6 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 121.205 1.82 . . . . 0.0 112.825 153.826 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.3 mpp_? -69.35 -43.19 74.14 Favored 'General case' 0 CA--C 1.552 1.045 0 N-CA-C 114.259 1.207 . . . . 0.0 114.259 165.247 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.538 HD13 ' CE2' ' A' ' 51' ' ' PHE 0.26 2.4 mp -60.59 -56.11 19.95 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 N-CA-C 116.645 2.091 . . . . 0.0 116.645 169.66 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -11.05 68.56 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 130.626 3.57 . . . . 0.0 118.588 -173.822 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 65.3 mt -71.36 -42.36 73.8 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.738 0 CA-C-N 108.93 -3.759 . . . . 0.0 110.692 166.2 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -161.97 164.28 35.26 Favored Glycine 0 CA--C 1.545 1.966 0 N-CA-C 115.99 1.156 . . . . 0.0 115.99 179.092 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_exo -53.25 -46.77 31.45 Favored 'Trans proline' 0 C--N 1.361 1.2 0 C-N-CA 125.207 3.938 . . . . 0.0 115.669 174.645 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.0 mtpm? -64.02 -31.97 73.34 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 123.962 0.905 . . . . 0.0 113.193 174.384 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 21.6 t -66.11 -60.69 2.57 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-O 117.374 -1.298 . . . . 0.0 109.767 173.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -49.67 -39.29 14.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 CA-C-N 120.877 1.671 . . . . 0.0 115.105 171.405 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.5 tptp -64.68 -52.36 57.63 Favored 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 113.955 1.094 . . . . 0.0 113.955 173.065 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.38 -48.7 62.46 Favored 'General case' 0 CA--C 1.549 0.941 0 CA-C-N 120.02 1.282 . . . . 0.0 110.608 170.831 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.538 ' CE2' HD13 ' A' ' 41' ' ' ILE . 2.7 t80 -55.47 -52.53 63.32 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.83 1.252 . . . . 0.0 112.274 175.126 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 32.4 mmtt -60.82 -41.79 96.43 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 115.246 1.572 . . . . 0.0 115.246 178.7 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -68.97 -42.4 76.64 Favored 'General case' 0 CA--C 1.55 0.971 0 CA-C-O 121.773 0.797 . . . . 0.0 113.125 178.033 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 19.4 m -67.02 -29.3 69.08 Favored 'General case' 0 CA--C 1.555 1.159 0 N-CA-C 114.904 1.446 . . . . 0.0 114.904 166.434 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 45.7 t -58.8 -41.71 87.39 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-N 122.268 2.304 . . . . 0.0 112.647 165.485 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -54.86 -47.96 73.55 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-O 118.35 -0.833 . . . . 0.0 112.327 166.572 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 24.3 mm -57.03 -49.36 79.69 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.142 0 N-CA-C 114.98 1.474 . . . . 0.0 114.98 168.72 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.3 -43.56 71.22 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 113.723 1.009 . . . . 0.0 113.723 174.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -67.3 -36.49 81.62 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 113.512 0.931 . . . . 0.0 113.512 173.243 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -64.4 -42.66 95.97 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 120.205 1.366 . . . . 0.0 113.046 168.503 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 76.5 t -60.35 -39.1 79.92 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.77 0 CA-C-N 119.187 0.903 . . . . 0.0 112.455 172.541 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 23.0 mmt180 -68.95 -36.89 78.46 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 115.508 1.67 . . . . 0.0 115.508 167.118 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.93 -47.81 64.81 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 121.319 1.872 . . . . 0.0 113.51 171.834 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 . . . . . 0 CA--C 1.552 1.048 0 O-C-N 120.397 -1.439 . . . . 0.0 112.146 175.168 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.6 pt . . . . . 0 N--CA 1.484 1.247 0 CA-C-O 118.836 -0.602 . . . . 0.0 111.348 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -58.42 -56.39 22.79 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-O 116.482 -1.723 . . . . 0.0 111.035 171.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -58.43 -31.07 67.4 Favored 'General case' 0 CA--C 1.554 1.097 0 CA-C-N 123.913 3.051 . . . . 0.0 116.003 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -82.7 -62.86 1.49 Allowed 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 121.801 2.091 . . . . 0.0 111.941 173.403 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.52 4.57 1.32 Allowed 'General case' 0 CA--C 1.556 1.193 0 N-CA-C 117.422 2.379 . . . . 0.0 117.422 172.144 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.96 -34.17 26.51 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 123.54 2.882 . . . . 0.0 115.22 155.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 34.2 mtmm -62.74 -45.07 94.43 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 114.474 1.287 . . . . 0.0 114.474 -170.575 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER 62.19 -22.86 0.05 OUTLIER 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 118.61 2.819 . . . . 0.0 118.61 165.581 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.9 mttp -61.59 -40.3 94.3 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.028 1.331 . . . . 0.0 109.797 160.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -89.13 58.95 4.74 Favored 'General case' 0 CA--C 1.548 0.901 0 CA-C-O 123.707 1.718 . . . . 0.0 111.741 169.609 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.73 -39.52 94.35 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 112.73 -2.032 . . . . 0.0 114.225 -177.344 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 55.3 ttp -64.34 -30.47 71.51 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.613 1.165 . . . . 0.0 112.682 174.189 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 58.0 mt -87.19 -39.77 15.18 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 121.609 -0.682 . . . . 0.0 111.653 -178.109 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.34 -42.96 61.62 Favored 'General case' 0 CA--C 1.556 1.193 0 N-CA-C 115.122 1.527 . . . . 0.0 115.122 153.518 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.41 -34.24 77.31 Favored 'General case' 0 CA--C 1.553 1.082 0 O-C-N 118.855 -2.403 . . . . 0.0 111.253 171.117 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 8.7 t -61.81 -38.21 87.28 Favored 'General case' 0 CA--C 1.552 1.039 0 CA-C-N 120.526 1.512 . . . . 0.0 113.959 168.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 2.1 t -47.37 -54.88 10.04 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.565 0.746 . . . . 0.0 110.353 158.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.419 ' O ' ' HD2' ' A' ' 27' ' ' TYR 0.295 6.5 m-30 -72.38 -20.35 61.46 Favored 'General case' 0 CA--C 1.553 1.062 0 N-CA-C 114.512 1.301 . . . . 0.0 114.512 -174.822 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -58.92 -46.85 86.94 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 119.414 1.006 . . . . 0.0 113.241 156.269 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.07 -40.88 99.14 Favored Glycine 0 CA--C 1.535 1.314 0 N-CA-C 115.2 0.84 . . . . 0.0 115.2 170.833 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.43 -41.81 93.13 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 113.732 1.012 . . . . 0.0 113.732 174.3 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.419 ' HD2' ' O ' ' A' ' 23' ' ' TYR . 51.7 m-85 -71.52 72.47 0.72 Allowed 'General case' 0 CA--C 1.549 0.932 0 CA-C-O 123.707 1.717 . . . . 0.0 113.243 170.846 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 58.6 ttt85 -83.05 113.52 20.65 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-N 113.587 -1.642 . . . . 0.0 112.394 172.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 12.5 p30 -85.87 -112.02 0.04 OUTLIER 'General case' 0 CA--C 1.553 1.08 0 N-CA-C 113.754 1.02 . . . . 0.0 113.754 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -78.26 44.68 0.51 Allowed 'General case' 0 CA--C 1.554 1.101 0 CA-C-N 122.726 2.512 . . . . 0.0 115.391 -174.406 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 51.7 60.11 4.08 Favored 'General case' 0 CA--C 1.552 1.054 0 N-CA-C 116.818 2.155 . . . . 0.0 116.818 -177.511 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -71.99 154.53 41.11 Favored 'General case' 0 CA--C 1.554 1.118 0 N-CA-C 115.343 1.609 . . . . 0.0 115.343 178.362 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 32.1 m -78.99 109.83 13.65 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 120.311 -1.493 . . . . 0.0 110.747 173.151 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 54.1 m -59.34 -42.86 92.47 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 116.649 2.092 . . . . 0.0 116.649 -163.443 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -77.82 -19.2 55.36 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 120.342 1.428 . . . . 0.0 114.121 177.421 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.0 tm-20 -75.03 -48.4 24.24 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 120.479 1.49 . . . . 0.0 109.851 167.223 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.545 ' O ' HD12 ' A' ' 41' ' ' ILE . 20.6 ttt180 -53.04 -49.99 65.18 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.93 1.292 . . . . 0.0 111.619 171.165 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -91.57 11.31 24.64 Favored 'General case' 0 CA--C 1.55 0.973 0 N-CA-C 116.699 2.111 . . . . 0.0 116.699 173.769 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.14 -34.1 65.89 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 119.015 -2.303 . . . . 0.0 112.192 144.525 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 28.2 mmt180 -69.28 -47.23 65.18 Favored 'General case' 0 CA--C 1.55 0.979 0 O-C-N 121.654 -0.654 . . . . 0.0 111.847 169.543 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.545 HD12 ' O ' ' A' ' 37' ' ' ARG . 3.4 mp -70.46 83.76 0.23 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.945 0 CA-C-O 127.224 3.393 . . . . 0.0 112.49 165.045 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.76 -4.79 58.87 Favored 'General case' 0 CA--C 1.548 0.892 1 CA-C-N 107.001 -4.636 . . . . 0.0 115.215 -169.62 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 63.1 mt -61.38 -36.97 76.49 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.949 0 N-CA-C 114.898 1.444 . . . . 0.0 114.898 -160.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -173.31 162.25 33.37 Favored Glycine 0 CA--C 1.547 2.034 0 CA-C-N 120.606 1.548 . . . . 0.0 116.568 174.362 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_exo -53.17 -48.67 20.82 Favored 'Trans proline' 0 C--N 1.361 1.229 0 C-N-CA 125.138 3.892 . . . . 0.0 115.52 173.495 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 32.5 mmtt -66.44 -25.34 66.7 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 114.038 1.125 . . . . 0.0 114.038 172.551 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 11.1 t -67.22 -60.2 2.8 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 117.232 -1.366 . . . . 0.0 109.266 171.727 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -48.7 -42.72 13.34 Favored 'Isoleucine or valine' 0 C--N 1.353 0.741 0 CA-C-N 120.734 1.607 . . . . 0.0 114.993 170.861 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.63 -54.25 45.38 Favored 'General case' 0 CA--C 1.555 1.151 0 N-CA-C 114.771 1.397 . . . . 0.0 114.771 175.062 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.21 -47.12 72.47 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.772 1.229 . . . . 0.0 110.848 169.807 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.537 ' CE2' HD13 ' A' ' 41' ' ' ILE . 4.0 t80 -55.5 -53.41 56.71 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.385 1.474 . . . . 0.0 112.699 176.594 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 52.2 tptt -64.47 -37.7 88.45 Favored 'General case' 0 CA--C 1.55 0.952 0 CA-C-N 118.962 0.801 . . . . 0.0 113.046 179.296 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -61.91 -50.52 71.84 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 119.838 1.199 . . . . 0.0 113.328 172.3 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 2.7 m -60.43 -30.99 69.98 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 115.237 1.569 . . . . 0.0 115.237 168.699 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 53.9 t -58.33 -44.85 88.87 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 122.034 2.197 . . . . 0.0 112.622 165.731 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -57.83 -41.51 82.43 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 113.939 1.089 . . . . 0.0 113.939 169.831 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.0 mp -64.77 -42.83 96.04 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 N-CA-C 114.859 1.429 . . . . 0.0 114.859 168.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.1 -44.89 79.5 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 123.938 0.895 . . . . 0.0 112.984 171.42 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -61.9 -42.54 99.19 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.106 0.962 . . . . 0.0 113.305 169.494 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -60.03 -54.16 49.29 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-O 118.164 -0.922 . . . . 0.0 113.347 172.829 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 4.5 p -68.61 -22.87 27.28 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.959 0 CA-C-N 120.362 1.437 . . . . 0.0 113.47 179.522 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.45 -45.3 94.84 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 120.886 -1.134 . . . . 0.0 112.658 166.064 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -84.65 -53.74 5.18 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 114.01 1.115 . . . . 0.0 114.01 177.59 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 . . . . . 0 CA--C 1.548 0.884 0 CA-C-O 123.383 1.563 . . . . 0.0 112.52 -175.275 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.7 mp . . . . . 0 N--CA 1.486 1.357 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -60.71 -50.19 74.5 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 115.155 -2.355 . . . . 0.0 113.815 -178.787 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . 0.267 0.1 OUTLIER -71.66 -17.55 62.24 Favored 'General case' 0 CA--C 1.545 0.762 1 CA-C-N 126.004 4.002 . . . . 0.0 114.516 175.606 . . . . . . . . 4 3 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -78.91 -67.13 0.78 Allowed 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 122.216 2.28 . . . . 0.0 112.146 164.465 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.35 -6.66 31.22 Favored 'General case' 0 CA--C 1.551 0.999 0 N-CA-C 118.448 2.758 . . . . 0.0 118.448 178.745 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.62 -46.14 19.96 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 124.941 3.519 . . . . 0.0 112.199 156.759 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 46.5 mmtm -85.0 68.35 10.53 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-O 123.3 1.524 . . . . 0.0 111.0 -175.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -52.58 -10.61 0.16 Allowed 'General case' 0 CA--C 1.55 0.961 0 N-CA-C 116.451 2.019 . . . . 0.0 116.451 175.692 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -59.98 -31.0 69.5 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.476 1.11 . . . . 0.0 112.81 161.38 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 16.8 m-30 -82.79 59.04 4.59 Favored 'General case' 0 CA--C 1.549 0.941 0 CA-C-O 122.901 1.334 . . . . 0.0 110.361 172.155 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.23 -51.69 67.18 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 115.885 1.809 . . . . 0.0 115.885 -164.564 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 34.7 ttm -66.99 -32.71 74.12 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.418 1.087 . . . . 0.0 112.671 176.485 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 69.4 mt -82.37 -37.79 25.11 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.482 0.713 . . . . 0.0 112.524 -175.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -69.59 -29.45 66.99 Favored 'General case' 0 CA--C 1.546 0.804 0 O-C-N 120.742 -1.224 . . . . 0.0 112.084 164.441 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 47.5 tttm -65.76 -33.84 76.8 Favored 'General case' 0 CA--C 1.551 0.992 0 CA-C-N 121.784 2.084 . . . . 0.0 111.176 166.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.2 t -60.63 -40.54 92.31 Favored 'General case' 0 CA--C 1.553 1.072 0 CA-C-N 120.391 1.45 . . . . 0.0 113.229 167.866 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -48.77 -55.98 9.95 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.772 0.829 . . . . 0.0 111.58 160.376 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.281 10.0 m-30 -73.64 -22.43 59.99 Favored 'General case' 0 CA--C 1.551 0.994 0 N-CA-C 115.004 1.483 . . . . 0.0 115.004 -173.308 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -58.04 -49.25 77.52 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.607 1.163 . . . . 0.0 111.025 158.738 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.19 -33.63 87.43 Favored Glycine 0 CA--C 1.534 1.254 0 N-CA-C 116.199 1.24 . . . . 0.0 116.199 171.664 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.01 -38.59 89.21 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 118.84 1.32 . . . . 0.0 112.66 169.787 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -72.18 74.71 0.96 Allowed 'General case' 0 CA--C 1.556 1.204 0 CA-C-O 122.837 1.304 . . . . 0.0 111.482 164.628 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.88 129.54 36.35 Favored 'General case' 0 CA--C 1.549 0.91 0 O-C-N 120.381 -1.45 . . . . 0.0 113.173 176.468 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -86.87 140.36 29.73 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 123.987 0.915 . . . . 0.0 112.762 -178.286 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -64.77 -29.62 70.6 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 115.07 1.507 . . . . 0.0 115.07 176.722 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -92.2 -59.3 2.13 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.071 0.948 . . . . 0.0 111.82 -172.254 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -77.15 157.6 30.88 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-O 122.536 1.16 . . . . 0.0 113.932 173.741 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.7 t -95.91 156.67 16.23 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 121.063 -1.023 . . . . 0.0 111.003 159.359 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 90.4 m -58.53 -37.92 76.65 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 115.269 1.581 . . . . 0.0 115.269 -166.679 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.5 mp0 -68.41 -48.12 65.47 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.645 1.178 . . . . 0.0 114.116 -169.58 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.2 mp0 -67.23 -43.87 80.91 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.134 0.974 . . . . 0.0 112.666 176.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.55 ' O ' HD12 ' A' ' 41' ' ' ILE . 41.3 ttt180 -56.45 -48.53 76.86 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 114.933 -1.031 . . . . 0.0 111.715 169.308 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.409 ' HA ' ' HB ' ' A' ' 41' ' ' ILE . . . -76.97 -18.02 58.51 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 117.479 2.4 . . . . 0.0 117.479 175.369 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.99 -31.52 71.89 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-N 120.784 1.629 . . . . 0.0 112.882 158.502 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 43.2 ttp180 -74.27 -45.58 46.87 Favored 'General case' 0 CA--C 1.556 1.173 0 CA-C-O 117.511 -1.233 . . . . 0.0 113.897 165.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.553 HD13 ' CE2' ' A' ' 51' ' ' PHE . 2.0 mp -54.57 -52.82 36.97 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.195 0 CA-C-N 122.521 2.419 . . . . 0.0 115.928 168.016 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.8 ttpm? -9.47 69.89 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 130.518 3.527 . . . . 0.0 118.138 177.528 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.406 HG13 ' O ' ' A' ' 41' ' ' ILE . 66.8 mt -73.52 -42.1 56.05 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.676 1 CA-C-N 108.045 -4.161 . . . . 0.0 110.039 163.177 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -157.14 158.93 29.29 Favored Glycine 0 CA--C 1.545 1.959 0 CA-C-O 118.194 -1.337 . . . . 0.0 115.339 178.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -52.19 -44.58 45.09 Favored 'Trans proline' 0 C--N 1.361 1.188 0 C-N-CA 125.065 3.843 . . . . 0.0 115.55 172.851 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 28.9 tttm -66.83 -30.81 71.09 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 123.966 0.906 . . . . 0.0 112.255 176.418 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 35.8 t -66.64 -60.93 2.27 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-O 117.294 -1.336 . . . . 0.0 110.107 172.269 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -48.29 -39.85 9.64 Favored 'Isoleucine or valine' 0 C--N 1.353 0.752 0 CA-C-N 120.954 1.707 . . . . 0.0 114.85 172.245 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.4 tptp -70.76 -46.38 63.06 Favored 'General case' 0 CA--C 1.554 1.124 0 CA-C-O 117.092 -1.433 . . . . 0.0 114.656 174.362 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -49.42 -49.21 45.99 Favored 'General case' 0 N--CA 1.485 1.294 0 CA-C-N 122.689 2.495 . . . . 0.0 110.539 164.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.553 ' CE2' HD13 ' A' ' 41' ' ' ILE . 3.3 t80 -55.76 -57.5 11.77 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.24 1.416 . . . . 0.0 112.658 176.223 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 54.2 tptt -62.52 -37.67 86.98 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 113.799 1.037 . . . . 0.0 113.799 -179.392 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -73.99 -38.52 64.1 Favored 'General case' 0 CA--C 1.547 0.848 0 O-C-N 120.6 -1.312 . . . . 0.0 113.764 176.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.6 m -63.77 -32.68 74.26 Favored 'General case' 0 CA--C 1.549 0.935 0 O-C-N 120.632 -1.292 . . . . 0.0 114.35 163.84 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 50.3 t -58.79 -40.69 84.76 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-N 120.785 1.63 . . . . 0.0 112.955 166.337 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -56.44 -47.97 78.01 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-O 117.677 -1.154 . . . . 0.0 112.63 166.574 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 34.9 mm -56.2 -51.4 63.26 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 CA-C-N 120.477 1.489 . . . . 0.0 113.72 169.837 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.43 -48.21 74.77 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 114.313 1.227 . . . . 0.0 114.313 177.524 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 66.8 m-80 -70.23 -30.41 67.48 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 114.033 1.123 . . . . 0.0 114.033 174.822 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -62.4 -48.62 78.93 Favored 'General case' 0 CA--C 1.547 0.847 0 CA-C-N 119.623 1.101 . . . . 0.0 112.195 167.125 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 97.0 t -63.5 -34.49 67.79 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.892 0 C-N-CA 123.88 0.872 . . . . 0.0 112.749 173.077 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -62.22 -55.72 25.71 Favored 'General case' 0 CA--C 1.547 0.863 0 O-C-N 120.834 -1.166 . . . . 0.0 112.489 168.049 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.99 -21.39 66.84 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 115.234 1.568 . . . . 0.0 115.234 179.607 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 . . . . . 0 CA--C 1.55 0.951 0 N-CA-C 113.998 1.11 . . . . 0.0 113.998 165.941 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.7 mp . . . . . 0 N--CA 1.485 1.293 0 CA-C-O 118.698 -0.668 . . . . 0.0 110.377 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -53.76 -58.06 8.61 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-O 117.304 -1.332 . . . . 0.0 111.253 173.489 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -71.45 -7.83 49.94 Favored 'General case' 0 CA--C 1.555 1.147 0 CA-C-N 123.541 2.882 . . . . 0.0 115.124 -175.788 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -86.85 -69.41 0.68 Allowed 'General case' 0 CA--C 1.548 0.882 0 O-C-N 119.555 -1.966 . . . . 0.0 111.792 156.817 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.46 0.95 5.67 Favored 'General case' 0 CA--C 1.557 1.22 0 N-CA-C 118.622 2.823 . . . . 0.0 118.622 -178.631 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.39 -35.3 27.83 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 117.569 -3.207 . . . . 0.0 113.734 159.676 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 39.8 mmtm -72.12 -41.63 67.0 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 114.513 1.301 . . . . 0.0 114.513 -171.753 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 62.09 -26.96 0.06 Allowed 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 117.467 2.395 . . . . 0.0 117.467 173.82 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.3 mtmm -60.06 -36.78 78.09 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.885 1.674 . . . . 0.0 112.514 166.059 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -77.01 62.33 2.13 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-O 123.156 1.455 . . . . 0.0 111.739 167.193 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.15 -50.8 72.64 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 112.825 -1.989 . . . . 0.0 115.432 -167.263 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 32.6 ttm -65.64 -29.82 70.44 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.938 0.895 . . . . 0.0 112.494 177.124 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 56.3 mt -85.52 -41.69 15.09 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.787 0.835 . . . . 0.0 112.097 -174.739 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.62 -28.2 69.46 Favored 'General case' 0 CA--C 1.548 0.894 0 O-C-N 120.338 -1.476 . . . . 0.0 112.626 162.295 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.4 tmtm? -65.7 -36.82 84.73 Favored 'General case' 0 CA--C 1.552 1.025 0 CA-C-N 121.786 2.085 . . . . 0.0 111.56 166.469 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 97.3 m -54.34 -41.98 69.71 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 121.838 2.108 . . . . 0.0 114.022 164.434 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -50.01 -54.46 20.0 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.243 0.617 . . . . 0.0 111.594 164.042 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.264 5.7 m-30 -73.47 -21.43 60.44 Favored 'General case' 0 CA--C 1.55 0.972 0 N-CA-C 113.858 1.059 . . . . 0.0 113.858 -175.225 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -60.59 -43.4 97.43 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 119.15 0.886 . . . . 0.0 113.123 159.225 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.15 -40.92 95.14 Favored Glycine 0 CA--C 1.535 1.335 0 CA-C-O 119.088 -0.84 . . . . 0.0 115.141 171.76 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.49 -48.48 69.69 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 118.609 1.205 . . . . 0.0 113.763 175.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -80.32 55.46 2.24 Favored 'General case' 0 CA--C 1.549 0.933 0 CA-C-O 122.999 1.38 . . . . 0.0 112.494 174.505 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 58.7 ttp180 -75.02 120.05 20.02 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 114.989 -1.005 . . . . 0.0 112.174 178.27 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 21.1 m120 -68.86 101.53 1.37 Allowed 'General case' 0 CA--C 1.546 0.805 0 CA-C-O 121.898 0.856 . . . . 0.0 110.607 163.775 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -69.25 64.06 0.15 Allowed 'General case' 0 CA--C 1.548 0.873 0 CA-C-O 123.638 1.685 . . . . 0.0 115.135 -172.787 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -123.94 -73.43 0.64 Allowed 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 113.531 -1.668 . . . . 0.0 111.694 173.379 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 52.6 tt0 -75.2 152.47 38.37 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 124.421 1.089 . . . . 0.0 113.391 168.011 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.1 p -74.57 141.66 44.75 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 121.052 -1.03 . . . . 0.0 113.084 172.188 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 31.5 p -64.54 -31.03 72.08 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 116.004 1.853 . . . . 0.0 116.004 -164.556 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -69.03 -28.84 66.93 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 114.731 1.382 . . . . 0.0 114.731 179.379 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.1 mp0 -72.24 -45.48 60.04 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 120.383 1.447 . . . . 0.0 111.671 172.484 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.525 ' O ' HD12 ' A' ' 41' ' ' ILE . 35.9 ttm180 -60.52 -47.89 84.16 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 113.764 -1.562 . . . . 0.0 111.355 173.14 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -80.08 -2.46 44.48 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 116.604 2.076 . . . . 0.0 116.604 171.452 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.68 -30.14 67.74 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 119.407 -2.058 . . . . 0.0 112.66 151.345 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -75.17 -39.21 60.47 Favored 'General case' 0 CA--C 1.549 0.92 0 O-C-N 120.362 -1.461 . . . . 0.0 114.715 162.565 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.533 HD13 ' CE2' ' A' ' 51' ' ' PHE 0.305 3.2 mp -69.81 82.4 0.18 Allowed 'Isoleucine or valine' 0 CA--C 1.552 1.037 0 CA-C-O 127.105 3.336 . . . . 0.0 113.705 168.379 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 55.2 mttp -95.38 16.83 15.81 Favored 'General case' 0 CA--C 1.547 0.831 1 CA-C-N 107.646 -4.343 . . . . 0.0 115.652 -176.53 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 82.5 mt -64.41 -36.85 78.41 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.917 0 CA-C-N 119.803 1.183 . . . . 0.0 113.249 -172.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -178.58 163.1 30.75 Favored Glycine 0 CA--C 1.545 1.909 0 CA-C-O 118.28 -1.289 . . . . 0.0 115.452 171.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo -52.51 -44.94 43.35 Favored 'Trans proline' 0 C--N 1.36 1.177 0 C-N-CA 124.983 3.789 . . . . 0.0 115.489 172.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 51.0 tttm -68.81 -27.86 66.24 Favored 'General case' 0 CA--C 1.55 0.981 0 C-N-CA 124.235 1.014 . . . . 0.0 112.413 176.559 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 37.9 t -68.56 -56.71 7.39 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-O 117.332 -1.318 . . . . 0.0 111.685 170.5 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -52.11 -38.72 24.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 CA-C-N 121.244 1.838 . . . . 0.0 115.213 170.18 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 58.3 tttm -55.06 -59.71 4.38 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 123.75 0.82 . . . . 0.0 113.147 168.862 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.33 -48.85 65.23 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 124.4 1.08 . . . . 0.0 111.786 172.545 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.533 ' CE2' HD13 ' A' ' 41' ' ' ILE . 2.5 t80 -57.06 -54.2 49.45 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.957 1.303 . . . . 0.0 112.807 177.308 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.434 ' O ' ' HD1' ' A' ' 56' ' ' TYR . 12.0 mmtt -64.51 -41.3 96.5 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 -179.417 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -65.97 -43.66 87.2 Favored 'General case' 0 CA--C 1.547 0.848 0 O-C-N 121.686 -0.634 . . . . 0.0 112.641 175.649 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 6.8 m -66.79 -25.75 66.61 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 115.585 1.698 . . . . 0.0 115.585 167.118 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 41.9 t -60.32 -38.21 82.99 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 122.542 2.428 . . . . 0.0 112.01 163.257 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.434 ' HD1' ' O ' ' A' ' 52' ' ' LYS . 36.5 m-85 -61.03 -41.69 97.05 Favored 'General case' 0 CA--C 1.546 0.804 0 O-C-N 121.05 -1.032 . . . . 0.0 113.239 166.447 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 25.2 mm -58.44 -45.28 89.94 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 CA-C-N 120.509 1.504 . . . . 0.0 114.269 166.512 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.541 ' O ' ' HG2' ' A' ' 62' ' ' ARG . . . -51.18 -50.45 58.98 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.17 0.588 . . . . 0.0 112.126 172.604 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -61.21 -45.62 93.8 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 172.372 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -57.91 -42.43 84.69 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 124.685 1.194 . . . . 0.0 112.93 174.471 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 78.5 t -66.78 -53.02 38.76 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 CA-C-O 117.275 -1.345 . . . . 0.0 112.593 170.371 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.541 ' HG2' ' O ' ' A' ' 58' ' ' ALA . 68.6 mmt-85 -64.51 -27.88 69.28 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 121.633 2.015 . . . . 0.0 114.364 -177.246 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.31 -28.74 66.52 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 119.632 1.105 . . . . 0.0 113.907 168.722 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 . . . . . 0 CA--C 1.546 0.819 0 C-N-CA 123.96 0.904 . . . . 0.0 112.209 175.601 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 10.6 mt . . . . . 0 N--CA 1.487 1.383 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -59.55 -63.17 1.4 Allowed 'General case' 0 C--O 1.218 -0.598 0 CA-C-O 116.599 -1.667 . . . . 0.0 111.236 172.216 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -63.05 -24.41 67.9 Favored 'General case' 0 CA--C 1.556 1.205 0 CA-C-N 124.906 3.503 . . . . 0.0 115.001 -175.661 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -83.58 -62.81 1.48 Allowed 'General case' 0 CA--C 1.547 0.847 0 O-C-N 119.609 -1.932 . . . . 0.0 111.957 169.744 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -79.61 17.69 0.85 Allowed 'General case' 0 CA--C 1.558 1.263 0 N-CA-C 118.571 2.804 . . . . 0.0 118.571 172.655 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -84.57 -53.9 5.09 Favored 'General case' 0 N--CA 1.473 0.719 0 O-C-N 117.439 -3.288 . . . . 0.0 114.893 159.768 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.7 mttp -70.93 -27.92 64.12 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 114.467 1.284 . . . . 0.0 114.467 -166.863 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 61.46 -14.84 0.04 OUTLIER 'General case' 0 CA--C 1.552 1.023 0 N-CA-C 117.344 2.35 . . . . 0.0 117.344 171.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -55.26 -51.31 67.05 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.957 1.703 . . . . 0.0 112.991 169.367 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -80.43 66.63 6.0 Favored 'General case' 0 CA--C 1.552 1.032 0 CA-C-O 125.188 2.423 . . . . 0.0 112.07 167.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.68 -39.98 78.38 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 109.716 -3.402 . . . . 0.0 115.184 -174.832 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 59.1 mtp -66.17 -31.82 72.89 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 176.458 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 69.0 mt -85.88 -41.96 14.53 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.665 0.786 . . . . 0.0 111.843 -176.728 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.6 tmtt? -56.16 -39.03 71.71 Favored 'General case' 0 CA--C 1.556 1.199 0 N-CA-C 114.554 1.316 . . . . 0.0 114.554 156.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.7 tmtm? -66.72 -31.41 72.04 Favored 'General case' 0 CA--C 1.551 0.983 0 O-C-N 118.752 -2.468 . . . . 0.0 111.767 172.467 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.1 t -62.95 -37.3 86.51 Favored 'General case' 0 CA--C 1.553 1.089 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 166.771 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.3 t -46.85 -55.49 7.88 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 118.972 0.805 . . . . 0.0 110.503 158.234 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.319 5.8 m-30 -71.09 -23.18 62.07 Favored 'General case' 0 CA--C 1.556 1.202 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 -175.042 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -56.66 -44.57 81.51 Favored 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 114.63 1.344 . . . . 0.0 114.63 157.389 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.9 -45.41 93.67 Favored Glycine 0 CA--C 1.534 1.275 0 CA-C-O 119.678 -0.512 . . . . 0.0 114.227 168.057 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.17 -50.58 67.59 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 115.035 1.494 . . . . 0.0 115.035 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . 0.348 2.2 p90 -76.76 63.93 2.25 Favored 'General case' 0 CA--C 1.554 1.104 0 CA-C-N 122.901 2.591 . . . . 0.0 114.466 177.765 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 54.8 ttt-85 -92.19 131.9 37.07 Favored 'General case' 0 CA--C 1.549 0.926 0 O-C-N 121.276 -0.89 . . . . 0.0 113.058 177.006 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -105.17 143.69 33.0 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 123.758 0.823 . . . . 0.0 112.095 168.172 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -72.46 69.44 0.84 Allowed 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 115.859 1.8 . . . . 0.0 115.859 -174.554 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -136.61 -65.11 0.57 Allowed 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 112.557 -2.11 . . . . 0.0 111.906 168.578 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -71.98 161.61 30.67 Favored 'General case' 0 CA--C 1.551 1.008 0 N-CA-C 114.436 1.273 . . . . 0.0 114.436 171.325 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 13.5 t -112.64 148.94 33.56 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 119.933 -1.729 . . . . 0.0 111.982 170.83 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 41.5 t -55.72 -50.95 68.96 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 114.916 1.45 . . . . 0.0 114.916 -162.371 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.452 ' H ' ' CD ' ' A' ' 35' ' ' GLU . 0.8 OUTLIER -76.72 -23.46 53.09 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 113.794 1.035 . . . . 0.0 113.794 -177.747 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -72.39 -49.35 34.55 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.0 0.92 . . . . 0.0 110.888 167.496 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.581 ' O ' HD12 ' A' ' 41' ' ' ILE . 29.3 ttp85 -57.33 -47.32 81.88 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.258 172.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -88.24 5.81 39.87 Favored 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 117.202 2.297 . . . . 0.0 117.202 173.515 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.23 -35.62 73.98 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 119.176 -2.203 . . . . 0.0 111.895 147.055 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 32.9 mtp180 -71.07 -43.01 68.63 Favored 'General case' 0 CA--C 1.552 1.023 0 N-CA-C 114.101 1.149 . . . . 0.0 114.101 169.349 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.581 HD12 ' O ' ' A' ' 37' ' ' ARG 0.262 3.4 mp -70.58 87.29 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.961 0 CA-C-O 126.833 3.206 . . . . 0.0 113.153 165.472 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 33.9 mtmm -86.51 -6.56 58.86 Favored 'General case' 0 CA--C 1.544 0.719 1 CA-C-N 107.565 -4.379 . . . . 0.0 116.34 -174.542 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 46.5 mm -61.14 -36.7 74.36 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.858 0 N-CA-C 115.236 1.569 . . . . 0.0 115.236 -158.352 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -171.42 160.19 32.19 Favored Glycine 0 CA--C 1.545 1.95 0 CA-C-N 120.256 1.389 . . . . 0.0 115.856 175.434 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_exo -52.83 -49.77 16.39 Favored 'Trans proline' 0 C--N 1.361 1.235 0 C-N-CA 124.989 3.792 . . . . 0.0 115.243 173.363 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 48.2 mtpt -64.0 -27.68 69.29 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 113.589 0.959 . . . . 0.0 113.589 171.715 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 6.4 t -66.62 -59.93 3.16 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-O 117.345 -1.312 . . . . 0.0 109.113 174.33 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -50.71 -42.87 23.25 Favored 'Isoleucine or valine' 0 C--N 1.353 0.729 0 CA-C-N 120.585 1.539 . . . . 0.0 115.124 172.13 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.92 -56.81 17.43 Favored 'General case' 0 CA--C 1.551 0.998 0 N-CA-C 115.045 1.498 . . . . 0.0 115.045 174.728 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.89 -46.83 74.86 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.367 1.067 . . . . 0.0 110.93 171.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.563 ' CE2' HD13 ' A' ' 41' ' ' ILE . 3.1 t80 -53.8 -55.29 27.8 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.19 1.396 . . . . 0.0 112.445 176.338 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.0 tmtm? -64.3 -40.0 95.05 Favored 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 113.923 1.083 . . . . 0.0 113.923 -178.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 -67.18 -41.2 86.29 Favored 'General case' 0 CA--C 1.551 1.002 0 O-C-N 120.772 -1.205 . . . . 0.0 114.054 173.737 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 6.1 m -65.08 -29.94 70.85 Favored 'General case' 0 CA--C 1.55 0.951 0 N-CA-C 115.068 1.507 . . . . 0.0 115.068 167.122 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 60.9 m -58.67 -38.31 77.9 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 121.961 2.164 . . . . 0.0 113.121 162.151 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -60.09 -43.57 95.44 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-O 116.148 -1.882 . . . . 0.0 113.413 168.383 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.504 2.2 pp -69.15 -29.6 43.37 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 CA-C-N 123.767 2.985 . . . . 0.0 115.736 167.827 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.98 -41.39 78.31 Favored 'General case' 0 CA--C 1.549 0.929 0 CA-C-N 122.097 2.226 . . . . 0.0 112.901 168.191 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -68.06 -42.13 80.95 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 168.825 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -64.17 -28.67 69.92 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 120.886 1.675 . . . . 0.0 114.363 171.284 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 77.7 t -62.55 -51.08 76.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 CA-C-N 120.78 1.627 . . . . 0.0 111.609 164.029 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 77.2 mtt85 -60.16 -41.05 91.97 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 114.973 1.471 . . . . 0.0 114.973 175.134 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -84.42 7.09 20.85 Favored 'General case' 0 CA--C 1.55 0.975 0 N-CA-C 114.875 1.435 . . . . 0.0 114.875 173.247 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 . . . . . 0 N--CA 1.477 0.921 0 C-N-CA 126.963 2.105 . . . . 0.0 115.297 -179.31 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 10.3 mt . . . . . 0 N--CA 1.484 1.226 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.475 ' O ' ' HB2' ' A' ' 11' ' ' ALA . 47.3 mt-10 -62.64 -22.22 66.26 Favored 'General case' 0 CA--C 1.541 0.635 0 CA-C-O 117.228 -1.368 . . . . 0.0 114.128 178.471 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -71.46 -40.48 70.28 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-N 123.134 2.697 . . . . 0.0 113.52 168.77 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.411 ' OE2' ' HG3' ' A' ' 49' ' ' LYS . 11.7 mm-40 -83.14 -55.1 4.55 Favored 'General case' 0 N--CA 1.48 1.064 0 O-C-N 120.342 -1.474 . . . . 0.0 113.899 174.785 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.72 9.09 0.2 Allowed 'General case' 0 CA--C 1.557 1.237 0 N-CA-C 116.275 1.954 . . . . 0.0 116.275 164.036 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.475 ' HB2' ' O ' ' A' ' 7' ' ' GLU . . . -66.42 -41.79 88.7 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 118.475 -2.64 . . . . 0.0 112.916 147.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 47.1 mttp -80.64 57.44 2.94 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-O 122.451 1.119 . . . . 0.0 111.195 -168.496 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -65.92 -14.85 62.29 Favored 'General case' 0 CA--C 1.547 0.827 0 N-CA-C 114.705 1.372 . . . . 0.0 114.705 178.141 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.4 pttt -63.55 -34.19 77.25 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 159.083 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -101.51 72.53 1.41 Allowed 'General case' 0 CA--C 1.546 0.793 0 CA-C-O 124.966 2.317 . . . . 0.0 109.124 176.784 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.18 -43.46 74.36 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 109.278 -3.601 . . . . 0.0 114.352 -173.133 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 11.2 tpt -65.85 -32.57 74.16 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.604 0.761 . . . . 0.0 112.409 176.382 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 70.1 mt -83.13 -44.0 15.59 Favored 'General case' 0 CA--C 1.536 0.422 0 O-C-N 121.192 -0.942 . . . . 0.0 111.832 -175.204 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.66 -32.36 70.4 Favored 'General case' 0 CA--C 1.555 1.155 0 O-C-N 120.438 -1.414 . . . . 0.0 113.84 159.631 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -64.86 -31.94 73.4 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 123.835 3.016 . . . . 0.0 112.971 167.211 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 90.0 m -58.87 -38.44 78.81 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-N 121.511 1.96 . . . . 0.0 113.648 163.662 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . 0.267 0.1 OUTLIER -50.78 -49.62 57.9 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-N 118.839 0.745 . . . . 0.0 111.963 161.398 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.433 ' O ' ' HD1' ' A' ' 27' ' ' TYR 0.25 3.8 m-30 -73.83 -29.11 61.95 Favored 'General case' 0 CA--C 1.549 0.91 0 N-CA-C 113.822 1.045 . . . . 0.0 113.822 -176.584 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -58.79 -41.13 85.96 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.915 0.886 . . . . 0.0 113.136 162.132 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.94 -46.77 79.66 Favored Glycine 0 CA--C 1.534 1.246 0 CA-C-O 119.414 -0.659 . . . . 0.0 114.626 170.479 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.86 -34.16 72.76 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 114.067 1.136 . . . . 0.0 114.067 176.827 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.433 ' HD1' ' O ' ' A' ' 23' ' ' TYR . 42.3 m-85 -66.72 86.53 0.12 Allowed 'General case' 0 CA--C 1.549 0.909 0 CA-C-O 123.194 1.473 . . . . 0.0 112.296 163.562 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.0 tpm_? -56.19 125.05 20.03 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 113.723 -1.58 . . . . 0.0 113.272 169.036 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -86.58 -175.52 5.47 Favored 'General case' 0 CA--C 1.554 1.101 0 O-C-N 121.901 -0.499 . . . . 0.0 111.765 172.511 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -58.86 -82.2 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.97 0 N-CA-C 114.984 1.476 . . . . 0.0 114.984 -178.493 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -136.24 8.87 3.19 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 122.792 2.542 . . . . 0.0 114.544 177.666 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -72.0 146.11 47.9 Favored 'General case' 0 CA--C 1.552 1.021 0 O-C-N 120.68 -1.263 . . . . 0.0 112.32 174.595 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 73.6 p -81.86 158.31 24.06 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 113.842 1.053 . . . . 0.0 113.842 -178.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 73.5 m -60.43 -54.0 50.77 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.642 1.177 . . . . 0.0 114.134 -173.601 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.6 -21.95 63.54 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 -179.358 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -72.52 -54.67 8.56 Favored 'General case' 0 C--O 1.243 0.726 0 CA-C-N 119.864 1.211 . . . . 0.0 111.108 173.622 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.654 ' O ' HD12 ' A' ' 41' ' ' ILE . 29.2 ptt180 -64.82 -38.55 91.37 Favored 'General case' 0 C--N 1.347 0.486 0 CA-C-O 117.948 -1.025 . . . . 0.0 112.06 172.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . 0.261 . . -85.72 3.17 42.37 Favored 'General case' 0 CA--C 1.551 0.992 0 CA-C-N 122.359 2.345 . . . . 0.0 116.657 173.409 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -74.0 -31.73 63.08 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 119.153 -2.217 . . . . 0.0 112.656 148.051 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.452 ' HB3' ' O ' ' A' ' 37' ' ' ARG . 37.2 ttm180 -69.99 -45.09 68.07 Favored 'General case' 0 CA--C 1.556 1.184 0 O-C-N 121.284 -0.885 . . . . 0.0 112.854 166.62 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.654 HD12 ' O ' ' A' ' 37' ' ' ARG 0.273 3.3 mp -72.27 86.1 0.39 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.942 0 CA-C-O 126.759 3.171 . . . . 0.0 113.519 168.386 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 56.6 mttp -92.26 13.83 18.09 Favored 'General case' 0 CA--C 1.547 0.853 1 CA-C-N 107.975 -4.193 . . . . 0.0 116.252 -176.731 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 50.2 mm -65.25 -37.65 80.68 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.915 0 CA-C-N 119.758 1.163 . . . . 0.0 114.022 -170.355 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -179.39 161.97 28.4 Favored Glycine 0 CA--C 1.545 1.964 0 CA-C-O 117.9 -1.5 . . . . 0.0 115.656 173.208 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_exo -52.57 -48.79 20.05 Favored 'Trans proline' 0 C--N 1.361 1.212 0 C-N-CA 125.201 3.934 . . . . 0.0 115.721 175.766 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -64.89 -28.7 69.72 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 123.844 0.858 . . . . 0.0 113.267 174.13 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 41.8 t -68.26 -56.8 7.36 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.128 172.77 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -48.25 -43.5 12.04 Favored 'Isoleucine or valine' 0 C--N 1.352 0.69 0 CA-C-N 121.038 1.745 . . . . 0.0 114.57 169.362 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.411 ' HG3' ' OE2' ' A' ' 9' ' ' GLU . 24.9 tptp -58.7 -55.28 37.09 Favored 'General case' 0 CA--C 1.559 1.296 0 N-CA-C 114.946 1.461 . . . . 0.0 114.946 172.629 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.8 -46.23 74.47 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-N 120.639 1.563 . . . . 0.0 112.115 169.668 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.583 ' CE2' HD13 ' A' ' 41' ' ' ILE . 2.8 t80 -56.38 -58.39 8.21 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.802 1.241 . . . . 0.0 112.15 176.285 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.12 -42.73 91.26 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.453 1.101 . . . . 0.0 112.334 -178.651 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.488 ' O ' HD12 ' A' ' 57' ' ' ILE . 82.4 m-20 -61.31 -57.67 11.37 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 118.606 0.639 . . . . 0.0 112.553 175.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 12.5 m -61.38 -29.73 70.1 Favored 'General case' 0 CA--C 1.549 0.918 0 N-CA-C 115.359 1.615 . . . . 0.0 115.359 173.518 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 8.3 t -65.75 -38.61 89.57 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 121.118 1.781 . . . . 0.0 112.537 170.374 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 7.5 m-30 -59.63 -43.59 93.76 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-O 118.324 -0.846 . . . . 0.0 112.441 167.299 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.488 HD12 ' O ' ' A' ' 53' ' ' ASP . 2.1 mp -59.47 -47.51 90.52 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 CA-C-N 119.784 1.174 . . . . 0.0 113.946 168.785 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -51.64 -43.68 62.72 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 173.675 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 72.6 m-80 -72.0 -34.83 69.2 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 114.396 1.258 . . . . 0.0 114.396 171.578 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -60.18 -39.75 87.57 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 120.871 1.669 . . . . 0.0 113.316 166.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 99.2 t -62.33 -47.49 92.83 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.763 0 CA-C-N 119.436 1.017 . . . . 0.0 112.053 170.081 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 53.9 ttt180 -58.81 -40.09 83.07 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 113.732 1.012 . . . . 0.0 113.732 173.813 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -85.42 6.92 24.58 Favored 'General case' 0 CA--C 1.553 1.083 0 N-CA-C 115.339 1.607 . . . . 0.0 115.339 171.295 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 . . . . . 0 CA--C 1.552 1.027 0 C-N-CA 126.586 1.954 . . . . 0.0 115.06 -179.78 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 8.9 mt . . . . . 0 N--CA 1.482 1.155 0 CA-C-O 119.12 -0.467 . . . . 0.0 109.812 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -59.96 -67.55 0.37 Allowed 'General case' 0 CA--C 1.54 0.588 0 CA-C-O 116.686 -1.626 . . . . 0.0 111.301 169.26 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -66.19 -17.77 64.93 Favored 'General case' 0 CA--C 1.553 1.094 0 CA-C-N 124.658 3.39 . . . . 0.0 115.094 -173.16 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -85.8 -69.1 0.69 Allowed 'General case' 0 CA--C 1.545 0.758 0 O-C-N 119.796 -1.815 . . . . 0.0 111.75 164.353 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.87 1.37 12.84 Favored 'General case' 0 CA--C 1.554 1.112 0 N-CA-C 118.463 2.764 . . . . 0.0 118.463 -179.485 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -80.22 -50.19 10.59 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 117.911 -2.993 . . . . 0.0 111.708 155.228 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 69.2 tttt -88.48 70.47 8.98 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-O 124.059 1.885 . . . . 0.0 110.179 -171.841 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.4 m-30 -53.39 -3.66 0.03 OUTLIER 'General case' 0 CA--C 1.551 0.983 0 CA-C-N 112.096 -2.32 . . . . 0.0 117.187 178.053 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 58.9 tttp -60.06 -34.73 73.82 Favored 'General case' 0 CA--C 1.547 0.863 0 O-C-N 120.959 -1.088 . . . . 0.0 111.806 159.021 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 18.5 m-30 -80.91 59.87 3.92 Favored 'General case' 0 CA--C 1.549 0.907 0 O-C-N 120.594 -1.316 . . . . 0.0 111.191 174.08 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.55 -53.02 62.45 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 115.413 1.635 . . . . 0.0 115.413 -167.839 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 62.7 mtp -66.62 -27.72 67.92 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.454 0.909 . . . . 0.0 113.454 176.522 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 66.9 mt -86.59 -37.8 17.76 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.791 0.837 . . . . 0.0 112.521 -175.665 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.69 -32.08 71.65 Favored 'General case' 0 CA--C 1.545 0.755 0 O-C-N 120.963 -1.086 . . . . 0.0 111.993 163.511 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.2 ttpp -67.97 -26.13 65.78 Favored 'General case' 0 CA--C 1.555 1.166 0 O-C-N 119.844 -1.785 . . . . 0.0 111.892 169.473 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 11.3 t -66.81 -39.23 87.63 Favored 'General case' 0 CA--C 1.554 1.101 0 O-C-N 120.606 -1.309 . . . . 0.0 113.647 163.756 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -47.91 -50.63 26.21 Favored 'General case' 0 N--CA 1.483 1.213 0 CA-C-N 119.376 0.989 . . . . 0.0 111.419 160.794 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.297 4.3 m-30 -75.23 -22.79 57.66 Favored 'General case' 0 CA--C 1.554 1.132 0 N-CA-C 114.137 1.162 . . . . 0.0 114.137 -176.81 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -57.96 -42.1 84.27 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-N 120.067 1.303 . . . . 0.0 113.354 156.686 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.77 -49.37 79.31 Favored Glycine 0 CA--C 1.532 1.132 0 CA-C-O 119.226 -0.764 . . . . 0.0 114.252 169.532 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.22 -38.93 74.5 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 176.291 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -71.8 80.38 0.87 Allowed 'General case' 0 CA--C 1.55 0.977 0 CA-C-O 122.53 1.157 . . . . 0.0 112.042 164.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.7 tpt180 -63.31 119.29 9.37 Favored 'General case' 0 CA--C 1.55 0.958 0 N-CA-C 115.443 1.645 . . . . 0.0 115.443 174.318 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 34.7 m120 -81.06 118.63 22.67 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-O 121.627 0.727 . . . . 0.0 112.017 164.375 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -68.7 52.98 0.08 Allowed 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 126.014 1.725 . . . . 0.0 115.624 179.481 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -145.45 -75.13 0.22 Allowed 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 114.369 1.248 . . . . 0.0 114.369 -177.846 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -73.0 -178.74 2.92 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 115.772 1.767 . . . . 0.0 115.772 177.814 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 12.9 t -97.64 159.11 15.13 Favored 'General case' 0 CA--C 1.546 0.798 0 O-C-N 120.474 -1.392 . . . . 0.0 111.849 158.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 98.9 m -57.33 -50.87 71.57 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 115.268 1.581 . . . . 0.0 115.268 -167.187 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.98 -16.11 60.64 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 113.997 1.11 . . . . 0.0 113.997 -179.772 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -78.72 -50.42 11.41 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.741 1.216 . . . . 0.0 110.949 168.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.55 ' O ' HD12 ' A' ' 41' ' ' ILE . 12.4 ttp180 -54.32 -47.61 72.28 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 115.047 -0.978 . . . . 0.0 110.862 170.394 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -87.65 2.18 51.7 Favored 'General case' 0 CA--C 1.55 0.95 0 N-CA-C 117.638 2.458 . . . . 0.0 117.638 173.091 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.98 -30.87 70.24 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 118.789 -2.444 . . . . 0.0 112.091 150.377 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 37.2 ttp-105 -75.38 -44.1 46.74 Favored 'General case' 0 CA--C 1.553 1.069 0 N-CA-C 114.041 1.126 . . . . 0.0 114.041 166.482 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.551 HD13 ' CE2' ' A' ' 51' ' ' PHE 0.306 3.4 mp -66.87 85.78 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.551 0.995 0 CA-C-O 127.422 3.487 . . . . 0.0 113.393 165.825 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.9 tppt? -85.26 -4.79 59.28 Favored 'General case' 0 CA--C 1.547 0.849 1 CA-C-N 106.761 -4.745 . . . . 0.0 115.77 -168.725 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 72.3 mt -59.61 -39.28 79.08 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.884 0 N-CA-C 114.839 1.422 . . . . 0.0 114.839 -162.426 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -176.26 165.31 35.68 Favored Glycine 0 CA--C 1.544 1.846 0 CA-C-N 120.057 1.298 . . . . 0.0 116.02 174.127 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -60.83 -45.2 21.5 Favored 'Trans proline' 0 C--N 1.36 1.156 0 C-N-CA 124.35 3.366 . . . . 0.0 115.12 -179.642 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.1 mttm -59.95 -32.24 70.62 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.266 1.026 . . . . 0.0 113.568 170.015 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 26.1 t -68.52 -59.86 2.85 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-O 116.986 -1.483 . . . . 0.0 110.074 174.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -47.05 -46.37 8.59 Favored 'Isoleucine or valine' 0 C--N 1.353 0.75 0 CA-C-N 121.417 1.917 . . . . 0.0 115.058 171.83 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -60.56 -53.62 55.25 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 114.055 1.131 . . . . 0.0 114.055 174.157 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.06 -51.23 55.33 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 119.579 1.081 . . . . 0.0 111.134 171.689 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.551 ' CE2' HD13 ' A' ' 41' ' ' ILE . 2.9 t80 -55.26 -60.36 3.51 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.004 1.322 . . . . 0.0 111.983 178.203 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 57.7 tttp -59.83 -39.66 85.85 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 118.934 0.788 . . . . 0.0 113.06 -177.545 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -70.75 -48.78 52.63 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 119.311 0.96 . . . . 0.0 113.578 179.309 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.6 m -58.8 -38.82 79.43 Favored 'General case' 0 CA--C 1.55 0.952 0 N-CA-C 114.144 1.165 . . . . 0.0 114.144 168.53 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 13.5 t -63.84 -40.48 96.69 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 119.949 1.25 . . . . 0.0 113.487 175.251 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -62.49 -42.37 99.45 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 118.084 -0.96 . . . . 0.0 112.488 169.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 19.2 mm -59.94 -42.61 89.99 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 CA-C-N 120.251 1.387 . . . . 0.0 113.133 170.263 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.61 -50.22 66.13 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 123.807 0.843 . . . . 0.0 113.183 170.501 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -63.39 -40.95 98.62 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 113.815 1.043 . . . . 0.0 113.815 173.063 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.72 -43.85 95.33 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-O 117.668 -1.158 . . . . 0.0 113.844 170.709 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 62.5 t -61.35 -36.95 76.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 CA-C-N 121.405 1.911 . . . . 0.0 113.083 173.14 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 20.1 mmt85 -61.06 -37.8 83.94 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 119.795 1.179 . . . . 0.0 113.851 169.328 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.59 -48.64 18.57 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 113.664 0.987 . . . . 0.0 113.664 172.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 . . . . . 0 CA--C 1.552 1.033 0 CA-C-O 122.948 1.356 . . . . 0.0 113.829 -177.578 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . 0.366 1.0 OUTLIER . . . . . 0 N--CA 1.481 1.092 0 CA-C-O 117.297 -1.335 . . . . 0.0 112.565 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -62.85 -64.71 0.84 Allowed 'General case' 0 C--N 1.348 0.501 0 CA-C-O 115.817 -2.04 . . . . 0.0 111.268 173.738 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -71.44 -23.5 61.86 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 124.967 3.531 . . . . 0.0 115.716 -174.578 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -84.09 -55.56 4.14 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 122.332 2.333 . . . . 0.0 112.518 171.269 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.86 -3.87 43.78 Favored 'General case' 0 CA--C 1.553 1.078 0 N-CA-C 117.814 2.524 . . . . 0.0 117.814 174.247 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.59 -57.85 3.27 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 124.75 3.432 . . . . 0.0 112.271 155.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 41.7 mtmt -79.78 73.68 6.51 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-O 123.982 1.849 . . . . 0.0 111.907 -178.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.2 m-30 -50.1 -12.42 0.08 Allowed 'General case' 0 CA--C 1.551 1.012 0 CA-C-N 111.91 -2.404 . . . . 0.0 116.124 170.538 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -61.1 -28.03 68.8 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.763 1.225 . . . . 0.0 113.389 162.848 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 10.6 m-30 -81.39 60.27 4.37 Favored 'General case' 0 CA--C 1.552 1.029 0 O-C-N 120.154 -1.591 . . . . 0.0 109.917 171.143 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.17 -54.35 44.36 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 117.139 2.274 . . . . 0.0 117.139 -158.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 11.2 tpt -68.82 -31.95 71.3 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.269 1.028 . . . . 0.0 112.77 177.456 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 70.8 mt -79.51 -38.45 34.34 Favored 'General case' 0 CA--C 1.536 0.437 0 O-C-N 121.464 -0.773 . . . . 0.0 112.128 -177.393 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.09 -37.58 87.79 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 112.462 0.542 . . . . 0.0 112.462 162.334 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.5 tmtm? -67.66 -32.3 72.88 Favored 'General case' 0 CA--C 1.552 1.03 0 O-C-N 119.362 -2.086 . . . . 0.0 111.266 172.293 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 9.2 t -62.0 -39.77 93.36 Favored 'General case' 0 CA--C 1.554 1.112 0 CA-C-N 120.18 1.354 . . . . 0.0 113.962 167.238 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.8 t -45.46 -56.42 5.06 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.071 0.948 . . . . 0.0 110.971 159.743 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.403 ' HA ' ' HB3' ' A' ' 26' ' ' ALA 0.301 7.8 m-30 -72.61 -22.82 60.9 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 114.209 1.188 . . . . 0.0 114.209 -174.755 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -58.25 -40.31 81.43 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 159.144 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.91 -44.27 94.84 Favored Glycine 0 CA--C 1.534 1.278 0 N-CA-C 114.796 0.678 . . . . 0.0 114.796 166.355 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.403 ' HB3' ' HA ' ' A' ' 23' ' ' TYR . . . -63.4 -23.6 67.48 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 114.878 1.436 . . . . 0.0 114.878 177.461 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -62.23 84.8 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.064 0 CA-C-N 121.164 1.802 . . . . 0.0 110.768 161.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.1 tpm_? -62.36 108.38 1.09 Allowed 'General case' 0 CA--C 1.548 0.897 0 CA-C-O 122.55 1.167 . . . . 0.0 113.532 172.148 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -69.81 154.43 41.98 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-N 114.935 -1.029 . . . . 0.0 112.234 170.31 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -53.42 -50.93 64.17 Favored 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 115.737 1.755 . . . . 0.0 115.737 174.761 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -134.83 -21.09 1.71 Allowed 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 115.892 1.812 . . . . 0.0 115.892 -170.034 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -70.25 159.05 34.74 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 121.369 1.895 . . . . 0.0 114.868 179.475 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.8 t -107.55 160.54 15.6 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-O 122.513 1.149 . . . . 0.0 113.562 175.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 83.2 m -61.39 -54.95 37.02 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.434 1.493 . . . . 0.0 114.575 -164.257 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -73.72 -16.41 61.19 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 113.478 0.918 . . . . 0.0 113.478 -179.394 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -73.05 -50.78 21.02 Favored 'General case' 0 CA--C 1.548 0.874 0 O-C-N 120.389 -1.444 . . . . 0.0 111.044 168.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.592 ' O ' HD12 ' A' ' 41' ' ' ILE . 58.9 mtm180 -55.9 -51.18 68.49 Favored 'General case' 0 C--N 1.346 0.443 0 CA-C-N 114.943 -1.026 . . . . 0.0 111.528 168.759 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . 0.27 . . -90.02 11.71 19.81 Favored 'General case' 0 CA--C 1.551 0.993 0 N-CA-C 116.714 2.116 . . . . 0.0 116.714 178.563 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -72.62 -38.38 67.77 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 119.487 -2.008 . . . . 0.0 111.941 143.309 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 84.5 mtm180 -70.05 -45.8 66.35 Favored 'General case' 0 CA--C 1.554 1.103 0 N-CA-C 114.237 1.199 . . . . 0.0 114.237 168.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.592 HD12 ' O ' ' A' ' 37' ' ' ARG . 3.6 mp -72.68 89.08 0.46 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.892 0 CA-C-O 126.641 3.115 . . . . 0.0 113.134 168.026 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 34.2 mtmm -88.58 -7.23 56.78 Favored 'General case' 0 CA--C 1.543 0.697 1 CA-C-N 107.571 -4.377 . . . . 0.0 116.51 -174.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 47.0 mm -59.55 -38.9 77.7 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.903 0 N-CA-C 115.733 1.753 . . . . 0.0 115.733 -156.075 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -168.64 159.15 32.18 Favored Glycine 0 CA--C 1.545 1.936 0 CA-C-O 117.495 -1.725 . . . . 0.0 115.468 176.281 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_exo -52.55 -53.79 6.27 Favored 'Trans proline' 0 C--N 1.361 1.233 0 C-N-CA 125.183 3.922 . . . . 0.0 116.019 177.773 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 44.5 mttt -63.64 -27.56 69.32 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 172.876 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 34.8 t -65.15 -59.56 3.97 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-O 117.213 -1.375 . . . . 0.0 109.433 173.155 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -48.82 -45.41 15.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 CA-C-N 120.763 1.619 . . . . 0.0 115.027 171.039 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -62.29 -52.71 62.61 Favored 'General case' 0 CA--C 1.549 0.918 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 174.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.42 -46.46 69.79 Favored 'General case' 0 CA--C 1.548 0.893 0 CA-C-N 120.033 1.288 . . . . 0.0 110.815 171.077 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.581 ' CE2' HD13 ' A' ' 41' ' ' ILE . 3.9 t80 -55.1 -58.97 5.48 Favored 'General case' 0 C--N 1.35 0.6 0 C-N-CA 125.028 1.331 . . . . 0.0 112.386 175.504 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.403 ' O ' ' HD1' ' A' ' 56' ' ' TYR . 79.7 mttt -61.56 -38.98 89.46 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 119.264 0.938 . . . . 0.0 113.215 -178.256 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -72.8 -42.8 63.49 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 114.349 1.241 . . . . 0.0 114.349 178.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.4 m -60.02 -37.58 80.16 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 165.346 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 5.6 t -63.46 -38.01 89.5 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 119.681 1.128 . . . . 0.0 112.695 172.644 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.403 ' HD1' ' O ' ' A' ' 52' ' ' LYS . 18.5 m-85 -58.67 -45.28 89.77 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 119.771 1.169 . . . . 0.0 113.569 165.882 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 21.7 mm -59.92 -44.65 94.89 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 CA-C-N 119.569 1.077 . . . . 0.0 112.84 172.655 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.05 -45.64 75.28 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.393 1.077 . . . . 0.0 113.836 172.534 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -67.45 -34.24 76.77 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 114.145 1.165 . . . . 0.0 114.145 172.502 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -62.72 -46.11 89.61 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 119.818 1.19 . . . . 0.0 112.318 167.753 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 94.1 t -58.48 -42.28 83.97 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.842 0 CA-C-N 119.713 1.142 . . . . 0.0 112.55 172.648 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 43.7 ttt180 -59.29 -40.13 85.18 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 113.612 0.968 . . . . 0.0 113.612 171.787 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.27 -42.57 62.32 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 172.309 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 . . . . . 0 CA--C 1.543 0.701 0 N-CA-C 114.623 1.342 . . . . 0.0 114.623 178.731 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.5 mt . . . . . 0 N--CA 1.486 1.34 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -58.69 -60.38 3.91 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-O 116.955 -1.498 . . . . 0.0 111.82 173.702 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -66.76 -20.86 66.04 Favored 'General case' 0 CA--C 1.55 0.955 0 CA-C-N 123.803 3.002 . . . . 0.0 114.576 -176.263 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -85.84 -62.88 1.42 Allowed 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 121.795 2.089 . . . . 0.0 112.195 166.733 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.0 1.27 11.28 Favored 'General case' 0 CA--C 1.556 1.198 0 N-CA-C 117.936 2.569 . . . . 0.0 117.936 177.479 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.45 -50.62 12.3 Favored 'General case' 0 N--CA 1.474 0.729 0 O-C-N 117.517 -3.24 . . . . 0.0 111.781 154.466 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -80.19 70.46 6.82 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-O 122.847 1.308 . . . . 0.0 111.514 -177.846 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -55.09 -9.66 0.42 Allowed 'General case' 0 CA--C 1.552 1.029 0 N-CA-C 115.814 1.783 . . . . 0.0 115.814 172.486 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -61.51 -31.64 71.64 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.759 1.224 . . . . 0.0 113.274 160.459 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 14.3 m-30 -82.55 61.42 5.68 Favored 'General case' 0 CA--C 1.549 0.922 0 O-C-N 120.162 -1.586 . . . . 0.0 109.729 172.18 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.25 -52.09 62.47 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 115.7 1.741 . . . . 0.0 115.7 -164.206 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 34.4 ttm -67.98 -30.07 69.26 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.495 1.118 . . . . 0.0 112.813 177.217 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 66.0 mt -84.42 -39.39 19.05 Favored 'General case' 0 CA--C 1.536 0.406 0 O-C-N 121.381 -0.824 . . . . 0.0 112.356 -174.545 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.1 pptp? -67.26 -31.6 72.06 Favored 'General case' 0 CA--C 1.547 0.834 0 O-C-N 121.177 -0.952 . . . . 0.0 112.124 163.077 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.3 ttpp -68.2 -27.34 66.31 Favored 'General case' 0 CA--C 1.556 1.18 0 O-C-N 119.513 -1.992 . . . . 0.0 112.188 169.222 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 11.6 t -66.26 -39.39 89.44 Favored 'General case' 0 CA--C 1.553 1.071 0 O-C-N 120.44 -1.413 . . . . 0.0 113.593 165.43 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -47.77 -52.59 18.18 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.672 0.789 . . . . 0.0 110.932 160.472 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.311 5.0 m-30 -74.85 -18.33 60.46 Favored 'General case' 0 CA--C 1.555 1.143 0 N-CA-C 114.392 1.256 . . . . 0.0 114.392 -176.074 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -60.54 -44.56 95.96 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 120.401 1.455 . . . . 0.0 113.667 155.583 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.02 -42.25 98.31 Favored Glycine 0 CA--C 1.534 1.275 0 CA-C-O 119.51 -0.606 . . . . 0.0 114.288 170.4 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.87 -42.53 97.49 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 113.678 0.992 . . . . 0.0 113.678 172.647 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -70.91 69.47 0.46 Allowed 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 123.579 1.657 . . . . 0.0 113.855 170.796 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 29.8 ttt85 -89.07 84.29 6.57 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-O 123.502 1.62 . . . . 0.0 111.339 172.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 30.3 m120 -103.63 -23.42 13.47 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 113.781 -1.554 . . . . 0.0 115.186 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -76.97 -99.73 0.02 OUTLIER 'General case' 0 CA--C 1.557 1.212 0 N-CA-C 116.231 1.937 . . . . 0.0 116.231 -178.814 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -176.18 -34.61 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 125.652 1.581 . . . . 0.0 113.28 -166.678 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -67.29 163.06 21.37 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 115.889 1.811 . . . . 0.0 115.889 -169.324 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.0 t -82.98 153.56 24.93 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 120.46 -1.4 . . . . 0.0 112.425 176.837 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 72.9 m -59.3 -49.51 77.56 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 114.436 1.273 . . . . 0.0 114.436 -162.206 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -71.78 -22.53 61.57 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 113.697 0.999 . . . . 0.0 113.697 177.828 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -72.17 -52.49 16.35 Favored 'General case' 0 CA--C 1.548 0.874 0 O-C-N 119.731 -1.856 . . . . 0.0 111.177 171.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.553 ' O ' HD12 ' A' ' 41' ' ' ILE . 26.4 ttt-85 -53.32 -51.88 60.96 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 112.607 -2.088 . . . . 0.0 110.422 172.214 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -88.57 6.31 38.7 Favored 'General case' 0 CA--C 1.55 0.961 0 N-CA-C 117.332 2.345 . . . . 0.0 117.332 175.662 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.51 -35.73 75.79 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 118.944 -2.347 . . . . 0.0 111.786 148.848 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 88.2 mtm-85 -70.69 -41.72 71.64 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 113.668 0.988 . . . . 0.0 113.668 167.027 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.568 HD13 ' CE2' ' A' ' 51' ' ' PHE 0.253 3.4 mp -76.81 78.91 0.66 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.918 0 CA-C-O 127.378 3.466 . . . . 0.0 113.016 166.214 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -95.92 14.93 21.88 Favored 'General case' 0 CA--C 1.547 0.847 1 CA-C-N 107.346 -4.479 . . . . 0.0 115.381 -172.284 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 70.6 mt -66.57 -40.82 87.24 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.858 0 N-CA-C 113.641 0.978 . . . . 0.0 113.641 -168.79 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -169.9 159.89 32.68 Favored Glycine 0 CA--C 1.546 1.994 0 CA-C-O 117.793 -1.559 . . . . 0.0 115.894 175.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_exo -52.23 -48.62 20.8 Favored 'Trans proline' 0 C--N 1.362 1.243 0 C-N-CA 125.224 3.949 . . . . 0.0 115.851 175.417 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 22.3 mttm -62.19 -30.65 71.22 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 113.944 1.09 . . . . 0.0 113.944 172.052 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 24.7 t -68.79 -59.93 2.74 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-O 116.987 -1.482 . . . . 0.0 109.73 174.153 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -47.76 -43.98 10.35 Favored 'Isoleucine or valine' 0 C--N 1.354 0.769 0 CA-C-N 121.444 1.929 . . . . 0.0 114.996 171.278 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.27 -54.27 47.75 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 115.544 1.683 . . . . 0.0 115.544 172.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.81 -49.65 62.33 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.25 1.02 . . . . 0.0 110.786 170.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.568 ' CE2' HD13 ' A' ' 41' ' ' ILE . 4.1 t80 -55.45 -59.48 4.76 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.941 1.296 . . . . 0.0 112.358 177.361 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 56.6 mtmt -62.12 -35.86 80.0 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 114.317 1.228 . . . . 0.0 114.317 -178.02 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -76.44 -39.44 53.4 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 119.913 1.233 . . . . 0.0 113.877 177.434 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 5.3 m -63.01 -33.77 76.13 Favored 'General case' 0 CA--C 1.551 1.018 0 O-C-N 120.722 -1.236 . . . . 0.0 114.187 163.761 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 6.2 t -63.82 -37.64 88.13 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 120.758 1.617 . . . . 0.0 112.814 171.226 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -57.7 -45.93 85.01 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 123.985 0.914 . . . . 0.0 112.947 165.408 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 30.6 mm -58.2 -48.81 83.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 CA-C-N 120.141 1.337 . . . . 0.0 113.96 168.059 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.64 -45.7 77.57 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 176.496 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -66.24 -35.22 79.84 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 114.061 1.134 . . . . 0.0 114.061 171.646 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.437 ' O ' ' HG2' ' A' ' 64' ' ' GLU . 19.2 tt0 -61.58 -44.8 96.35 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 119.862 1.21 . . . . 0.0 111.949 168.767 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 85.2 t -61.43 -43.39 96.68 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.746 0 C-N-CA 123.959 0.904 . . . . 0.0 112.746 171.662 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 32.2 mmt180 -63.93 -29.75 70.89 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 120.207 1.367 . . . . 0.0 114.503 170.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.18 -55.06 10.32 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 120.057 1.299 . . . . 0.0 113.214 166.686 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 60' ' ' GLN . 15.5 pt-20 . . . . . 0 CA--C 1.555 1.171 0 CA-C-N 121.18 1.809 . . . . 0.0 113.382 178.776 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.7 mt . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.01 -53.51 56.95 Favored 'General case' 0 C--O 1.219 -0.518 0 CA-C-O 115.592 -2.147 . . . . 0.0 113.037 175.024 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -62.08 -20.62 64.2 Favored 'General case' 0 N--CA 1.477 0.914 1 CA-C-N 126.023 4.01 . . . . 0.0 114.885 178.659 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -84.49 -65.06 1.05 Allowed 'General case' 0 CA--C 1.545 0.756 0 O-C-N 120.784 -1.197 . . . . 0.0 111.848 167.515 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.15 3.52 10.46 Favored 'General case' 0 CA--C 1.556 1.197 0 N-CA-C 119.134 3.012 . . . . 0.0 119.134 177.357 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.46 -51.64 8.08 Favored 'General case' 0 N--CA 1.472 0.635 0 O-C-N 117.153 -3.467 . . . . 0.0 111.892 157.161 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.4 mtpt -84.27 70.1 10.54 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-O 123.568 1.651 . . . . 0.0 111.293 -173.745 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -56.55 0.35 0.03 OUTLIER 'General case' 0 CA--C 1.555 1.14 0 N-CA-C 116.474 2.027 . . . . 0.0 116.474 174.727 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -58.83 -51.43 70.03 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.549 1.54 . . . . 0.0 112.434 167.455 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . 0.259 0.6 OUTLIER -87.73 69.5 9.6 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-O 125.395 2.521 . . . . 0.0 111.681 170.285 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.42 -34.21 66.56 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 109.667 -3.424 . . . . 0.0 115.012 -177.719 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 58.2 ttp -63.32 -39.57 94.93 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.652 1.181 . . . . 0.0 113.092 173.185 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 79.4 mt -81.77 -38.55 25.46 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 121.568 -0.708 . . . . 0.0 112.259 -177.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.8 tmtt? -62.99 -34.03 76.67 Favored 'General case' 0 CA--C 1.552 1.052 0 O-C-N 121.445 -0.784 . . . . 0.0 112.999 163.289 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.6 tttm -61.76 -39.99 93.55 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 121.806 2.093 . . . . 0.0 111.168 166.409 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 96.3 m -53.3 -42.7 66.91 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 122.405 2.366 . . . . 0.0 113.914 168.521 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -48.65 -56.83 7.38 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.402 0.681 . . . . 0.0 111.35 163.689 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.265 7.8 m-30 -74.59 -21.23 59.59 Favored 'General case' 0 CA--C 1.553 1.074 0 N-CA-C 114.716 1.376 . . . . 0.0 114.716 -173.64 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -61.12 -40.11 92.54 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.485 1.114 . . . . 0.0 112.972 159.344 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.13 -54.75 35.37 Favored Glycine 0 CA--C 1.533 1.19 0 CA-C-O 119.197 -0.779 . . . . 0.0 113.975 166.216 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.94 -46.45 89.36 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 115.009 1.485 . . . . 0.0 115.009 -179.342 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -76.28 63.44 1.92 Allowed 'General case' 0 CA--C 1.55 0.946 0 CA-C-N 120.485 1.493 . . . . 0.0 113.267 176.674 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 73.4 ttt180 -77.15 78.19 3.69 Favored 'General case' 0 CA--C 1.548 0.886 0 CA-C-O 123.911 1.815 . . . . 0.0 112.448 179.311 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -89.33 -21.17 23.26 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 113.551 -1.659 . . . . 0.0 112.103 169.633 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -69.62 12.14 0.21 Allowed 'General case' 0 CA--C 1.551 0.989 0 N-CA-C 116.948 2.203 . . . . 0.0 116.948 -169.53 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . 0.309 3.3 p30 47.53 -35.07 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.179 0 N-CA-C 119.752 3.242 . . . . 0.0 119.752 -172.49 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -64.22 179.05 0.61 Allowed 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 126.85 2.06 . . . . 0.0 116.242 179.638 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 13.7 t -88.95 155.56 19.43 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 120.691 -1.256 . . . . 0.0 113.687 175.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 71.3 m -57.38 -53.01 62.98 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.672 1.589 . . . . 0.0 114.965 -167.232 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -73.54 -21.39 60.39 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 114.59 1.329 . . . . 0.0 114.59 -173.506 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -80.02 -47.8 14.34 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 121.64 2.018 . . . . 0.0 110.592 173.068 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.621 ' O ' HD12 ' A' ' 41' ' ' ILE . 15.9 ptt180 -63.22 -37.3 86.69 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-O 118.612 -0.709 . . . . 0.0 111.848 173.122 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -85.86 -3.33 58.89 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 116.8 2.148 . . . . 0.0 116.8 170.055 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -68.16 -25.66 65.38 Favored 'General case' 0 CA--C 1.543 0.685 0 O-C-N 119.236 -2.165 . . . . 0.0 112.306 150.344 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 42.2 mtt180 -73.62 -57.43 4.0 Favored 'General case' 0 CA--C 1.553 1.091 0 CA-C-O 117.414 -1.279 . . . . 0.0 112.471 164.669 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.621 HD12 ' O ' ' A' ' 37' ' ' ARG 0.317 3.2 mp -54.72 93.79 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.552 1.02 0 CA-C-O 127.178 3.37 . . . . 0.0 114.596 174.009 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.23 -8.37 53.63 Favored 'General case' 0 CA--C 1.544 0.732 1 CA-C-N 106.86 -4.7 . . . . 0.0 117.382 -166.636 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 2.2 mp -59.51 -37.03 68.05 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.968 0 N-CA-C 115.09 1.515 . . . . 0.0 115.09 -164.162 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 175.92 166.01 32.69 Favored Glycine 0 CA--C 1.545 1.94 0 CA-C-N 120.341 1.428 . . . . 0.0 116.184 171.425 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_exo -52.24 -46.2 34.31 Favored 'Trans proline' 0 C--N 1.361 1.206 0 C-N-CA 125.22 3.947 . . . . 0.0 115.897 175.35 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 48.4 tttm -68.42 -28.46 67.1 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 124.341 1.056 . . . . 0.0 112.352 177.001 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 30.1 t -67.33 -57.62 6.31 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 117.36 -1.305 . . . . 0.0 111.626 170.549 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -49.91 -39.72 15.62 Favored 'Isoleucine or valine' 0 C--N 1.352 0.71 0 CA-C-N 120.628 1.558 . . . . 0.0 114.536 170.19 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 26.5 tptp -63.63 -51.75 63.81 Favored 'General case' 0 CA--C 1.553 1.081 0 N-CA-C 114.614 1.339 . . . . 0.0 114.614 173.422 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.66 -49.45 62.29 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 119.963 1.256 . . . . 0.0 111.002 168.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.568 ' CE2' HD13 ' A' ' 41' ' ' ILE . 3.7 t80 -54.55 -56.68 16.37 Favored 'General case' 0 C--N 1.349 0.571 0 C-N-CA 125.226 1.41 . . . . 0.0 112.01 176.459 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 17.5 mmtt -60.47 -40.13 90.12 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 114.425 1.268 . . . . 0.0 114.425 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -65.52 -50.1 66.48 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 120.023 1.283 . . . . 0.0 113.958 175.671 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 5.9 m -62.63 -30.88 71.69 Favored 'General case' 0 CA--C 1.55 0.958 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 169.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.8 t -69.34 -33.91 73.82 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 120.516 1.507 . . . . 0.0 113.446 171.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -59.53 -42.35 92.11 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 120.577 -1.327 . . . . 0.0 112.771 164.207 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 26.0 mm -59.62 -44.44 93.39 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 N-CA-C 113.623 0.971 . . . . 0.0 113.623 168.239 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.54 -40.11 78.1 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 113.783 1.031 . . . . 0.0 113.783 172.272 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 50.0 m-80 -60.7 -43.73 97.41 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 119.994 1.27 . . . . 0.0 113.519 168.641 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -62.46 -41.14 98.56 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 113.221 0.822 . . . . 0.0 113.221 172.506 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 95.7 t -63.76 -45.77 96.33 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.738 0 CA-C-N 118.783 0.719 . . . . 0.0 112.437 169.587 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -66.29 -23.39 66.38 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 120.939 1.7 . . . . 0.0 115.564 174.638 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.79 -28.28 69.47 Favored 'General case' 0 CA--C 1.548 0.886 0 CA-C-N 119.807 1.185 . . . . 0.0 113.706 162.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 . . . . . 0 CA--C 1.546 0.79 0 C-N-CA 124.049 0.939 . . . . 0.0 112.082 173.214 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . 0.366 1.0 OUTLIER . . . . . 0 N--CA 1.481 1.092 0 CA-C-O 117.297 -1.335 . . . . 0.0 112.565 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -62.85 -64.71 0.84 Allowed 'General case' 0 C--N 1.348 0.501 0 CA-C-O 115.817 -2.04 . . . . 0.0 111.268 173.738 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -71.44 -23.5 61.86 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 124.967 3.531 . . . . 0.0 115.716 -174.578 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -84.09 -55.56 4.14 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 122.332 2.333 . . . . 0.0 112.518 171.269 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.86 -3.87 43.78 Favored 'General case' 0 CA--C 1.553 1.078 0 N-CA-C 117.814 2.524 . . . . 0.0 117.814 174.247 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.59 -57.85 3.27 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 124.75 3.432 . . . . 0.0 112.271 155.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 41.7 mtmt -79.78 73.68 6.51 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-O 123.982 1.849 . . . . 0.0 111.907 -178.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.2 m-30 -50.1 -12.42 0.08 Allowed 'General case' 0 CA--C 1.551 1.012 0 CA-C-N 111.91 -2.404 . . . . 0.0 116.124 170.538 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -61.1 -28.03 68.8 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.763 1.225 . . . . 0.0 113.389 162.848 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 10.6 m-30 -81.39 60.27 4.37 Favored 'General case' 0 CA--C 1.552 1.029 0 O-C-N 120.154 -1.591 . . . . 0.0 109.917 171.143 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.17 -54.35 44.36 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 117.139 2.274 . . . . 0.0 117.139 -158.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 11.2 tpt -68.82 -31.95 71.3 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.269 1.028 . . . . 0.0 112.77 177.456 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 70.8 mt -79.51 -38.45 34.34 Favored 'General case' 0 CA--C 1.536 0.437 0 O-C-N 121.464 -0.773 . . . . 0.0 112.128 -177.393 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.09 -37.58 87.79 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 112.462 0.542 . . . . 0.0 112.462 162.334 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.5 tmtm? -67.66 -32.3 72.88 Favored 'General case' 0 CA--C 1.552 1.03 0 O-C-N 119.362 -2.086 . . . . 0.0 111.266 172.293 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 9.2 t -62.0 -39.77 93.36 Favored 'General case' 0 CA--C 1.554 1.112 0 CA-C-N 120.18 1.354 . . . . 0.0 113.962 167.238 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.8 t -45.46 -56.42 5.06 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.071 0.948 . . . . 0.0 110.971 159.743 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.403 ' HA ' ' HB3' ' A' ' 26' ' ' ALA 0.301 7.8 m-30 -72.61 -22.82 60.9 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 114.209 1.188 . . . . 0.0 114.209 -174.755 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -58.25 -40.31 81.43 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 159.144 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.91 -44.27 94.84 Favored Glycine 0 CA--C 1.534 1.278 0 N-CA-C 114.796 0.678 . . . . 0.0 114.796 166.355 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.403 ' HB3' ' HA ' ' A' ' 23' ' ' TYR . . . -63.4 -23.6 67.48 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 114.878 1.436 . . . . 0.0 114.878 177.461 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -62.23 84.8 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.064 0 CA-C-N 121.164 1.802 . . . . 0.0 110.768 161.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.1 tpm_? -62.36 108.38 1.09 Allowed 'General case' 0 CA--C 1.548 0.897 0 CA-C-O 122.55 1.167 . . . . 0.0 113.532 172.148 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -69.81 154.43 41.98 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-N 114.935 -1.029 . . . . 0.0 112.234 170.31 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -53.42 -50.93 64.17 Favored 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 115.737 1.755 . . . . 0.0 115.737 174.761 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -134.83 -21.09 1.71 Allowed 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 115.892 1.812 . . . . 0.0 115.892 -170.034 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -70.25 159.05 34.74 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 121.369 1.895 . . . . 0.0 114.868 179.475 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.8 t -107.55 160.54 15.6 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-O 122.513 1.149 . . . . 0.0 113.562 175.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 83.2 m -61.39 -54.95 37.02 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.434 1.493 . . . . 0.0 114.575 -164.257 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -73.72 -16.41 61.19 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 113.478 0.918 . . . . 0.0 113.478 -179.394 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -73.05 -50.78 21.02 Favored 'General case' 0 CA--C 1.548 0.874 0 O-C-N 120.389 -1.444 . . . . 0.0 111.044 168.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.592 ' O ' HD12 ' A' ' 41' ' ' ILE . 58.9 mtm180 -55.9 -51.18 68.49 Favored 'General case' 0 C--N 1.346 0.443 0 CA-C-N 114.943 -1.026 . . . . 0.0 111.528 168.759 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . 0.27 . . -90.02 11.71 19.81 Favored 'General case' 0 CA--C 1.551 0.993 0 N-CA-C 116.714 2.116 . . . . 0.0 116.714 178.563 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -72.62 -38.38 67.77 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 119.487 -2.008 . . . . 0.0 111.941 143.309 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 84.5 mtm180 -70.05 -45.8 66.35 Favored 'General case' 0 CA--C 1.554 1.103 0 N-CA-C 114.237 1.199 . . . . 0.0 114.237 168.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.592 HD12 ' O ' ' A' ' 37' ' ' ARG . 3.6 mp -72.68 89.08 0.46 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.892 0 CA-C-O 126.641 3.115 . . . . 0.0 113.134 168.026 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 34.2 mtmm -88.58 -7.23 56.78 Favored 'General case' 0 CA--C 1.543 0.697 1 CA-C-N 107.571 -4.377 . . . . 0.0 116.51 -174.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 47.0 mm -59.55 -38.9 77.7 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.903 0 N-CA-C 115.733 1.753 . . . . 0.0 115.733 -156.075 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -168.64 159.15 32.18 Favored Glycine 0 CA--C 1.545 1.936 0 CA-C-O 117.495 -1.725 . . . . 0.0 115.468 176.281 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_exo -52.55 -53.79 6.27 Favored 'Trans proline' 0 C--N 1.361 1.233 0 C-N-CA 125.183 3.922 . . . . 0.0 116.019 177.773 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 44.5 mttt -63.64 -27.56 69.32 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 172.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 34.8 t -65.15 -59.56 3.97 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-O 117.213 -1.375 . . . . 0.0 109.433 173.155 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -48.82 -45.41 15.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 CA-C-N 120.763 1.619 . . . . 0.0 115.027 171.039 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -62.29 -52.71 62.61 Favored 'General case' 0 CA--C 1.549 0.918 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 174.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.42 -46.46 69.79 Favored 'General case' 0 CA--C 1.548 0.893 0 CA-C-N 120.033 1.288 . . . . 0.0 110.815 171.077 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.581 ' CE2' HD13 ' A' ' 41' ' ' ILE . 3.9 t80 -55.1 -58.97 5.48 Favored 'General case' 0 C--N 1.35 0.6 0 C-N-CA 125.028 1.331 . . . . 0.0 112.386 175.504 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.403 ' O ' ' HD1' ' A' ' 56' ' ' TYR . 79.7 mttt -61.56 -38.98 89.46 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 119.264 0.938 . . . . 0.0 113.215 -178.256 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -72.8 -42.8 63.49 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 114.349 1.241 . . . . 0.0 114.349 178.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.4 m -60.02 -37.58 80.16 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 165.346 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 5.6 t -63.46 -38.01 89.5 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 119.681 1.128 . . . . 0.0 112.695 172.644 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.403 ' HD1' ' O ' ' A' ' 52' ' ' LYS . 18.5 m-85 -58.67 -45.28 89.77 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 119.771 1.169 . . . . 0.0 113.569 165.882 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 21.7 mm -59.92 -44.65 94.89 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 CA-C-N 119.569 1.077 . . . . 0.0 112.84 172.655 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.05 -45.64 75.28 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.393 1.077 . . . . 0.0 113.836 172.534 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -67.45 -34.24 76.77 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 114.145 1.165 . . . . 0.0 114.145 172.502 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -62.72 -46.11 89.61 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 119.818 1.19 . . . . 0.0 112.318 167.753 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 94.1 t -58.48 -42.28 83.97 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.842 0 CA-C-N 119.713 1.142 . . . . 0.0 112.55 172.648 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 43.7 ttt180 -59.29 -40.13 85.18 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 113.612 0.968 . . . . 0.0 113.612 171.787 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.27 -42.57 62.32 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 172.309 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 . . . . . 0 CA--C 1.543 0.701 0 N-CA-C 114.623 1.342 . . . . 0.0 114.623 178.731 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.6 mp . . . . . 0 N--CA 1.483 1.18 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -61.37 -32.03 71.94 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 116.83 -1.557 . . . . 0.0 113.6 -178.881 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -70.99 -57.57 4.42 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 122.767 2.53 . . . . 0.0 113.021 171.124 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -66.11 -47.31 74.56 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 120.364 1.438 . . . . 0.0 112.815 -177.443 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.72 -0.24 15.02 Favored 'General case' 0 CA--C 1.555 1.158 0 N-CA-C 117.152 2.278 . . . . 0.0 117.152 165.372 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -79.04 -47.33 16.4 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 125.101 3.591 . . . . 0.0 112.851 151.449 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 43.2 mtmt -73.5 62.9 0.77 Allowed 'General case' 0 CA--C 1.55 0.971 0 CA-C-O 122.781 1.277 . . . . 0.0 112.554 -177.166 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -58.13 -12.01 3.1 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 115.287 1.588 . . . . 0.0 115.287 173.938 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -61.69 -36.85 82.09 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.679 1.192 . . . . 0.0 112.729 162.23 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -89.72 69.96 7.72 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-O 124.869 2.271 . . . . 0.0 109.979 174.006 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.7 -46.37 77.66 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 109.53 -3.486 . . . . 0.0 114.845 -167.855 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -70.45 -29.0 65.46 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.173 0.989 . . . . 0.0 113.597 177.046 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 84.5 mt -81.89 -40.27 22.62 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 119.622 1.101 . . . . 0.0 112.79 -178.285 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.1 pptp? -68.45 -32.01 71.73 Favored 'General case' 0 CA--C 1.547 0.837 0 O-C-N 121.486 -0.759 . . . . 0.0 112.657 163.933 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.29 -27.2 66.98 Favored 'General case' 0 CA--C 1.547 0.862 0 CA-C-N 121.962 2.165 . . . . 0.0 112.305 169.19 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 9.0 t -67.01 -38.71 86.45 Favored 'General case' 0 CA--C 1.551 0.997 0 CA-C-N 119.8 1.182 . . . . 0.0 113.73 164.798 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -47.81 -51.98 20.57 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-N 119.502 1.046 . . . . 0.0 110.833 159.076 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.331 5.1 m-30 -72.9 -26.74 61.53 Favored 'General case' 0 CA--C 1.55 0.955 0 N-CA-C 113.588 0.958 . . . . 0.0 113.588 -176.451 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -56.42 -37.63 70.48 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 119.93 1.241 . . . . 0.0 114.225 158.489 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.35 -44.57 90.26 Favored Glycine 0 CA--C 1.535 1.307 0 CA-C-N 118.979 0.808 . . . . 0.0 114.487 166.396 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.26 -47.41 73.8 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 115.846 1.795 . . . . 0.0 115.846 -177.665 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . 0.357 2.0 p90 -77.29 59.84 1.87 Allowed 'General case' 0 CA--C 1.553 1.079 0 CA-C-N 124.005 3.093 . . . . 0.0 114.484 176.974 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.91 123.05 38.16 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 113.852 -1.522 . . . . 0.0 110.651 178.034 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 29.9 m-80 -112.66 -124.87 0.28 Allowed 'General case' 0 CA--C 1.551 0.999 0 O-C-N 121.137 -0.977 . . . . 0.0 110.952 -173.327 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -67.89 -14.62 63.11 Favored 'General case' 0 CA--C 1.548 0.903 0 O-C-N 119.965 -1.709 . . . . 0.0 115.238 171.829 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -68.22 123.22 20.1 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 124.662 1.185 . . . . 0.0 112.276 -179.317 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -60.27 -81.01 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.847 0 N-CA-C 117.225 2.306 . . . . 0.0 117.225 -154.685 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.0 t -126.61 141.09 51.97 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 121.275 1.852 . . . . 0.0 113.864 -170.937 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 76.5 m -69.77 -50.94 38.31 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 115.796 1.776 . . . . 0.0 115.796 -163.808 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.72 -16.61 63.18 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 115.137 1.532 . . . . 0.0 115.137 -178.413 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -73.78 -53.8 9.47 Favored 'General case' 0 CA--C 1.55 0.953 0 CA-C-N 119.797 1.18 . . . . 0.0 111.352 167.932 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.615 ' O ' HD12 ' A' ' 41' ' ' ILE . 20.4 mtt85 -59.58 -40.65 88.06 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.134 0.974 . . . . 0.0 112.384 172.881 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -91.87 7.43 42.01 Favored 'General case' 0 CA--C 1.55 0.973 0 N-CA-C 116.402 2.001 . . . . 0.0 116.402 171.955 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.75 -32.83 68.12 Favored 'General case' 0 CA--C 1.543 0.673 0 O-C-N 118.923 -2.36 . . . . 0.0 112.013 145.507 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.444 ' HB3' ' O ' ' A' ' 37' ' ' ARG . 54.1 ttp180 -71.14 -49.47 43.69 Favored 'General case' 0 CA--C 1.556 1.179 0 N-CA-C 113.655 0.983 . . . . 0.0 113.655 166.267 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.615 HD12 ' O ' ' A' ' 37' ' ' ARG 0.259 3.3 mp -65.52 87.66 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.549 0.932 0 CA-C-O 127.183 3.373 . . . . 0.0 112.774 165.807 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.0 tppt? -86.41 -11.06 52.99 Favored 'General case' 0 CA--C 1.546 0.801 1 CA-C-N 106.961 -4.654 . . . . 0.0 115.784 -169.464 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 45.7 mm -59.33 -39.1 78.11 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.874 0 N-CA-C 115.605 1.706 . . . . 0.0 115.605 -156.357 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -172.55 161.73 33.32 Favored Glycine 0 CA--C 1.546 1.983 0 CA-C-N 120.78 1.627 . . . . 0.0 116.254 175.68 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_exo -53.22 -50.61 13.39 Favored 'Trans proline' 0 C--N 1.361 1.234 0 C-N-CA 125.18 3.92 . . . . 0.0 115.749 175.496 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 44.8 mttm -64.59 -26.24 68.32 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 113.931 1.085 . . . . 0.0 113.931 172.755 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 49.8 t -68.14 -60.56 2.38 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-O 116.988 -1.482 . . . . 0.0 109.794 171.759 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -49.02 -40.14 12.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 CA-C-N 121.323 1.874 . . . . 0.0 115.178 171.697 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.8 tptp -67.99 -48.27 66.23 Favored 'General case' 0 CA--C 1.552 1.036 0 N-CA-C 114.73 1.381 . . . . 0.0 114.73 174.948 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.14 -48.22 68.09 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 120.222 1.374 . . . . 0.0 110.238 167.451 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.541 ' CE2' HD13 ' A' ' 41' ' ' ILE . 2.9 t80 -55.57 -57.98 9.66 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.196 1.398 . . . . 0.0 112.49 175.924 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 53.3 tptt -64.75 -37.08 86.38 Favored 'General case' 0 CA--C 1.548 0.903 0 CA-C-N 119.81 1.186 . . . . 0.0 113.911 -177.18 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -74.82 -39.18 61.81 Favored 'General case' 0 CA--C 1.554 1.097 0 O-C-N 120.015 -1.678 . . . . 0.0 113.87 175.783 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.7 m -62.46 -34.35 76.65 Favored 'General case' 0 CA--C 1.551 0.982 0 N-CA-C 114.106 1.151 . . . . 0.0 114.106 165.066 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 15.1 t -54.75 -46.08 74.27 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 120.196 1.362 . . . . 0.0 113.551 165.523 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -54.32 -48.13 71.72 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-O 118.044 -0.979 . . . . 0.0 112.939 169.122 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 34.7 mm -56.55 -49.19 78.69 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.176 0 CA-C-N 119.534 1.061 . . . . 0.0 113.3 170.155 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.84 -45.01 86.86 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 114.216 1.191 . . . . 0.0 114.216 176.076 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 39.8 m-80 -68.52 -25.16 64.8 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 114.542 1.312 . . . . 0.0 114.542 174.113 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -67.29 -46.15 74.46 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 120.012 1.278 . . . . 0.0 112.004 162.823 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 94.3 t -65.49 -55.67 18.87 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.772 0 CA-C-O 117.236 -1.364 . . . . 0.0 113.674 176.219 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 29.2 ptt180 -68.18 -14.66 63.15 Favored 'General case' 0 CA--C 1.549 0.938 0 CA-C-N 122.177 2.262 . . . . 0.0 115.419 -176.674 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -79.73 -33.71 40.64 Favored 'General case' 0 CA--C 1.545 0.775 0 O-C-N 120.784 -1.197 . . . . 0.0 113.226 165.995 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 . . . . . 0 CA--C 1.547 0.836 0 C-N-CA 124.202 1.001 . . . . 0.0 112.479 176.726 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.5 mt . . . . . 0 N--CA 1.48 1.048 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.531 ' O ' ' HB2' ' A' ' 11' ' ' ALA . 38.6 mt-10 -71.87 -7.03 46.01 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 115.213 1.56 . . . . 0.0 115.213 179.577 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 81.0 mt-10 -76.23 -39.1 55.41 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 124.714 3.415 . . . . 0.0 113.51 161.502 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -83.01 -51.58 7.43 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 119.779 1.172 . . . . 0.0 112.621 173.821 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.85 12.68 0.36 Allowed 'General case' 0 CA--C 1.558 1.255 0 N-CA-C 116.984 2.216 . . . . 0.0 116.984 163.547 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.531 ' HB2' ' O ' ' A' ' 7' ' ' GLU . . . -67.08 -43.01 83.66 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 117.952 -2.968 . . . . 0.0 114.015 150.215 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 53.6 mttp -61.2 -53.43 57.06 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 114.46 -1.245 . . . . 0.0 114.068 -159.097 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . 0.257 3.2 m-85 61.55 -32.59 0.08 Allowed 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 117.781 2.511 . . . . 0.0 117.781 165.373 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.7 pttt -65.47 -37.93 88.28 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 119.591 1.087 . . . . 0.0 110.581 157.385 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -88.89 65.75 7.7 Favored 'General case' 0 CA--C 1.549 0.924 0 CA-C-O 125.522 2.582 . . . . 0.0 110.409 170.267 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.426 ' O ' ' HB2' ' A' ' 20' ' ' LYS . . . -59.93 -39.26 84.87 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 108.702 -3.863 . . . . 0.0 113.999 -175.85 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 29.8 ttm -67.23 -33.63 75.77 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.085 0.954 . . . . 0.0 112.441 176.049 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 45.0 mt -78.73 -49.07 13.71 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 123.429 0.692 . . . . 0.0 111.681 -178.583 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.06 -32.24 67.84 Favored 'General case' 0 CA--C 1.552 1.041 0 CA-C-N 119.496 1.044 . . . . 0.0 113.722 163.378 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.426 ' HB2' ' O ' ' A' ' 16' ' ' ALA . 0.3 OUTLIER -68.82 -27.15 65.59 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 122.244 2.293 . . . . 0.0 112.775 170.992 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 20.9 m -63.85 -36.25 83.3 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 121.367 1.894 . . . . 0.0 114.026 160.417 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . 0.272 0.1 OUTLIER -50.28 -47.29 55.43 Favored 'General case' 0 N--CA 1.483 1.182 0 CA-C-N 120.149 1.341 . . . . 0.0 111.707 161.892 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.263 3.5 m-30 -74.01 -29.45 61.96 Favored 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 113.828 1.047 . . . . 0.0 113.828 -177.051 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -59.0 -43.44 91.49 Favored 'General case' 0 N--CA 1.476 0.825 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 161.826 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.64 -38.74 90.41 Favored Glycine 0 CA--C 1.532 1.129 0 N-CA-C 115.103 0.801 . . . . 0.0 115.103 173.746 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.36 -36.28 83.17 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 118.259 1.029 . . . . 0.0 113.11 171.802 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -66.87 69.78 0.08 Allowed 'General case' 0 CA--C 1.558 1.276 0 CA-C-O 122.813 1.292 . . . . 0.0 113.335 169.873 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.3 mmm180 -111.83 117.58 33.19 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 119.654 -1.904 . . . . 0.0 112.162 165.033 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 16.9 p-10 -154.91 -40.98 0.09 Allowed 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 114.303 -1.317 . . . . 0.0 114.187 -168.611 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -64.27 -83.9 0.02 OUTLIER 'General case' 0 CA--C 1.552 1.045 0 N-CA-C 116.782 2.141 . . . . 0.0 116.782 -176.235 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -170.16 -39.71 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.075 1.35 . . . . 0.0 113.203 -171.334 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -69.32 152.8 44.55 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 115.751 1.76 . . . . 0.0 115.751 -174.663 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 82.0 p -76.17 142.02 41.69 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.805 174.171 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 17.6 p -64.77 -32.74 74.57 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 113.925 1.083 . . . . 0.0 113.925 -171.496 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -71.21 -29.15 64.8 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-O 117.082 -1.437 . . . . 0.0 114.715 175.544 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -72.2 -42.53 65.68 Favored 'General case' 0 CA--C 1.549 0.939 0 CA-C-N 122.827 2.558 . . . . 0.0 111.026 172.031 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.584 ' O ' HD12 ' A' ' 41' ' ' ILE . 42.8 ttt-85 -63.04 -46.51 87.19 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 114.361 -1.29 . . . . 0.0 110.976 173.933 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -84.19 0.73 47.59 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 116.859 2.17 . . . . 0.0 116.859 171.722 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.63 -27.87 64.39 Favored 'General case' 0 CA--C 1.544 0.739 0 O-C-N 119.372 -2.08 . . . . 0.0 112.649 149.297 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 49.0 mtt180 -76.23 -44.73 36.25 Favored 'General case' 0 CA--C 1.553 1.092 0 N-CA-C 113.801 1.038 . . . . 0.0 113.801 165.541 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.584 HD12 ' O ' ' A' ' 37' ' ' ARG 0.278 3.3 mp -65.37 89.09 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.55 0.953 0 CA-C-O 127.023 3.297 . . . . 0.0 113.505 168.928 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.2 mptt -83.38 -9.02 59.3 Favored 'General case' 0 CA--C 1.543 0.685 1 CA-C-N 107.209 -4.541 . . . . 0.0 116.218 -173.284 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 46.5 mm -58.44 -40.63 79.11 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.847 0 N-CA-C 115.341 1.608 . . . . 0.0 115.341 -158.08 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -176.95 159.86 26.62 Favored Glycine 0 CA--C 1.543 1.825 0 CA-C-O 117.897 -1.502 . . . . 0.0 115.328 174.216 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_exo -50.97 -46.32 31.4 Favored 'Trans proline' 0 C--N 1.361 1.198 0 C-N-CA 125.202 3.935 . . . . 0.0 115.534 175.657 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.23 -24.35 63.07 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 114.533 1.309 . . . . 0.0 114.533 173.263 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.78 -53.1 19.86 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-O 118.179 -0.915 . . . . 0.0 109.979 172.091 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -52.59 -40.76 34.87 Favored 'Isoleucine or valine' 0 C--N 1.351 0.638 0 N-CA-C 114.522 1.304 . . . . 0.0 114.522 167.952 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.53 -46.25 83.69 Favored 'General case' 0 CA--C 1.554 1.122 0 N-CA-C 115.087 1.514 . . . . 0.0 115.087 175.193 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.15 -47.76 80.37 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 120.296 1.407 . . . . 0.0 111.459 167.871 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.549 ' CE2' HD13 ' A' ' 41' ' ' ILE . 2.1 t80 -54.06 -54.39 40.0 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.935 1.294 . . . . 0.0 111.979 175.555 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.0 mmtt -63.43 -40.5 97.34 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 114.776 1.398 . . . . 0.0 114.776 179.143 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.431 ' O ' HD12 ' A' ' 57' ' ' ILE . 65.6 m-20 -56.42 -59.25 5.24 Favored 'General case' 0 C--N 1.352 0.69 0 CA-C-N 119.825 1.193 . . . . 0.0 112.405 170.855 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 19.4 m -60.75 -29.61 69.51 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 114.915 1.45 . . . . 0.0 114.915 175.566 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 43.6 t -57.51 -51.01 71.22 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 121.445 1.93 . . . . 0.0 113.245 165.637 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -63.44 -34.23 77.29 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-O 118.184 -0.912 . . . . 0.0 113.433 175.813 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.431 HD12 ' O ' ' A' ' 53' ' ' ASP . 1.8 mp -60.87 -52.49 61.01 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 CA-C-N 119.973 1.26 . . . . 0.0 113.364 163.684 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -52.49 -45.16 66.05 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 119.767 1.167 . . . . 0.0 114.092 177.196 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 24.3 m-80 -65.14 -42.83 93.44 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 113.644 0.979 . . . . 0.0 113.644 172.239 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -64.68 -43.09 94.66 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 173.978 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 78.3 t -62.12 -40.39 87.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 CA-C-N 119.748 1.158 . . . . 0.0 112.371 172.0 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 6.1 tpm_? -61.57 -35.64 78.36 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-N 119.604 1.093 . . . . 0.0 113.493 170.798 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.98 -37.0 67.19 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 114.048 1.129 . . . . 0.0 114.048 169.407 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 . . . . . 0 CA--C 1.546 0.806 0 CA-C-N 119.76 1.164 . . . . 0.0 113.678 171.486 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 5.3 mp . . . . . 0 N--CA 1.485 1.298 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -57.37 -37.02 71.99 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-O 117.371 -1.3 . . . . 0.0 112.618 174.281 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -70.77 -45.67 64.31 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 122.555 2.434 . . . . 0.0 114.761 172.578 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -73.33 -52.25 14.56 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 121.933 2.151 . . . . 0.0 113.022 177.483 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.24 5.09 2.36 Favored 'General case' 0 CA--C 1.556 1.185 0 N-CA-C 116.928 2.196 . . . . 0.0 116.928 165.381 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.63 -43.77 46.17 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 117.651 -3.156 . . . . 0.0 112.676 150.06 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 38.9 mtmm -76.65 60.81 1.72 Allowed 'General case' 0 CA--C 1.548 0.881 0 CA-C-O 122.852 1.311 . . . . 0.0 112.511 -173.653 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -61.08 -11.44 8.61 Favored 'General case' 0 CA--C 1.548 0.882 0 N-CA-C 115.403 1.631 . . . . 0.0 115.403 176.311 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.9 ttpt -64.73 -37.76 88.71 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 123.999 0.92 . . . . 0.0 111.49 162.717 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -88.48 68.01 8.69 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-O 124.72 2.2 . . . . 0.0 110.184 173.989 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.433 ' O ' ' HB2' ' A' ' 20' ' ' LYS . . . -56.58 -44.71 81.29 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 109.876 -3.329 . . . . 0.0 114.563 -170.463 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 60.9 mtp -67.75 -28.7 67.86 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 113.332 0.864 . . . . 0.0 113.332 176.669 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 70.5 mt -86.9 -42.85 12.87 Favored 'General case' 0 C--O 1.236 0.392 0 O-C-N 121.528 -0.732 . . . . 0.0 112.272 -174.884 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.0 -32.13 73.57 Favored 'General case' 0 CA--C 1.55 0.963 0 O-C-N 121.178 -0.951 . . . . 0.0 113.05 161.277 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.433 ' HB2' ' O ' ' A' ' 16' ' ' ALA . 0.7 OUTLIER -70.67 -24.18 62.64 Favored 'General case' 0 CA--C 1.549 0.909 0 CA-C-N 122.497 2.408 . . . . 0.0 112.328 171.202 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.7 t -65.95 -39.12 90.18 Favored 'General case' 0 CA--C 1.549 0.938 0 CA-C-N 119.482 1.037 . . . . 0.0 113.202 164.253 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -47.63 -53.17 15.54 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.101 0.56 . . . . 0.0 110.974 158.891 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.423 ' O ' ' HD2' ' A' ' 27' ' ' TYR 0.281 4.3 m-30 -72.75 -22.58 60.83 Favored 'General case' 0 CA--C 1.552 1.04 0 N-CA-C 114.266 1.209 . . . . 0.0 114.266 -175.975 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -58.35 -46.47 86.21 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 120.076 1.307 . . . . 0.0 112.975 158.085 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.46 -41.9 99.65 Favored Glycine 0 CA--C 1.533 1.199 0 N-CA-C 115.104 0.802 . . . . 0.0 115.104 172.475 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.44 -43.44 97.4 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 113.499 0.926 . . . . 0.0 113.499 174.044 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.423 ' HD2' ' O ' ' A' ' 23' ' ' TYR . 58.9 m-85 -72.57 72.24 1.0 Allowed 'General case' 0 CA--C 1.549 0.931 0 CA-C-O 123.267 1.508 . . . . 0.0 113.547 172.539 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 60.0 ttt-85 -95.31 122.88 38.48 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 114.709 -1.132 . . . . 0.0 110.167 166.953 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -86.4 -92.08 0.1 Allowed 'General case' 0 CA--C 1.545 0.772 0 CA-C-O 118.521 -0.752 . . . . 0.0 112.789 -166.251 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -79.91 -77.11 0.19 Allowed 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 120.708 1.594 . . . . 0.0 113.178 -176.361 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -162.87 37.97 0.1 Allowed 'General case' 0 CA--C 1.556 1.183 0 C-N-CA 124.424 1.09 . . . . 0.0 111.901 175.424 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 24.8 pm0 -72.26 159.52 33.93 Favored 'General case' 0 CA--C 1.55 0.959 0 O-C-N 120.527 -1.358 . . . . 0.0 114.334 173.511 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.461 ' O ' ' HG2' ' A' ' 36' ' ' GLU . 63.6 p -85.4 138.94 31.93 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 119.934 -1.729 . . . . 0.0 110.617 173.549 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 72.7 m -63.29 -40.72 98.17 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -179.752 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -76.0 -10.01 59.07 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 115.2 1.556 . . . . 0.0 115.2 -178.406 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.461 ' HG2' ' O ' ' A' ' 33' ' ' THR . 8.8 pt-20 -73.15 -46.98 47.78 Favored 'General case' 0 CA--C 1.551 0.99 0 CA-C-N 123.029 2.65 . . . . 0.0 110.743 163.26 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.569 ' O ' HD12 ' A' ' 41' ' ' ILE . 64.7 mtm180 -62.69 -50.12 72.42 Favored 'General case' 0 C--N 1.344 0.354 0 CA-C-N 114.572 -1.194 . . . . 0.0 110.428 173.809 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -90.41 15.73 10.11 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 115.577 1.695 . . . . 0.0 115.577 175.794 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.41 -54.82 19.95 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 119.523 -1.986 . . . . 0.0 110.383 136.348 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 48.7 tpt85 -64.89 -45.99 83.64 Favored 'General case' 0 CA--C 1.558 1.253 0 N-CA-C 115.167 1.543 . . . . 0.0 115.167 176.637 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.569 HD12 ' O ' ' A' ' 37' ' ' ARG . 3.2 mp -67.28 90.79 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.664 0 CA-C-O 126.575 3.083 . . . . 0.0 111.742 166.63 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.27 42.31 3.1 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-N 109.007 -3.724 . . . . 0.0 112.859 177.975 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 67.5 mt -73.68 -37.85 50.21 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.866 0 O-C-N 121.042 -1.036 . . . . 0.0 111.89 179.66 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -168.38 161.02 34.74 Favored Glycine 0 CA--C 1.547 2.057 0 CA-C-O 118.319 -1.267 . . . . 0.0 115.406 175.216 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_exo -53.51 -48.34 22.47 Favored 'Trans proline' 0 C--N 1.361 1.201 0 C-N-CA 124.954 3.769 . . . . 0.0 115.277 173.279 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.29 -32.57 72.41 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.951 0.901 . . . . 0.0 113.324 172.936 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 15.2 t -65.66 -60.26 3.09 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 117.457 -1.259 . . . . 0.0 109.932 175.262 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -51.26 -39.68 21.46 Favored 'Isoleucine or valine' 0 C--N 1.353 0.731 0 CA-C-N 120.466 1.485 . . . . 0.0 114.598 173.464 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.5 tptp -66.9 -50.2 63.19 Favored 'General case' 0 CA--C 1.553 1.07 0 CA-C-O 117.215 -1.374 . . . . 0.0 114.556 174.963 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.31 -47.86 65.71 Favored 'General case' 0 N--CA 1.482 1.137 0 CA-C-N 120.789 1.631 . . . . 0.0 111.058 168.503 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.504 ' CE2' HD13 ' A' ' 41' ' ' ILE . 2.7 t80 -54.28 -54.83 34.9 Favored 'General case' 0 C--N 1.35 0.62 0 C-N-CA 125.304 1.441 . . . . 0.0 112.152 176.525 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 52.9 tptt -65.46 -34.86 79.28 Favored 'General case' 0 CA--C 1.552 1.036 0 N-CA-C 113.664 0.987 . . . . 0.0 113.664 179.72 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -64.75 -50.37 67.11 Favored 'General case' 0 CA--C 1.551 0.999 0 O-C-N 120.452 -1.405 . . . . 0.0 113.188 173.203 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 9.8 m -63.29 -27.55 69.41 Favored 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 114.562 1.319 . . . . 0.0 114.562 170.106 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 47.4 t -59.79 -42.28 93.03 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 120.323 1.42 . . . . 0.0 113.014 163.892 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -59.05 -37.28 76.62 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-O 117.938 -1.03 . . . . 0.0 113.486 167.527 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 25.4 mm -59.13 -51.96 66.37 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.312 0 CA-C-N 121.268 1.849 . . . . 0.0 113.806 164.492 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.02 -40.15 66.77 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 176.414 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -67.78 -42.04 82.28 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 114.443 1.275 . . . . 0.0 114.443 169.905 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -60.29 -46.21 90.65 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 120.404 1.456 . . . . 0.0 112.857 170.298 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 91.3 t -61.86 -38.27 80.17 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.856 0 CA-C-N 119.421 1.01 . . . . 0.0 112.804 173.487 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 4.4 tpp180 -61.75 -39.89 93.2 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 113.236 0.828 . . . . 0.0 113.236 172.279 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.75 -49.46 20.89 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 113.851 1.056 . . . . 0.0 113.851 172.48 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 . . . . . 0 CA--C 1.551 1.019 0 CA-C-O 122.985 1.374 . . . . 0.0 113.921 -177.233 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.0 mp . . . . . 0 N--CA 1.482 1.136 0 CA-C-O 118.163 -0.922 . . . . 0.0 109.666 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -56.13 -57.66 11.22 Favored 'General case' 0 C--N 1.35 0.602 0 CA-C-O 115.706 -2.093 . . . . 0.0 112.297 176.101 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.423 ' O ' ' HG3' ' A' ' 12' ' ' LYS 0.356 1.4 pp20? -69.73 -14.93 63.04 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 124.676 3.398 . . . . 0.0 115.077 -179.548 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.08 -61.95 1.63 Allowed 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 125.355 3.707 . . . . 0.0 113.419 163.039 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.3 -2.08 4.05 Favored 'General case' 0 CA--C 1.555 1.163 0 N-CA-C 117.384 2.364 . . . . 0.0 117.384 175.218 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -84.12 -28.51 27.42 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 124.053 3.115 . . . . 0.0 114.781 156.612 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.423 ' HG3' ' O ' ' A' ' 8' ' ' GLU . 42.4 mttp -68.69 -51.11 45.3 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 120.168 1.349 . . . . 0.0 112.886 -176.601 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 63.13 -31.77 0.1 Allowed 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 126.536 1.934 . . . . 0.0 116.174 -177.755 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.8 mttp -61.33 -37.53 83.63 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 126.64 1.976 . . . . 0.0 112.367 168.59 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 6.7 m-30 -76.49 65.34 2.33 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-O 123.877 1.799 . . . . 0.0 111.176 165.343 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.53 -47.09 82.94 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 111.623 -2.535 . . . . 0.0 116.074 -166.479 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 47.8 mtm -69.89 -33.35 72.1 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.407 1.083 . . . . 0.0 113.394 177.747 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 24.5 mt -77.68 -45.48 24.78 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-O 121.418 0.627 . . . . 0.0 111.439 -177.006 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.49 -38.09 76.89 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 163.597 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.2 ttpp -62.39 -39.76 94.27 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 121.016 1.735 . . . . 0.0 111.151 169.823 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 12.7 m -54.25 -41.64 69.0 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 122.693 2.497 . . . . 0.0 114.116 167.408 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -48.62 -53.96 16.48 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 118.892 0.769 . . . . 0.0 111.69 164.792 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.259 7.4 m-30 -74.11 -25.38 59.75 Favored 'General case' 0 CA--C 1.55 0.974 0 N-CA-C 114.412 1.264 . . . . 0.0 114.412 -175.117 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -61.93 -36.72 82.23 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.251 1.02 . . . . 0.0 113.319 161.858 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.4 -44.38 65.24 Favored Glycine 0 CA--C 1.534 1.244 0 CA-C-O 119.305 -0.72 . . . . 0.0 114.714 168.435 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.33 -33.39 75.43 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 114.394 1.257 . . . . 0.0 114.394 176.375 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -82.04 61.79 5.49 Favored 'General case' 0 CA--C 1.551 0.988 0 O-C-N 120.595 -1.315 . . . . 0.0 113.455 167.83 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 58.6 ttt180 -94.01 145.51 24.61 Favored 'General case' 0 CA--C 1.549 0.922 0 O-C-N 121.37 -0.831 . . . . 0.0 111.923 170.095 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -98.2 151.39 20.48 Favored 'General case' 0 CA--C 1.545 0.781 0 O-C-N 121.368 -0.833 . . . . 0.0 110.828 177.565 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -68.91 44.14 0.04 OUTLIER 'General case' 0 CA--C 1.556 1.201 0 N-CA-C 115.869 1.804 . . . . 0.0 115.869 -176.988 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -154.54 -68.42 0.13 Allowed 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.102 1.361 . . . . 0.0 112.592 -174.148 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -66.79 151.72 46.93 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 116.055 1.872 . . . . 0.0 116.055 174.524 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 71.4 p -94.42 137.95 32.95 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 114.28 -1.327 . . . . 0.0 110.038 170.543 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.1 p -60.12 -27.36 66.98 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 114.439 1.274 . . . . 0.0 114.439 -176.777 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 56.6 mp0 -65.4 -25.1 67.4 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.544 1.137 . . . . 0.0 113.886 176.954 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -66.76 -55.84 13.19 Favored 'General case' 0 CA--C 1.547 0.849 0 CA-C-N 121.094 1.77 . . . . 0.0 111.011 173.192 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.61 ' O ' HD12 ' A' ' 41' ' ' ILE . 45.6 mtm180 -58.14 -49.19 77.83 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 113.05 -1.887 . . . . 0.0 111.658 172.976 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -84.28 2.33 40.61 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 116.429 2.011 . . . . 0.0 116.429 178.011 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.97 -33.21 71.78 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 119.677 -1.89 . . . . 0.0 112.305 147.603 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 81.3 mtp180 -78.91 -43.27 25.15 Favored 'General case' 0 CA--C 1.555 1.168 0 N-CA-C 115.54 1.681 . . . . 0.0 115.54 167.085 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.61 HD12 ' O ' ' A' ' 37' ' ' ARG 0.296 3.3 mp -63.99 90.22 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.549 0.94 0 CA-C-O 126.836 3.208 . . . . 0.0 114.298 171.136 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -98.71 13.29 32.75 Favored 'General case' 0 CA--C 1.546 0.825 1 CA-C-N 107.327 -4.488 . . . . 0.0 115.758 -177.002 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 47.8 mm -64.82 -37.28 79.76 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.918 0 O-C-N 120.899 -1.125 . . . . 0.0 113.815 -170.312 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -176.08 160.03 27.72 Favored Glycine 0 CA--C 1.544 1.887 0 CA-C-O 117.912 -1.494 . . . . 0.0 114.845 173.056 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_exo -52.59 -49.49 17.31 Favored 'Trans proline' 0 C--N 1.36 1.181 0 C-N-CA 124.889 3.726 . . . . 0.0 115.528 175.662 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 23.8 tttm -73.43 -18.67 61.11 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 123.32 0.648 . . . . 0.0 112.588 178.088 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.66 -55.95 8.6 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.141 0.976 . . . . 0.0 109.915 168.936 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -52.32 -39.56 28.49 Favored 'Isoleucine or valine' 0 C--N 1.353 0.733 0 N-CA-C 114.726 1.38 . . . . 0.0 114.726 170.487 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -63.43 -51.08 67.23 Favored 'General case' 0 CA--C 1.551 1.0 0 N-CA-C 114.497 1.295 . . . . 0.0 114.497 171.816 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.17 -47.75 62.09 Favored 'General case' 0 N--CA 1.483 1.182 0 CA-C-N 121.578 1.99 . . . . 0.0 110.684 169.307 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.574 ' CE2' HD13 ' A' ' 41' ' ' ILE . 2.2 t80 -54.85 -57.58 11.02 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.281 1.432 . . . . 0.0 112.732 175.687 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 47.8 tptt -65.58 -36.78 84.76 Favored 'General case' 0 CA--C 1.55 0.959 0 N-CA-C 114.064 1.135 . . . . 0.0 114.064 -178.045 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -71.45 -42.49 68.11 Favored 'General case' 0 CA--C 1.549 0.904 0 O-C-N 120.046 -1.659 . . . . 0.0 113.711 175.507 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 2.2 m -61.34 -32.64 72.53 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 113.968 1.099 . . . . 0.0 113.968 165.549 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 47.7 t -59.89 -41.54 91.83 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 120.463 1.483 . . . . 0.0 113.674 166.586 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -54.06 -48.72 70.31 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 119.685 1.13 . . . . 0.0 112.614 167.117 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 24.6 mm -58.55 -47.5 88.27 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 N-CA-C 113.3 0.852 . . . . 0.0 113.3 172.752 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.05 -49.78 68.22 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 123.822 0.849 . . . . 0.0 113.24 173.649 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.03 -36.18 83.53 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 113.083 0.772 . . . . 0.0 113.083 176.25 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -66.53 -40.91 89.37 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 119.827 1.194 . . . . 0.0 113.491 171.097 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 92.5 t -64.58 -53.25 44.75 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.726 0 CA-C-N 119.212 0.914 . . . . 0.0 112.194 171.82 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? -65.61 -16.99 64.26 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 114.998 1.481 . . . . 0.0 114.998 -177.764 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.83 -28.9 67.15 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 113.937 1.088 . . . . 0.0 113.937 166.451 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 . . . . . 0 CA--C 1.545 0.773 0 N-CA-C 114.182 1.179 . . . . 0.0 114.182 178.341 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 5.3 mp . . . . . 0 N--CA 1.484 1.242 0 CA-C-O 119.739 -0.172 . . . . 0.0 110.538 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -57.27 -48.65 78.34 Favored 'General case' 0 C--N 1.344 0.348 0 CA-C-O 114.989 -2.434 . . . . 0.0 112.742 178.772 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -83.51 -24.99 31.45 Favored 'General case' 0 CA--C 1.549 0.924 0 CA-C-N 125.976 3.989 . . . . 0.0 115.451 175.679 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -73.99 -32.73 63.54 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 122.508 2.413 . . . . 0.0 112.685 175.447 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.71 -87.74 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.863 0 CA-C-O 116.966 -1.492 . . . . 0.0 114.809 147.59 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.51 -20.65 8.16 Favored 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 119.296 3.073 . . . . 0.0 119.296 -149.874 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.3 ttmt -69.82 -28.02 65.36 Favored 'General case' 0 CA--C 1.55 0.959 0 CA-C-N 119.076 0.853 . . . . 0.0 111.754 173.627 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 22.2 m-30 54.96 1.26 0.04 OUTLIER 'General case' 0 CA--C 1.551 0.983 0 N-CA-C 118.89 2.922 . . . . 0.0 118.89 171.305 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 31.3 mmtm -65.02 -48.45 73.86 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 120.76 1.618 . . . . 0.0 111.569 176.026 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -81.6 62.44 5.45 Favored 'General case' 0 CA--C 1.553 1.068 0 CA-C-O 123.246 1.498 . . . . 0.0 112.203 167.516 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.4 -40.89 83.62 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 115.748 1.758 . . . . 0.0 115.748 -174.176 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -68.62 -26.13 65.2 Favored 'General case' 0 CA--C 1.546 0.827 0 N-CA-C 113.391 0.886 . . . . 0.0 113.391 175.117 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 59.5 mt -86.65 -38.45 17.03 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 121.434 -0.792 . . . . 0.0 111.628 179.763 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.6 tmtt? -52.86 -44.2 66.65 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 114.42 1.267 . . . . 0.0 114.42 154.935 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -66.74 -25.2 66.39 Favored 'General case' 0 CA--C 1.557 1.226 0 O-C-N 119.695 -1.878 . . . . 0.0 112.139 173.418 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 7.2 t -68.43 -38.55 81.29 Favored 'General case' 0 CA--C 1.553 1.094 0 O-C-N 120.49 -1.382 . . . . 0.0 113.979 165.183 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.2 t -47.0 -51.13 17.92 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 119.122 0.873 . . . . 0.0 110.519 159.279 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.314 6.7 m-30 -74.42 -21.37 59.66 Favored 'General case' 0 CA--C 1.551 0.998 0 N-CA-C 114.611 1.337 . . . . 0.0 114.611 -176.351 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -58.3 -45.32 88.21 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 119.901 1.228 . . . . 0.0 113.237 155.734 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.59 -45.99 95.27 Favored Glycine 0 CA--C 1.533 1.206 0 N-CA-C 114.747 0.659 . . . . 0.0 114.747 171.478 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.06 -39.92 91.68 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 175.06 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 36.4 m-85 -69.89 75.2 0.46 Allowed 'General case' 0 CA--C 1.549 0.914 0 CA-C-O 122.991 1.377 . . . . 0.0 113.472 168.828 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 67.6 ttt-85 -99.96 116.97 33.24 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-O 121.998 0.904 . . . . 0.0 109.72 165.973 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -105.27 -76.57 0.6 Allowed 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.287 -157.634 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -72.45 -82.52 0.05 OUTLIER 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 124.25 1.02 . . . . 0.0 112.432 176.954 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -165.63 63.44 0.11 Allowed 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 125.704 1.602 . . . . 0.0 108.656 162.122 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -67.88 138.39 56.0 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 115.028 1.492 . . . . 0.0 115.028 -178.067 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.5 p -77.33 114.43 16.14 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-O 122.021 0.915 . . . . 0.0 111.257 170.282 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 93.7 m -56.77 -49.51 75.06 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 114.437 1.273 . . . . 0.0 114.437 -166.744 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.07 -30.47 67.72 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 114.299 1.222 . . . . 0.0 114.299 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -71.68 -46.63 58.26 Favored 'General case' 0 C--O 1.243 0.754 0 CA-C-N 121.456 1.935 . . . . 0.0 111.965 172.748 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.576 ' O ' HD12 ' A' ' 41' ' ' ILE . 27.3 ttp180 -57.81 -51.73 68.4 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 114.825 -1.079 . . . . 0.0 110.822 172.105 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -82.75 -0.98 50.17 Favored 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 116.985 2.217 . . . . 0.0 116.985 176.26 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.61 -38.04 86.13 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 119.402 -2.061 . . . . 0.0 112.166 150.942 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 56.3 mtt85 -71.66 -37.56 70.79 Favored 'General case' 0 CA--C 1.551 1.018 0 N-CA-C 114.39 1.256 . . . . 0.0 114.39 169.932 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.585 HD13 ' CE2' ' A' ' 51' ' ' PHE 0.308 3.4 mp -72.55 84.37 0.4 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.951 0 CA-C-O 127.119 3.342 . . . . 0.0 113.4 167.626 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 29.7 mmtm -91.34 7.38 41.25 Favored 'General case' 0 CA--C 1.544 0.748 1 CA-C-N 107.152 -4.567 . . . . 0.0 116.288 -175.466 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 46.8 mm -66.05 -35.65 75.56 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.893 0 N-CA-C 113.992 1.108 . . . . 0.0 113.992 -168.146 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -173.81 156.53 24.02 Favored Glycine 0 CA--C 1.546 1.993 0 CA-C-O 117.738 -1.59 . . . . 0.0 115.16 173.476 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_exo -52.36 -46.92 29.73 Favored 'Trans proline' 0 C--N 1.361 1.2 0 C-N-CA 124.933 3.755 . . . . 0.0 115.671 174.929 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 49.9 tttm -71.42 -25.57 62.39 Favored 'General case' 0 CA--C 1.551 0.984 0 N-CA-C 112.813 0.672 . . . . 0.0 112.813 177.042 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 17.8 t -64.7 -59.0 4.75 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-O 117.425 -1.274 . . . . 0.0 109.384 169.846 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -49.02 -41.77 13.89 Favored 'Isoleucine or valine' 0 C--N 1.354 0.799 0 CA-C-N 120.21 1.368 . . . . 0.0 114.477 171.351 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -61.99 -54.42 41.91 Favored 'General case' 0 CA--C 1.558 1.277 0 N-CA-C 115.442 1.645 . . . . 0.0 115.442 174.979 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.08 -47.62 68.38 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 124.719 1.207 . . . . 0.0 110.555 169.096 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.585 ' CE2' HD13 ' A' ' 41' ' ' ILE . 2.8 t80 -54.31 -54.93 33.72 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.264 1.426 . . . . 0.0 112.559 175.396 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 59.3 tttm -56.74 -46.9 81.09 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.504 1.522 . . . . 0.0 112.972 -179.462 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -66.46 -47.26 73.66 Favored 'General case' 0 CA--C 1.552 1.044 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 178.667 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.8 m -61.08 -34.49 75.0 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 114.624 1.342 . . . . 0.0 114.624 169.353 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -65.72 -33.54 76.12 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 120.506 1.503 . . . . 0.0 112.748 172.607 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -58.81 -48.84 79.9 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 119.278 0.944 . . . . 0.0 112.4 163.862 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 23.2 mm -60.05 -41.23 85.66 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 N-CA-C 114.097 1.147 . . . . 0.0 114.097 174.478 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.23 -50.26 69.9 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.544 0.738 . . . . 0.0 112.824 171.63 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -61.88 -40.52 95.7 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 171.566 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -60.76 -52.6 64.4 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-O 117.205 -1.379 . . . . 0.0 114.063 172.233 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 34.0 m -66.61 -29.7 47.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 CA-C-N 121.825 2.102 . . . . 0.0 114.129 179.558 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 52.1 mtp85 -69.29 -34.37 74.6 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 114.032 1.123 . . . . 0.0 114.032 168.384 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -81.43 -51.38 8.37 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 119.84 1.2 . . . . 0.0 113.893 172.139 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 . . . . . 0 CA--C 1.55 0.957 0 CA-C-O 123.205 1.478 . . . . 0.0 112.37 -177.081 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.7 mp . . . . . 0 N--CA 1.481 1.125 0 CA-C-O 118.73 -0.652 . . . . 0.0 110.448 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.72 -31.38 66.36 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-O 116.986 -1.483 . . . . 0.0 113.679 -175.486 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -85.12 -43.75 13.59 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-N 123.416 2.826 . . . . 0.0 114.981 167.938 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 47.0 mm-40 -89.24 14.03 11.94 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 123.861 3.028 . . . . 0.0 113.988 178.143 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.427 ' O ' ' HD1' ' A' ' 13' ' ' TYR . . . -86.54 -71.84 0.53 Allowed 'General case' 0 CA--C 1.549 0.914 0 O-C-N 118.846 -2.409 . . . . 0.0 116.538 124.633 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.44 -14.36 40.06 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 119.115 3.006 . . . . 0.0 119.115 -157.963 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 68.3 mttt -64.6 -39.44 93.72 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 121.985 2.175 . . . . 0.0 112.733 168.844 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.427 ' HD1' ' O ' ' A' ' 10' ' ' ALA . 0.2 OUTLIER 44.5 24.04 0.09 Allowed 'General case' 0 CA--C 1.553 1.058 0 N-CA-C 118.579 2.807 . . . . 0.0 118.579 178.999 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 31.8 mmtm -78.01 -56.13 4.74 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.317 1.047 . . . . 0.0 111.15 172.026 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.449 ' O ' ' HD3' ' A' ' 19' ' ' LYS . 47.6 m-85 -85.53 70.86 10.8 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-O 124.418 2.056 . . . . 0.0 110.251 170.05 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.29 -36.1 65.8 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 110.723 -2.944 . . . . 0.0 114.539 -171.763 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 35.9 ttm -64.34 -32.94 74.75 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 124.568 1.147 . . . . 0.0 113.283 174.279 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 69.7 mt -86.82 -36.46 18.5 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 120.897 -1.127 . . . . 0.0 112.263 -177.622 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.449 ' HD3' ' O ' ' A' ' 15' ' ' TYR . 10.2 mptt -59.72 -38.61 82.16 Favored 'General case' 0 CA--C 1.563 1.479 0 N-CA-C 113.361 0.875 . . . . 0.0 113.361 159.608 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.91 -30.69 70.08 Favored 'General case' 0 CA--C 1.555 1.138 0 O-C-N 118.815 -2.428 . . . . 0.0 111.684 167.456 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.435 ' O ' ' HD1' ' A' ' 51' ' ' PHE . 10.2 t -58.33 -39.56 79.76 Favored 'General case' 0 CA--C 1.553 1.092 0 CA-C-N 121.792 2.087 . . . . 0.0 112.561 164.823 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -46.6 -57.03 5.16 Favored 'General case' 0 N--CA 1.485 1.281 0 CA-C-N 120.029 1.286 . . . . 0.0 110.834 159.062 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.311 9.8 m-30 -69.97 -25.21 63.51 Favored 'General case' 0 CA--C 1.555 1.149 0 N-CA-C 115.698 1.74 . . . . 0.0 115.698 -174.577 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -65.57 -28.05 68.87 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 114.983 1.475 . . . . 0.0 114.983 160.799 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -78.09 -32.38 44.32 Favored Glycine 0 CA--C 1.534 1.266 0 CA-C-N 119.043 0.838 . . . . 0.0 114.559 167.267 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.68 -50.03 54.25 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 118.512 1.156 . . . . 0.0 113.884 174.554 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -78.52 59.36 2.4 Favored 'General case' 0 CA--C 1.553 1.069 0 CA-C-N 120.06 1.3 . . . . 0.0 114.022 -179.34 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 21.9 mmt180 -114.32 113.39 24.51 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 114.811 1.412 . . . . 0.0 114.811 -177.181 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -66.88 152.14 46.22 Favored 'General case' 0 CA--C 1.551 1.005 0 N-CA-C 115.854 1.798 . . . . 0.0 115.854 179.156 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -57.01 -23.77 48.73 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 118.194 2.665 . . . . 0.0 118.194 -160.811 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -69.27 -30.94 69.16 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 175.556 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -74.81 114.75 13.61 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 179.034 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.3 p -80.58 99.01 7.89 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-O 123.418 1.58 . . . . 0.0 109.109 168.872 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -64.13 -46.66 83.13 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 112.557 -2.111 . . . . 0.0 113.973 -157.532 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.9 pm0 -69.09 -29.76 67.92 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 113.985 1.106 . . . . 0.0 113.985 -178.961 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.4 mp0 -64.41 -53.27 51.06 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-O 122.696 1.236 . . . . 0.0 111.81 172.687 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.56 ' O ' HG13 ' A' ' 41' ' ' ILE . 52.1 mtt85 -62.02 -48.1 81.81 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 113.759 -1.564 . . . . 0.0 111.511 173.561 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.46 -5.69 46.33 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 122.557 2.435 . . . . 0.0 117.071 175.175 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.29 -41.04 86.1 Favored 'General case' 0 CA--C 1.546 0.818 0 O-C-N 119.597 -1.939 . . . . 0.0 112.236 151.887 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 -77.07 -17.5 58.7 Favored 'General case' 0 CA--C 1.556 1.183 0 N-CA-C 115.85 1.796 . . . . 0.0 115.85 172.011 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.56 HG13 ' O ' ' A' ' 37' ' ' ARG 0.32 62.5 mt -79.17 74.9 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 CA-C-O 126.871 3.224 . . . . 0.0 113.283 -179.858 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -95.96 37.87 1.21 Allowed 'General case' 0 CA--C 1.548 0.878 0 CA-C-N 109.308 -3.587 . . . . 0.0 114.053 -175.016 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 95.4 mt -74.53 -49.86 29.13 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.781 0 O-C-N 121.459 -0.776 . . . . 0.0 112.612 179.301 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -156.66 138.4 5.92 Favored Glycine 0 CA--C 1.544 1.874 0 CA-C-O 115.917 -2.602 . . . . 0.0 113.539 -179.825 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -50.55 -53.26 7.42 Favored 'Trans proline' 0 C--N 1.361 1.233 0 CA-C-N 124.184 3.992 . . . . 0.0 117.03 -178.209 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 39.5 mttm -63.13 -33.67 75.95 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 113.812 1.041 . . . . 0.0 113.812 172.8 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 3.6 t -64.26 -63.3 1.18 Allowed 'General case' 0 C--N 1.348 0.51 0 CA-C-O 115.461 -2.209 . . . . 0.0 108.064 176.122 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -49.23 -44.9 17.55 Favored 'Isoleucine or valine' 0 C--N 1.357 0.92 0 CA-C-N 122.359 2.345 . . . . 0.0 115.164 172.449 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -55.3 -61.78 2.11 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-N 121.284 1.856 . . . . 0.0 113.153 175.42 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.21 -51.05 63.39 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 123.946 0.898 . . . . 0.0 111.193 175.309 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.435 ' HD1' ' O ' ' A' ' 21' ' ' CYS . 62.5 t80 -58.89 -50.6 73.41 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 114.844 1.424 . . . . 0.0 114.844 178.555 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 20.1 pttp -66.26 -35.86 81.5 Favored 'General case' 0 CA--C 1.551 0.984 0 CA-C-N 119.958 1.253 . . . . 0.0 111.476 -178.929 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 48.4 m-20 -71.45 -40.77 70.13 Favored 'General case' 0 CA--C 1.547 0.864 0 O-C-N 121.463 -0.773 . . . . 0.0 111.666 178.679 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 4.6 m -63.71 -31.15 72.23 Favored 'General case' 0 CA--C 1.553 1.089 0 N-CA-C 114.82 1.415 . . . . 0.0 114.82 164.861 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 3.2 m -56.71 -41.27 77.14 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 122.098 2.227 . . . . 0.0 113.767 162.279 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -56.75 -44.97 82.26 Favored 'General case' 0 CA--C 1.549 0.922 0 CA-C-O 117.88 -1.057 . . . . 0.0 112.438 167.01 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 30.6 mm -56.86 -48.34 81.47 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 CA-C-N 120.757 1.617 . . . . 0.0 113.921 167.997 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.3 -48.67 71.04 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 173.442 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -65.85 -35.79 81.65 Favored 'General case' 0 CA--C 1.549 0.923 0 N-CA-C 113.714 1.005 . . . . 0.0 113.714 173.724 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -60.1 -46.38 89.8 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 119.481 1.037 . . . . 0.0 112.244 169.354 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 87.9 t -62.6 -39.25 83.9 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.858 0 CA-C-N 119.14 0.882 . . . . 0.0 112.913 172.878 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -60.23 -40.4 90.07 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 119.842 1.201 . . . . 0.0 113.543 170.834 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.4 -52.24 11.22 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 173.679 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 . . . . . 0 CA--C 1.552 1.02 0 CA-C-O 123.751 1.739 . . . . 0.0 112.56 -176.102 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.3 mp . . . . . 0 N--CA 1.484 1.248 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.49 -51.85 68.13 Favored 'General case' 0 C--O 1.218 -0.572 0 CA-C-O 115.23 -2.319 . . . . 0.0 112.823 173.556 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -60.03 -37.94 81.25 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 125.888 3.949 . . . . 0.0 115.473 178.465 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -77.92 -55.48 5.27 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 122.239 2.291 . . . . 0.0 113.49 172.841 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.83 1.46 6.97 Favored 'General case' 0 CA--C 1.556 1.196 0 N-CA-C 118.212 2.671 . . . . 0.0 118.212 171.394 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.54 -46.19 13.69 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 124.689 3.404 . . . . 0.0 114.67 158.884 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.9 mtmp? -62.46 -43.54 98.57 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 114.937 1.458 . . . . 0.0 114.937 -171.75 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 64.6 -20.88 0.07 Allowed 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 116.874 2.175 . . . . 0.0 116.874 175.739 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -61.37 -39.68 91.54 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 120.891 1.678 . . . . 0.0 111.537 166.594 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -80.18 61.0 3.86 Favored 'General case' 0 CA--C 1.549 0.928 0 CA-C-O 123.225 1.488 . . . . 0.0 111.108 167.665 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.72 -45.17 95.28 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 113.304 -1.771 . . . . 0.0 114.702 -172.617 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 11.3 tpt -66.19 -30.02 70.4 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.015 0.926 . . . . 0.0 112.537 175.394 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 53.6 mt -84.62 -39.72 18.33 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.309 -0.869 . . . . 0.0 111.863 -177.243 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.4 tmtt? -60.08 -39.11 84.97 Favored 'General case' 0 CA--C 1.552 1.029 0 O-C-N 121.106 -0.996 . . . . 0.0 113.609 159.259 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -67.19 -28.15 67.86 Favored 'General case' 0 CA--C 1.552 1.038 0 O-C-N 119.29 -2.131 . . . . 0.0 111.856 170.431 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.7 t -64.04 -38.15 90.02 Favored 'General case' 0 CA--C 1.551 0.989 0 O-C-N 120.257 -1.527 . . . . 0.0 113.692 166.011 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -48.54 -54.69 13.45 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-N 118.982 0.81 . . . . 0.0 110.987 159.601 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.415 ' O ' ' HD2' ' A' ' 27' ' ' TYR 0.281 6.8 m-30 -73.44 -23.43 60.11 Favored 'General case' 0 CA--C 1.552 1.023 0 N-CA-C 114.343 1.238 . . . . 0.0 114.343 -174.601 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -58.35 -48.31 80.97 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.702 1.201 . . . . 0.0 111.422 159.687 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.81 -37.3 94.62 Favored Glycine 0 CA--C 1.534 1.234 0 N-CA-C 115.339 0.896 . . . . 0.0 115.339 171.737 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.59 -41.07 93.95 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 118.468 1.134 . . . . 0.0 112.975 170.228 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.415 ' HD2' ' O ' ' A' ' 23' ' ' TYR . 59.6 m-85 -72.65 72.45 1.03 Allowed 'General case' 0 CA--C 1.552 1.035 0 CA-C-O 123.348 1.547 . . . . 0.0 113.582 168.46 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.8 tpt85 -70.89 109.55 5.11 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 124.207 1.003 . . . . 0.0 111.077 168.791 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 12.4 p30 -136.29 -115.77 0.17 Allowed 'General case' 0 CA--C 1.551 0.999 0 O-C-N 120.212 -1.555 . . . . 0.0 113.884 -169.724 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -76.67 55.46 1.05 Allowed 'General case' 0 CA--C 1.549 0.923 0 CA-C-N 121.665 2.03 . . . . 0.0 113.195 -175.765 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -139.93 149.11 42.93 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.083 0.953 . . . . 0.0 113.343 -176.121 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -73.74 -57.66 3.83 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 122.883 0.473 . . . . 0.0 110.453 173.238 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 12.4 t -143.79 165.05 28.75 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-O 122.023 0.916 . . . . 0.0 113.215 179.973 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 75.1 m -58.41 -54.65 44.63 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.767 1.627 . . . . 0.0 114.292 -169.932 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -75.05 -6.63 50.48 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 114.11 1.152 . . . . 0.0 114.11 -178.058 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -78.59 -54.51 6.06 Favored 'General case' 0 CA--C 1.546 0.815 0 O-C-N 120.85 -1.156 . . . . 0.0 110.572 168.068 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.578 ' O ' HD12 ' A' ' 41' ' ' ILE . 18.5 ttp180 -64.64 -40.44 95.47 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-O 118.84 -0.6 . . . . 0.0 110.796 172.831 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . 0.268 . . -87.51 10.08 18.88 Favored 'General case' 0 CA--C 1.551 0.993 0 N-CA-C 116.568 2.062 . . . . 0.0 116.568 170.87 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.57 -39.09 74.12 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 119.162 -2.211 . . . . 0.0 111.883 142.871 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 63.9 mtt85 -70.16 -44.18 69.33 Favored 'General case' 0 CA--C 1.552 1.056 0 N-CA-C 114.087 1.143 . . . . 0.0 114.087 169.738 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.578 HD12 ' O ' ' A' ' 37' ' ' ARG 0.28 3.3 mp -68.75 86.48 0.16 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.959 0 CA-C-O 126.902 3.239 . . . . 0.0 113.268 167.417 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 29.2 mmtm -92.6 2.41 56.72 Favored 'General case' 0 CA--C 1.545 0.757 1 CA-C-N 107.218 -4.537 . . . . 0.0 116.528 -175.7 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 72.7 mt -64.07 -35.39 73.49 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.963 0 N-CA-C 114.58 1.326 . . . . 0.0 114.58 -163.671 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -177.48 168.67 40.44 Favored Glycine 0 CA--C 1.545 1.938 0 CA-C-N 120.609 1.55 . . . . 0.0 116.491 173.664 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -63.12 -45.97 11.27 Favored 'Trans proline' 0 C--N 1.359 1.1 0 C-N-CA 124.332 3.355 . . . . 0.0 115.414 179.904 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 52.4 mttt -64.2 -27.98 69.43 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 113.604 0.964 . . . . 0.0 113.604 169.654 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 8.6 t -65.22 -60.69 2.72 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-O 117.068 -1.444 . . . . 0.0 109.073 173.437 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -50.58 -41.18 20.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 CA-C-N 120.744 1.611 . . . . 0.0 115.193 171.904 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.27 -56.51 19.67 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 113.813 1.042 . . . . 0.0 113.813 173.924 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.27 -48.15 65.44 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 124.84 1.256 . . . . 0.0 110.743 171.866 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.531 ' CE2' HD13 ' A' ' 41' ' ' ILE . 3.9 t80 -54.48 -59.54 4.56 Favored 'General case' 0 C--N 1.351 0.668 0 C-N-CA 125.223 1.409 . . . . 0.0 112.042 175.776 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 20.7 mmmt -59.98 -39.92 87.38 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 114.165 1.172 . . . . 0.0 114.165 -178.664 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -68.04 -48.95 64.23 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 119.44 1.018 . . . . 0.0 113.054 177.546 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 2.4 m -60.26 -35.76 76.26 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 113.882 1.067 . . . . 0.0 113.882 169.429 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 5.1 t -66.03 -37.22 85.33 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 119.845 1.202 . . . . 0.0 113.356 173.692 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -61.12 -41.33 96.51 Favored 'General case' 0 CA--C 1.541 0.596 0 CA-C-N 120.035 1.288 . . . . 0.0 113.038 165.967 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 21.7 mm -61.22 -42.91 95.24 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.182 0 CA-C-N 120.529 1.513 . . . . 0.0 113.275 170.274 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.31 -48.75 76.07 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 123.929 0.892 . . . . 0.0 113.402 172.515 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 48.4 m-80 -66.79 -33.86 76.56 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 114.187 1.18 . . . . 0.0 114.187 172.684 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -62.21 -51.7 66.74 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 119.07 0.85 . . . . 0.0 112.371 170.778 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 4.5 p -67.78 -30.9 50.03 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.925 0 CA-C-N 119.767 1.167 . . . . 0.0 113.227 177.377 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 -58.08 -37.63 74.86 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.48 1.112 . . . . 0.0 112.84 170.144 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.14 -47.45 28.47 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 113.283 0.846 . . . . 0.0 113.283 169.985 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 . . . . . 0 CA--C 1.543 0.708 0 N-CA-C 114.836 1.421 . . . . 0.0 114.836 179.257 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 13.0 mt . . . . . 0 N--CA 1.478 0.926 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.463 ' O ' ' HB2' ' A' ' 11' ' ' ALA . 33.4 tt0 -61.57 -23.33 65.91 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-O 117.389 -1.291 . . . . 0.0 113.909 177.52 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -73.66 -43.35 59.68 Favored 'General case' 0 CA--C 1.548 0.885 0 CA-C-N 123.839 3.018 . . . . 0.0 113.845 170.85 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -83.26 -49.14 9.72 Favored 'General case' 0 N--CA 1.483 1.178 0 O-C-N 120.223 -1.548 . . . . 0.0 112.997 176.07 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.85 11.71 0.35 Allowed 'General case' 0 CA--C 1.556 1.178 0 N-CA-C 116.63 2.085 . . . . 0.0 116.63 161.667 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.463 ' HB2' ' O ' ' A' ' 7' ' ' GLU . . . -66.54 -39.3 88.49 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 118.111 -2.868 . . . . 0.0 112.577 148.536 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 48.1 mttp -79.32 57.72 2.4 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-O 122.586 1.184 . . . . 0.0 111.356 -170.019 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -68.89 -13.21 62.29 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 114.522 1.305 . . . . 0.0 114.522 176.868 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.6 mtpp -63.7 -39.64 94.81 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.951 0.9 . . . . 0.0 112.099 159.955 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -97.94 70.59 2.14 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-O 125.169 2.414 . . . . 0.0 110.109 178.259 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.95 -38.88 70.93 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 108.948 -3.751 . . . . 0.0 114.372 -174.118 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 64.4 mmm -65.34 -33.71 76.61 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.967 0.907 . . . . 0.0 112.877 175.02 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 58.6 mt -87.95 -44.9 10.68 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.248 0.619 . . . . 0.0 111.331 -172.813 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.75 -33.54 68.59 Favored 'General case' 0 CA--C 1.554 1.124 0 O-C-N 120.574 -1.329 . . . . 0.0 114.489 159.472 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . 0.25 0.1 OUTLIER -68.89 -27.68 66.01 Favored 'General case' 0 CA--C 1.549 0.905 0 CA-C-N 124.09 3.132 . . . . 0.0 111.614 170.535 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 87.5 m -60.76 -37.13 80.78 Favored 'General case' 0 CA--C 1.548 0.88 0 CA-C-N 121.308 1.867 . . . . 0.0 113.818 162.534 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -50.31 -49.17 54.53 Favored 'General case' 0 N--CA 1.482 1.158 0 CA-C-N 119.616 1.098 . . . . 0.0 112.089 160.782 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.402 ' O ' ' HD2' ' A' ' 27' ' ' TYR . 3.8 m-30 -74.18 -29.48 61.78 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 -176.883 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -58.27 -44.68 88.53 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 119.036 0.834 . . . . 0.0 112.524 161.238 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.54 -52.24 51.5 Favored Glycine 0 CA--C 1.531 1.065 0 C-N-CA 123.759 0.695 . . . . 0.0 114.218 171.742 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.4 -43.88 88.75 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 177.24 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.402 ' HD2' ' O ' ' A' ' 23' ' ' TYR . 72.0 m-85 -75.48 68.64 2.16 Favored 'General case' 0 CA--C 1.552 1.023 0 CA-C-N 120.177 1.353 . . . . 0.0 113.727 174.108 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -79.71 147.23 32.02 Favored 'General case' 0 CA--C 1.548 0.894 0 CA-C-N 115.097 -0.956 . . . . 0.0 113.578 174.782 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -132.25 -120.93 0.2 Allowed 'General case' 0 CA--C 1.555 1.154 0 O-C-N 120.97 -1.081 . . . . 0.0 111.748 -178.426 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -72.64 -2.25 19.35 Favored 'General case' 0 CA--C 1.549 0.916 0 O-C-N 119.217 -2.177 . . . . 0.0 116.383 -179.607 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -74.45 106.6 6.13 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-O 122.925 1.345 . . . . 0.0 113.297 -176.112 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -61.1 -36.37 79.51 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 114.216 -1.356 . . . . 0.0 113.622 174.093 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 46.8 p -118.22 138.42 52.35 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-O 121.959 0.885 . . . . 0.0 111.376 166.804 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 94.9 m -61.93 -35.83 79.59 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.423 1.089 . . . . 0.0 113.349 173.18 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.2 mp0 -67.26 -31.07 71.15 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 125.27 1.428 . . . . 0.0 114.334 -172.471 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -70.25 -44.87 67.6 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 121.795 2.088 . . . . 0.0 112.29 173.872 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.579 ' O ' HD12 ' A' ' 41' ' ' ILE . 36.3 ttp85 -58.19 -53.11 62.03 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 114.306 -1.315 . . . . 0.0 110.329 171.037 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -81.64 -1.93 48.43 Favored 'General case' 0 CA--C 1.55 0.96 0 N-CA-C 117.555 2.428 . . . . 0.0 117.555 176.647 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.22 -33.88 73.99 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 119.315 -2.116 . . . . 0.0 112.4 152.929 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 81.9 mtm180 -73.32 -36.27 66.19 Favored 'General case' 0 CA--C 1.552 1.026 0 N-CA-C 114.874 1.435 . . . . 0.0 114.874 166.667 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.59 HD13 ' CE2' ' A' ' 51' ' ' PHE 0.273 3.5 mp -76.02 86.28 0.73 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.867 0 CA-C-O 126.746 3.165 . . . . 0.0 113.503 167.881 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 61.0 mttm -91.17 4.73 51.49 Favored 'General case' 0 CA--C 1.547 0.833 1 CA-C-N 107.937 -4.21 . . . . 0.0 116.107 -174.82 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 79.9 mt -61.82 -40.73 88.04 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.884 0 N-CA-C 114.746 1.387 . . . . 0.0 114.746 -164.875 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -175.7 162.19 31.31 Favored Glycine 0 CA--C 1.545 1.928 0 CA-C-O 117.773 -1.571 . . . . 0.0 115.709 175.312 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_exo -52.38 -51.07 11.95 Favored 'Trans proline' 0 C--N 1.361 1.221 0 C-N-CA 125.266 3.978 . . . . 0.0 116.127 177.912 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 23.0 mmtt -68.26 -23.46 64.78 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 113.869 1.062 . . . . 0.0 113.869 173.5 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 39.5 t -67.29 -58.25 5.17 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-O 117.324 -1.322 . . . . 0.0 110.588 170.713 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -50.95 -40.01 19.95 Favored 'Isoleucine or valine' 0 C--N 1.351 0.663 0 CA-C-N 120.194 1.361 . . . . 0.0 114.447 169.968 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.27 -52.23 64.56 Favored 'General case' 0 CA--C 1.555 1.143 0 N-CA-C 115.564 1.69 . . . . 0.0 115.564 173.302 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.85 -45.37 78.45 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.704 1.202 . . . . 0.0 111.508 170.117 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.59 ' CE2' HD13 ' A' ' 41' ' ' ILE . 2.7 t80 -55.37 -58.03 9.41 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.604 1.162 . . . . 0.0 111.992 174.513 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 43.3 tptt -59.53 -41.18 89.43 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.402 1.081 . . . . 0.0 113.127 -178.325 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.446 ' O ' HD12 ' A' ' 57' ' ' ILE . 94.5 m-20 -66.17 -54.73 21.81 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.691 0.997 . . . . 0.0 113.691 174.465 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 12.3 m -60.31 -28.03 67.79 Favored 'General case' 0 CA--C 1.549 0.907 0 N-CA-C 114.917 1.451 . . . . 0.0 114.917 171.723 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.8 t -71.31 -34.44 70.61 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 120.831 1.65 . . . . 0.0 112.868 170.279 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -58.28 -41.14 83.7 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 120.292 1.406 . . . . 0.0 112.944 162.979 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.446 HD12 ' O ' ' A' ' 53' ' ' ASP . 2.8 mp -61.58 -47.65 92.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 CA-C-N 120.119 1.327 . . . . 0.0 113.379 167.815 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.0 -39.1 68.7 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 172.748 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -64.79 -41.25 95.98 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 169.903 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -64.56 -34.05 77.34 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 113.942 1.09 . . . . 0.0 113.942 170.967 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 86.8 t -64.95 -49.89 77.57 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.759 0 CA-C-N 119.182 0.901 . . . . 0.0 111.74 166.127 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -59.88 -38.55 82.51 Favored 'General case' 0 CA--C 1.548 0.898 0 CA-C-N 119.471 1.032 . . . . 0.0 113.737 176.334 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -89.89 13.81 13.66 Favored 'General case' 0 CA--C 1.555 1.151 0 N-CA-C 114.921 1.452 . . . . 0.0 114.921 169.843 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 . . . . . 0 CA--C 1.554 1.115 0 C-N-CA 128.129 2.572 . . . . 0.0 116.205 173.273 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.0 mp . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 118.728 -0.654 . . . . 0.0 109.749 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -58.72 -54.5 46.39 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 115.99 -1.957 . . . . 0.0 112.179 175.483 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -64.07 -21.93 66.72 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 125.772 3.896 . . . . 0.0 114.738 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -79.23 -69.05 0.6 Allowed 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 119.982 1.264 . . . . 0.0 112.514 163.71 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.84 3.61 7.84 Favored 'General case' 0 CA--C 1.556 1.209 0 N-CA-C 119.396 3.109 . . . . 0.0 119.396 179.594 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.99 -50.93 8.56 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 117.444 -3.285 . . . . 0.0 111.859 156.698 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -83.07 68.02 9.36 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-O 123.294 1.521 . . . . 0.0 111.184 -174.326 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.7 m-30 -54.29 -3.9 0.05 OUTLIER 'General case' 0 CA--C 1.551 1.005 0 N-CA-C 117.03 2.234 . . . . 0.0 117.03 177.534 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -59.05 -31.88 69.25 Favored 'General case' 0 CA--C 1.546 0.79 0 O-C-N 120.821 -1.174 . . . . 0.0 112.288 157.086 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -80.04 58.09 2.85 Favored 'General case' 0 CA--C 1.549 0.933 0 CA-C-O 122.549 1.166 . . . . 0.0 111.312 172.046 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.51 -54.71 43.71 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 115.995 1.85 . . . . 0.0 115.995 -165.955 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 70.7 mmm -67.68 -27.04 66.51 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.769 0.828 . . . . 0.0 113.107 176.01 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 39.3 mt -81.96 -44.98 16.01 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.028 0.931 . . . . 0.0 111.335 -175.242 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -63.19 -31.15 72.22 Favored 'General case' 0 CA--C 1.545 0.784 0 O-C-N 121.428 -0.795 . . . . 0.0 112.087 164.266 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.2 tmtm? -63.71 -38.09 89.81 Favored 'General case' 0 CA--C 1.551 1.006 0 CA-C-N 121.208 1.822 . . . . 0.0 111.443 168.371 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 27.6 m -58.03 -39.56 78.7 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 122.267 2.303 . . . . 0.0 114.786 165.575 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -49.67 -51.96 34.46 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 119.214 0.916 . . . . 0.0 111.572 163.99 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.401 ' O ' ' HD2' ' A' ' 27' ' ' TYR 0.262 6.4 m-30 -74.78 -24.63 58.7 Favored 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 113.814 1.042 . . . . 0.0 113.814 -175.794 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -61.35 -37.33 82.95 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 113.564 0.95 . . . . 0.0 113.564 160.607 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.96 -42.07 69.96 Favored Glycine 0 CA--C 1.532 1.154 0 CA-C-O 119.357 -0.691 . . . . 0.0 114.718 170.312 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.96 -38.79 92.13 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 114.061 1.134 . . . . 0.0 114.061 175.305 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.401 ' HD2' ' O ' ' A' ' 23' ' ' TYR . 52.0 m-85 -72.96 67.95 0.88 Allowed 'General case' 0 CA--C 1.552 1.033 0 CA-C-O 123.383 1.563 . . . . 0.0 113.691 171.782 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 33.0 ttt-85 -146.46 133.41 20.22 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 114.007 -1.451 . . . . 0.0 112.188 174.966 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -140.06 -56.29 0.55 Allowed 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.07 168.439 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -64.72 -53.38 48.07 Favored 'General case' 0 CA--C 1.547 0.862 0 N-CA-C 116.802 2.149 . . . . 0.0 116.802 -175.248 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -79.47 126.3 30.68 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-O 122.359 1.076 . . . . 0.0 113.478 -172.479 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -58.51 -55.5 34.22 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 115.257 1.577 . . . . 0.0 115.257 -169.728 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 33.0 m -105.53 113.78 27.56 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 121.44 -0.787 . . . . 0.0 112.371 -168.85 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 91.5 m -57.63 -38.88 75.76 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 176.806 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 40.7 mp0 -67.21 -14.84 63.29 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 114.185 1.18 . . . . 0.0 114.185 -178.234 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -75.31 -59.32 2.8 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 121.29 1.859 . . . . 0.0 110.006 172.108 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.628 ' O ' HD12 ' A' ' 41' ' ' ILE . 2.9 ptp180 -59.34 -40.3 85.91 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-O 118.003 -0.998 . . . . 0.0 111.944 172.151 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -87.3 6.19 34.65 Favored 'General case' 0 CA--C 1.551 0.994 0 CA-C-N 122.154 2.252 . . . . 0.0 116.889 172.205 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.78 -31.73 63.44 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 119.083 -2.261 . . . . 0.0 112.084 146.4 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 87.2 mtt-85 -72.59 -44.62 61.79 Favored 'General case' 0 CA--C 1.553 1.073 0 N-CA-C 113.247 0.832 . . . . 0.0 113.247 168.643 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.628 HD12 ' O ' ' A' ' 37' ' ' ARG . 3.2 mp -69.62 86.78 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.926 0 CA-C-O 126.734 3.159 . . . . 0.0 113.504 167.613 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 58.0 mttp -97.0 9.98 40.52 Favored 'General case' 0 CA--C 1.547 0.833 1 CA-C-N 107.876 -4.238 . . . . 0.0 115.836 -178.661 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 76.6 mt -62.94 -37.87 80.43 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.962 0 CA-C-N 119.901 1.228 . . . . 0.0 114.156 -166.612 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -177.49 163.59 32.21 Favored Glycine 0 CA--C 1.545 1.968 0 CA-C-O 118.01 -1.439 . . . . 0.0 115.362 172.538 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_exo -53.53 -47.0 29.7 Favored 'Trans proline' 0 C--N 1.359 1.128 0 C-N-CA 124.97 3.78 . . . . 0.0 115.694 174.569 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 42.5 tttm -68.21 -30.03 69.01 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 124.195 0.998 . . . . 0.0 112.374 177.626 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.44 -55.29 18.79 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.487 1.115 . . . . 0.0 111.06 171.622 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . 0.293 0.0 OUTLIER -54.2 -36.11 31.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 N-CA-C 115.612 1.708 . . . . 0.0 115.612 169.263 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -60.86 -51.47 69.17 Favored 'General case' 0 CA--C 1.551 1.015 0 CA-C-N 120.755 1.616 . . . . 0.0 115.216 170.8 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.42 -50.51 62.4 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 124.36 1.064 . . . . 0.0 111.168 168.44 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.553 ' CE2' HD13 ' A' ' 41' ' ' ILE . 2.7 t80 -54.13 -53.53 51.99 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.924 1.29 . . . . 0.0 112.409 176.225 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 53.0 tptt -62.79 -40.9 98.75 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 113.603 0.964 . . . . 0.0 113.603 -178.078 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -73.28 -37.68 66.17 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 120.497 1.498 . . . . 0.0 114.925 175.463 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 9.0 m -63.45 -30.88 71.93 Favored 'General case' 0 CA--C 1.553 1.085 0 N-CA-C 114.344 1.239 . . . . 0.0 114.344 164.564 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 16.4 t -57.9 -42.94 85.73 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 120.894 1.679 . . . . 0.0 113.194 164.022 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -56.66 -44.42 81.33 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 119.712 1.142 . . . . 0.0 112.94 168.024 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 24.0 mm -60.35 -45.39 96.57 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 N-CA-C 113.968 1.099 . . . . 0.0 113.968 170.85 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.78 -45.62 82.01 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 113.664 0.986 . . . . 0.0 113.664 174.497 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 71.3 m-80 -65.85 -38.92 90.12 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 113.656 0.984 . . . . 0.0 113.656 171.612 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -60.19 -48.59 81.07 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-O 118.369 -0.824 . . . . 0.0 112.921 173.167 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 33.2 m -70.36 -28.47 35.4 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.777 0 CA-C-N 120.6 1.545 . . . . 0.0 114.282 175.112 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 57.4 ttt180 -65.57 -42.1 92.17 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 120.318 1.417 . . . . 0.0 113.079 166.142 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.08 -46.34 65.1 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 119.635 1.107 . . . . 0.0 113.796 171.819 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 . . . . . 0 CA--C 1.546 0.803 0 C-N-CA 126.823 2.049 . . . . 0.0 115.145 175.208 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 5.3 mp . . . . . 0 N--CA 1.483 1.181 0 CA-C-O 118.648 -0.692 . . . . 0.0 109.938 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -60.95 -31.54 71.1 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-O 116.693 -1.623 . . . . 0.0 114.588 175.013 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 86.1 mt-10 -69.62 -36.51 76.21 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 123.533 2.879 . . . . 0.0 115.164 170.947 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -87.15 -46.27 9.91 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 120.544 1.52 . . . . 0.0 112.625 177.118 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.83 4.88 3.64 Favored 'General case' 0 CA--C 1.555 1.143 0 N-CA-C 116.254 1.946 . . . . 0.0 116.254 164.316 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.29 -40.2 71.02 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 118.315 -2.74 . . . . 0.0 112.539 149.457 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 48.8 mttp -77.6 62.9 2.61 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-O 122.835 1.302 . . . . 0.0 111.652 -174.052 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -66.5 -14.33 62.13 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 113.763 1.023 . . . . 0.0 113.763 170.928 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.0 tptp -64.38 -35.87 82.3 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 124.351 1.06 . . . . 0.0 112.902 160.214 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -98.19 68.78 1.96 Allowed 'General case' 0 CA--C 1.544 0.727 0 CA-C-O 125.254 2.455 . . . . 0.0 110.089 174.105 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.3 -40.7 74.75 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 108.916 -3.766 . . . . 0.0 114.289 -170.968 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 32.4 ttm -66.78 -32.47 73.78 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.217 1.007 . . . . 0.0 112.745 176.153 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 74.4 mt -86.86 -40.39 14.94 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 121.069 -1.019 . . . . 0.0 112.427 -174.45 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.68 -29.67 70.87 Favored 'General case' 0 CA--C 1.551 1.014 0 O-C-N 120.79 -1.194 . . . . 0.0 113.108 160.492 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.0 tmtm? -66.52 -34.19 77.37 Favored 'General case' 0 CA--C 1.549 0.937 0 CA-C-N 122.055 2.207 . . . . 0.0 111.508 167.538 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 98.5 m -53.94 -43.12 69.55 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 122.175 2.261 . . . . 0.0 113.774 163.44 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -49.25 -55.94 10.98 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 122.795 0.438 . . . . 0.0 111.337 163.648 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.414 ' O ' ' HD2' ' A' ' 27' ' ' TYR 0.265 5.3 m-30 -72.8 -22.29 60.85 Favored 'General case' 0 CA--C 1.552 1.035 0 N-CA-C 114.237 1.199 . . . . 0.0 114.237 -173.838 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -58.85 -48.64 80.65 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.145 0.978 . . . . 0.0 112.286 159.679 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.83 -42.32 96.52 Favored Glycine 0 CA--C 1.532 1.145 0 CA-C-O 119.428 -0.651 . . . . 0.0 114.655 172.354 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.81 -46.36 85.47 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 114.212 1.19 . . . . 0.0 114.212 175.237 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.414 ' HD2' ' O ' ' A' ' 23' ' ' TYR . 59.8 m-85 -73.95 66.65 1.19 Allowed 'General case' 0 CA--C 1.552 1.055 0 CA-C-N 120.511 1.505 . . . . 0.0 114.978 178.246 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -74.36 134.45 42.48 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-O 122.341 1.067 . . . . 0.0 113.578 170.717 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 17.9 p-10 -157.02 -59.33 0.09 Allowed 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 114.853 -1.067 . . . . 0.0 113.808 -166.317 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -74.04 -45.28 50.57 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 116.577 2.066 . . . . 0.0 116.577 -173.224 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -143.86 -177.42 5.42 Favored 'General case' 0 CA--C 1.55 0.977 0 CA-C-N 120.381 1.446 . . . . 0.0 112.129 -178.948 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -78.89 -43.15 25.55 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 116.132 1.901 . . . . 0.0 116.132 170.709 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 41.2 p -85.0 113.87 21.75 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 121.012 -1.055 . . . . 0.0 113.769 -167.743 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 81.1 m -64.19 -37.97 89.38 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 178.823 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.75 -5.17 39.05 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 114.47 1.285 . . . . 0.0 114.47 178.453 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -70.97 -59.84 2.56 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 121.202 1.819 . . . . 0.0 110.428 163.369 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.574 ' O ' HD12 ' A' ' 41' ' ' ILE . 33.1 mtm180 -54.83 -50.7 67.96 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 115.0 -1.0 . . . . 0.0 112.255 170.034 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . 0.283 . . -89.08 15.31 8.91 Favored 'General case' 0 CA--C 1.55 0.964 0 N-CA-C 116.079 1.881 . . . . 0.0 116.079 177.491 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.15 -43.12 62.02 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 119.586 -1.946 . . . . 0.0 112.021 140.069 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.8 mpp_? -70.42 -42.62 71.36 Favored 'General case' 0 CA--C 1.553 1.062 0 N-CA-C 114.545 1.313 . . . . 0.0 114.545 172.25 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.574 HD12 ' O ' ' A' ' 37' ' ' ARG . 3.3 mp -68.95 88.36 0.18 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.969 0 CA-C-O 126.875 3.226 . . . . 0.0 112.684 166.55 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 29.9 mmtm -95.61 7.29 46.7 Favored 'General case' 0 CA--C 1.544 0.745 1 CA-C-N 107.137 -4.574 . . . . 0.0 116.491 -176.158 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 73.6 mt -63.8 -39.28 84.81 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.906 0 N-CA-C 114.3 1.222 . . . . 0.0 114.3 -166.181 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 177.44 168.5 37.27 Favored Glycine 0 CA--C 1.545 1.965 0 CA-C-N 120.224 1.375 . . . . 0.0 116.465 173.058 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_exo -52.83 -46.8 31.12 Favored 'Trans proline' 0 C--N 1.361 1.191 0 C-N-CA 125.223 3.949 . . . . 0.0 115.964 174.928 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -66.01 -30.93 71.56 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.846 0.859 . . . . 0.0 112.242 175.701 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 43.3 t -65.93 -57.92 6.73 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-O 117.386 -1.292 . . . . 0.0 111.677 172.416 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -52.23 -38.13 24.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 CA-C-N 120.884 1.674 . . . . 0.0 115.106 170.967 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.15 -53.47 56.62 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 115.313 1.598 . . . . 0.0 115.313 170.892 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.21 -48.36 68.19 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 124.254 1.021 . . . . 0.0 111.017 169.929 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.536 ' CE2' HD13 ' A' ' 41' ' ' ILE . 3.0 t80 -55.21 -57.4 11.94 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.218 1.407 . . . . 0.0 112.3 176.49 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.433 ' O ' ' HD1' ' A' ' 56' ' ' TYR . 41.7 mttm -65.62 -34.7 78.84 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 115.489 1.662 . . . . 0.0 115.489 -179.551 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -69.93 -44.14 70.23 Favored 'General case' 0 CA--C 1.55 0.943 0 CA-C-N 121.486 1.948 . . . . 0.0 113.36 173.593 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 5.6 m -63.35 -31.63 72.84 Favored 'General case' 0 CA--C 1.552 1.026 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 167.453 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 51.9 t -57.03 -42.41 80.36 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 120.506 1.503 . . . . 0.0 112.683 164.374 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.433 ' HD1' ' O ' ' A' ' 52' ' ' LYS . 24.9 m-85 -59.15 -41.38 88.2 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 120.249 1.386 . . . . 0.0 113.777 169.534 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 27.2 mm -58.91 -48.74 85.45 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.256 0 CA-C-N 119.902 1.228 . . . . 0.0 113.804 167.959 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.1 -40.9 77.9 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 113.439 0.903 . . . . 0.0 113.439 173.622 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -61.92 -37.51 84.96 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.448 1.099 . . . . 0.0 113.408 172.707 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -64.64 -45.83 85.14 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 118.859 0.754 . . . . 0.0 112.665 168.533 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 90.4 t -64.26 -45.02 97.38 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.834 0 N-CA-C 113.805 1.039 . . . . 0.0 113.805 177.294 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 36.8 ptt180 -68.17 -20.5 64.88 Favored 'General case' 0 CA--C 1.548 0.895 0 CA-C-N 121.286 1.857 . . . . 0.0 114.374 175.245 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -85.16 -56.72 3.4 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 119.284 0.947 . . . . 0.0 112.674 166.794 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 . . . . . 0 CA--C 1.547 0.836 0 O-C-N 120.409 -1.432 . . . . 0.0 111.548 -179.305 . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.2 mt . . . . . 0 N--CA 1.486 1.367 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -58.87 -38.32 78.53 Favored 'General case' 0 C--N 1.347 0.492 0 CA-C-O 117.633 -1.175 . . . . 0.0 112.507 -179.179 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -60.71 -57.79 11.22 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 120.863 1.665 . . . . 0.0 115.343 168.1 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -71.77 -42.38 67.24 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 120.974 1.716 . . . . 0.0 113.912 -175.851 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.88 -4.97 31.2 Favored 'General case' 0 CA--C 1.555 1.16 0 N-CA-C 116.517 2.043 . . . . 0.0 116.517 162.443 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -80.09 -42.09 24.31 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 124.729 3.422 . . . . 0.0 113.073 152.798 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 52.1 mttp -69.51 59.04 0.13 Allowed 'General case' 0 CA--C 1.552 1.037 0 CA-C-O 122.827 1.299 . . . . 0.0 113.233 178.175 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -60.05 -12.88 9.21 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 126.192 1.797 . . . . 0.0 115.354 176.131 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -60.98 -36.89 80.62 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.242 1.017 . . . . 0.0 112.209 162.566 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 58.9 m-85 -92.75 67.16 4.47 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-O 124.395 2.045 . . . . 0.0 110.209 173.661 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.91 -43.18 81.14 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 110.819 -2.9 . . . . 0.0 114.213 -173.098 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 61.9 mtp -65.96 -29.91 70.38 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.132 0.973 . . . . 0.0 113.397 175.438 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 63.9 mt -87.09 -38.84 16.12 Favored 'General case' 0 CA--C 1.537 0.475 0 O-C-N 121.399 -0.813 . . . . 0.0 112.255 -175.269 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.81 -32.51 74.08 Favored 'General case' 0 CA--C 1.55 0.947 0 O-C-N 120.981 -1.074 . . . . 0.0 112.975 161.354 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.1 tptp -67.24 -28.76 68.32 Favored 'General case' 0 CA--C 1.553 1.084 0 CA-C-N 122.081 2.219 . . . . 0.0 112.345 168.827 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.2 t -63.26 -40.9 98.72 Favored 'General case' 0 CA--C 1.551 1.006 0 CA-C-N 119.983 1.265 . . . . 0.0 113.273 165.074 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.6 t -47.41 -56.95 5.91 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 118.812 0.733 . . . . 0.0 110.957 160.187 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.419 ' O ' ' HD2' ' A' ' 27' ' ' TYR 0.282 6.7 m-30 -72.1 -21.43 61.49 Favored 'General case' 0 CA--C 1.553 1.08 0 N-CA-C 114.213 1.19 . . . . 0.0 114.213 -173.972 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.2 t0 -61.74 -40.71 96.07 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.746 1.218 . . . . 0.0 112.586 161.21 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.5 -40.59 91.05 Favored Glycine 0 CA--C 1.537 1.412 0 CA-C-O 119.001 -0.888 . . . . 0.0 114.948 167.37 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.36 -42.32 96.27 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 114.914 1.45 . . . . 0.0 114.914 178.602 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.419 ' HD2' ' O ' ' A' ' 23' ' ' TYR . 59.7 m-85 -72.73 55.53 0.38 Allowed 'General case' 0 CA--C 1.555 1.137 0 CA-C-N 120.826 1.648 . . . . 0.0 114.869 176.891 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 20.4 mmm180 -143.09 166.64 24.11 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.777 1.231 . . . . 0.0 114.206 -179.118 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 26.6 t30 -147.8 -78.98 0.15 Allowed 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.635 177.92 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -73.19 66.19 0.86 Allowed 'General case' 0 CA--C 1.547 0.857 0 CA-C-O 123.275 1.512 . . . . 0.0 114.677 -173.658 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -89.14 119.66 29.84 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 114.459 -1.246 . . . . 0.0 112.001 174.804 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -66.32 -51.81 53.51 Favored 'General case' 0 CA--C 1.547 0.837 0 O-C-N 120.822 -1.174 . . . . 0.0 110.711 165.744 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 24.9 m -150.81 132.97 15.34 Favored 'General case' 0 CA--C 1.545 0.787 0 O-C-N 120.657 -1.277 . . . . 0.0 110.734 159.312 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 90.4 m -53.16 -34.17 55.73 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 115.042 1.497 . . . . 0.0 115.042 -175.615 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -66.4 -9.57 35.05 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 125.244 1.418 . . . . 0.0 113.727 177.043 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -72.05 -58.92 3.03 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 123.184 2.72 . . . . 0.0 110.686 168.7 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.577 ' O ' HD12 ' A' ' 41' ' ' ILE . 26.8 ttt180 -61.57 -44.02 97.8 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 112.742 -2.027 . . . . 0.0 110.143 176.057 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -92.33 19.34 7.19 Favored 'General case' 0 CA--C 1.553 1.094 0 N-CA-C 115.856 1.798 . . . . 0.0 115.856 172.127 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -75.78 -38.24 58.46 Favored 'General case' 0 N--CA 1.468 0.446 0 O-C-N 118.742 -2.474 . . . . 0.0 111.681 140.701 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -66.8 -49.05 67.09 Favored 'General case' 0 CA--C 1.551 1.003 0 N-CA-C 113.207 0.818 . . . . 0.0 113.207 169.621 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.577 HD12 ' O ' ' A' ' 37' ' ' ARG . 3.4 mp -77.29 82.13 0.79 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.806 0 CA-C-O 126.252 2.93 . . . . 0.0 113.047 169.846 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.0 tptt -118.76 40.28 3.3 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-N 108.413 -3.994 . . . . 0.0 112.523 177.635 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 73.5 mt -71.55 -40.14 71.16 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.807 0 C-N-CA 123.531 0.732 . . . . 0.0 111.993 -179.349 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -161.95 155.49 26.77 Favored Glycine 0 CA--C 1.545 1.954 0 CA-C-O 117.483 -1.731 . . . . 0.0 114.468 176.01 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_exo -52.21 -48.02 23.87 Favored 'Trans proline' 0 C--N 1.36 1.165 0 C-N-CA 124.985 3.79 . . . . 0.0 115.609 175.677 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -62.58 -32.97 74.05 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 113.453 0.909 . . . . 0.0 113.453 173.237 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 10.7 t -65.68 -60.31 3.03 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-O 117.385 -1.293 . . . . 0.0 109.457 175.337 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -50.9 -42.86 24.21 Favored 'Isoleucine or valine' 0 C--N 1.352 0.685 0 CA-C-N 120.488 1.495 . . . . 0.0 114.932 173.718 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.5 ttpp -61.5 -55.48 30.57 Favored 'General case' 0 CA--C 1.55 0.96 0 CA-C-O 117.825 -1.083 . . . . 0.0 113.335 174.748 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -50.43 -48.98 56.09 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-N 120.123 1.329 . . . . 0.0 111.079 170.832 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.539 ' CE2' HD13 ' A' ' 41' ' ' ILE . 7.2 t80 -53.73 -58.26 7.87 Favored 'General case' 0 C--N 1.349 0.554 0 C-N-CA 125.188 1.395 . . . . 0.0 112.257 176.251 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -66.11 -28.82 69.1 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 114.424 1.268 . . . . 0.0 114.424 -179.274 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -63.57 -53.34 53.21 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 120.28 1.4 . . . . 0.0 113.18 169.807 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 15.2 m -64.33 -35.15 79.93 Favored 'General case' 0 CA--C 1.553 1.094 0 N-CA-C 115.276 1.584 . . . . 0.0 115.276 171.467 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 8.3 t -65.51 -36.87 85.13 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 121.092 1.769 . . . . 0.0 112.767 172.653 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.415 ' O ' ' HG2' ' A' ' 60' ' ' GLN . 8.9 t80 -55.87 -48.43 75.57 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-O 117.875 -1.06 . . . . 0.0 112.228 164.175 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 26.8 mm -57.98 -47.42 86.64 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.167 0 CA-C-N 120.527 1.512 . . . . 0.0 114.881 170.428 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.48 -45.49 69.64 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 174.005 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 13.9 m-80 -72.15 -26.03 61.93 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 115.155 1.539 . . . . 0.0 115.155 172.792 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.415 ' HG2' ' O ' ' A' ' 56' ' ' TYR . 14.4 mm-40 -68.46 -40.84 80.9 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 121.302 1.865 . . . . 0.0 112.896 164.743 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 98.5 t -62.29 -39.07 82.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 CA-C-N 119.731 1.15 . . . . 0.0 112.851 172.705 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -54.96 -41.5 71.21 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 124.76 1.224 . . . . 0.0 114.06 168.935 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -77.68 -48.63 16.3 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 172.552 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 . . . . . 0 CA--C 1.546 0.792 0 C-N-CA 126.903 2.081 . . . . 0.0 115.388 177.169 . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.2 mp . . . . . 0 N--CA 1.484 1.267 0 N-CA-C 110.008 -0.368 . . . . 0.0 110.008 . . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 41.1 mm-40 -60.07 -47.7 84.8 Favored 'General case' 0 C--O 1.217 -0.644 0 CA-C-O 115.834 -2.031 . . . . 0.0 112.084 174.166 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -64.6 -17.97 64.47 Favored 'General case' 0 CA--C 1.553 1.071 1 CA-C-N 126.176 4.08 . . . . 0.0 115.576 177.743 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -86.25 -48.16 8.78 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 121.005 1.729 . . . . 0.0 114.515 161.667 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.576 ' O ' ' HD1' ' A' ' 13' ' ' TYR . . . -63.69 -63.77 1.08 Allowed 'General case' 0 N--CA 1.478 0.965 0 CA-C-O 115.704 -2.093 . . . . 0.0 115.797 168.194 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -50.34 -24.46 3.0 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 124.26 3.209 . . . . 0.0 118.071 -165.224 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 59.3 mttp -62.42 -36.62 82.95 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 123.859 0.864 . . . . 0.0 112.616 169.327 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.576 ' HD1' ' O ' ' A' ' 10' ' ' ALA 0.295 1.6 m-85 53.5 -29.96 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 118.925 2.935 . . . . 0.0 118.925 178.721 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -62.44 -33.92 75.76 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.612 1.565 . . . . 0.0 112.835 168.783 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 62.4 m-85 -76.28 65.77 2.27 Favored 'General case' 0 CA--C 1.548 0.886 0 CA-C-O 124.058 1.885 . . . . 0.0 112.076 169.064 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.43 -50.66 73.07 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 111.118 -2.765 . . . . 0.0 115.495 -167.079 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 4.2 mpp? -63.66 -31.76 73.03 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.154 0.982 . . . . 0.0 113.102 178.773 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 37.8 mt -83.08 -47.44 11.66 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.065 0.946 . . . . 0.0 110.962 -173.666 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.7 tmmm? -52.94 -42.03 65.04 Favored 'General case' 0 CA--C 1.55 0.944 0 N-CA-C 114.441 1.274 . . . . 0.0 114.441 159.301 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.25 -32.35 73.73 Favored 'General case' 0 CA--C 1.549 0.933 0 CA-C-N 121.11 1.777 . . . . 0.0 112.187 169.958 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 18.2 m -60.73 -38.17 84.23 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 122.68 2.491 . . . . 0.0 114.699 163.18 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -50.49 -55.9 13.94 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 120.295 1.407 . . . . 0.0 110.803 164.362 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.261 6.4 m-30 -72.35 -25.33 61.49 Favored 'General case' 0 CA--C 1.554 1.098 0 N-CA-C 113.675 0.991 . . . . 0.0 113.675 -173.982 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.28 -34.9 78.69 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.144 1.378 . . . . 0.0 113.456 164.155 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -78.07 -32.62 43.56 Favored Glycine 0 CA--C 1.534 1.269 0 CA-C-O 118.97 -0.905 . . . . 0.0 115.15 168.679 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.33 -46.46 80.17 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 119.028 1.414 . . . . 0.0 113.807 174.78 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -74.91 40.19 0.14 Allowed 'General case' 0 CA--C 1.555 1.149 0 N-CA-C 115.515 1.672 . . . . 0.0 115.515 178.388 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 34.4 mmt180 -117.22 72.43 0.83 Allowed 'General case' 0 CA--C 1.546 0.819 0 O-C-N 119.685 -1.885 . . . . 0.0 112.796 -175.3 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 23.2 m120 -84.05 -56.44 3.67 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 115.307 -0.86 . . . . 0.0 112.932 175.384 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -68.16 -33.43 74.45 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 114.429 1.27 . . . . 0.0 114.429 176.299 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -77.84 84.68 4.14 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 113.466 0.913 . . . . 0.0 113.466 -179.22 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.48 -49.79 66.71 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 116.812 2.153 . . . . 0.0 116.812 -174.46 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 90.2 m -109.01 99.58 8.89 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 121.228 1.831 . . . . 0.0 109.376 -178.13 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 77.5 m -59.19 -40.35 85.42 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 114.948 1.462 . . . . 0.0 114.948 -174.796 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -66.49 -16.77 64.38 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 114.612 1.338 . . . . 0.0 114.612 -177.683 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -69.16 -50.56 46.58 Favored 'General case' 0 CA--C 1.55 0.971 0 CA-C-O 122.566 1.174 . . . . 0.0 110.829 166.881 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.609 ' O ' HD12 ' A' ' 41' ' ' ILE . 8.6 mpt_? -66.09 -44.35 84.67 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 114.579 -1.191 . . . . 0.0 110.128 177.92 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . 0.258 . . -85.75 5.35 32.72 Favored 'General case' 0 CA--C 1.551 0.995 0 N-CA-C 116.231 1.937 . . . . 0.0 116.231 173.775 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.51 -32.48 64.28 Favored 'General case' 0 CA--C 1.543 0.705 0 O-C-N 119.429 -2.044 . . . . 0.0 112.519 145.382 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 70.9 mtt85 -73.81 -44.63 55.25 Favored 'General case' 0 CA--C 1.553 1.076 0 O-C-N 120.787 -1.195 . . . . 0.0 113.406 166.706 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.609 HD12 ' O ' ' A' ' 37' ' ' ARG 0.257 3.2 mp -68.96 84.93 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.551 1.002 0 CA-C-O 126.806 3.193 . . . . 0.0 113.122 167.363 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 55.1 mttp -94.83 11.07 32.88 Favored 'General case' 0 CA--C 1.545 0.781 1 CA-C-N 107.87 -4.241 . . . . 0.0 115.857 -176.877 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 46.3 mm -63.35 -34.99 70.45 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.905 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 -167.77 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -177.36 161.73 29.33 Favored Glycine 0 CA--C 1.546 1.987 0 CA-C-O 118.103 -1.387 . . . . 0.0 115.234 171.86 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_exo -52.65 -47.17 28.63 Favored 'Trans proline' 0 C--N 1.36 1.146 0 C-N-CA 124.976 3.784 . . . . 0.0 115.423 174.239 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -68.74 -24.68 64.48 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 123.68 0.792 . . . . 0.0 112.469 174.879 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.5 -56.52 7.14 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.67 172.296 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -50.94 -42.11 23.14 Favored 'Isoleucine or valine' 0 C--N 1.352 0.689 0 CA-C-N 120.227 1.376 . . . . 0.0 114.605 169.762 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.27 -52.18 66.68 Favored 'General case' 0 CA--C 1.55 0.945 0 N-CA-C 114.961 1.467 . . . . 0.0 114.961 172.895 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.57 -47.54 79.29 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.368 1.067 . . . . 0.0 110.884 171.345 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.556 ' CE2' HD13 ' A' ' 41' ' ' ILE . 2.8 t80 -54.68 -55.07 33.62 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.05 1.34 . . . . 0.0 112.441 176.712 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 25.5 ttpt -64.83 -38.56 91.39 Favored 'General case' 0 CA--C 1.55 0.944 0 N-CA-C 113.985 1.105 . . . . 0.0 113.985 -179.845 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.63 -50.37 72.82 Favored 'General case' 0 CA--C 1.551 0.984 0 CA-C-N 120.417 1.462 . . . . 0.0 113.902 172.379 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 10.9 m -64.73 -27.76 69.13 Favored 'General case' 0 CA--C 1.551 1.017 0 N-CA-C 114.438 1.273 . . . . 0.0 114.438 171.358 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 52.1 t -61.36 -38.79 88.23 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 121.194 1.815 . . . . 0.0 113.276 164.323 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -57.59 -42.89 84.06 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 119.943 1.247 . . . . 0.0 112.866 166.616 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 24.5 mm -60.6 -46.46 95.62 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 N-CA-C 114.079 1.14 . . . . 0.0 114.079 168.084 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.15 -42.97 77.82 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 113.225 0.824 . . . . 0.0 113.225 173.668 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -66.42 -32.7 74.23 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 114.867 1.432 . . . . 0.0 114.867 171.375 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -62.7 -43.42 98.85 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 120.068 1.304 . . . . 0.0 112.93 164.195 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 97.4 t -62.42 -33.9 61.72 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.936 0 CA-C-N 120.036 1.289 . . . . 0.0 112.961 172.914 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -61.83 -47.23 86.01 Favored 'General case' 0 CA--C 1.546 0.802 0 O-C-N 120.666 -1.271 . . . . 0.0 113.339 167.467 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.34 -51.45 10.09 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 114.726 1.38 . . . . 0.0 114.726 179.739 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 . . . . . 0 CA--C 1.548 0.872 0 CA-C-O 123.187 1.47 . . . . 0.0 111.3 -176.859 . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.7 mt . . . . . 0 N--CA 1.485 1.315 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 . . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -59.32 -44.38 92.58 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 116.832 -1.556 . . . . 0.0 112.742 -179.697 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -71.61 -33.35 68.92 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 123.0 2.637 . . . . 0.0 116.24 173.861 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.61 -57.15 3.97 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 123.884 3.038 . . . . 0.0 112.852 172.43 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.92 3.21 2.78 Favored 'General case' 0 CA--C 1.556 1.202 0 N-CA-C 117.226 2.306 . . . . 0.0 117.226 170.817 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -79.24 -41.97 27.01 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 124.28 3.218 . . . . 0.0 114.374 154.528 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 35.6 mtmm -63.55 -45.29 91.2 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 114.714 1.376 . . . . 0.0 114.714 -167.994 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 62.24 -29.6 0.07 Allowed 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 117.056 2.243 . . . . 0.0 117.056 173.013 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -61.08 -39.37 89.63 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.259 1.423 . . . . 0.0 111.921 164.902 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -78.85 66.63 4.37 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-O 124.481 2.086 . . . . 0.0 111.741 167.092 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.88 -47.75 83.83 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 110.319 -3.128 . . . . 0.0 114.597 -170.484 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 34.5 ttm -64.53 -32.24 73.8 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.219 1.008 . . . . 0.0 112.786 177.917 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 79.1 mt -83.55 -43.45 15.7 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 123.38 0.672 . . . . 0.0 112.549 -175.531 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.91 -29.74 70.22 Favored 'General case' 0 CA--C 1.551 0.981 0 CA-C-N 119.495 1.043 . . . . 0.0 113.192 163.11 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -67.97 -30.83 70.21 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-N 122.672 2.487 . . . . 0.0 111.501 168.642 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 7.0 t -63.77 -37.92 89.16 Favored 'General case' 0 CA--C 1.552 1.033 0 CA-C-N 120.656 1.571 . . . . 0.0 113.512 166.525 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.1 t -48.07 -56.98 6.45 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.19 0.596 . . . . 0.0 110.908 158.78 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.268 5.8 m-30 -72.67 -21.33 61.09 Favored 'General case' 0 CA--C 1.554 1.103 0 N-CA-C 114.396 1.258 . . . . 0.0 114.396 -174.207 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -61.38 -38.24 86.32 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.159 1.384 . . . . 0.0 112.913 160.412 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.84 -34.34 62.44 Favored Glycine 0 CA--C 1.535 1.298 0 CA-C-O 118.726 -1.041 . . . . 0.0 115.619 167.175 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.85 -47.76 65.15 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 119.725 1.763 . . . . 0.0 114.386 175.421 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -75.92 55.04 0.87 Allowed 'General case' 0 CA--C 1.553 1.077 0 CA-C-N 120.515 1.507 . . . . 0.0 114.286 -179.992 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 27.4 mmt180 -123.43 156.66 35.07 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 124.325 1.05 . . . . 0.0 113.025 -177.774 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -155.46 -76.57 0.1 Allowed 'General case' 0 CA--C 1.544 0.728 0 O-C-N 121.639 -0.663 . . . . 0.0 112.091 -169.626 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -73.22 45.06 0.15 Allowed 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 125.415 1.486 . . . . 0.0 114.105 -178.179 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -115.5 104.72 12.02 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 121.002 -1.061 . . . . 0.0 112.492 -169.03 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -63.65 -36.26 83.24 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 113.867 1.062 . . . . 0.0 113.867 176.686 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 94.8 m -152.16 121.91 6.97 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 120.312 -1.492 . . . . 0.0 111.105 176.903 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 94.9 m -58.13 -43.51 87.32 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.03 1.332 . . . . 0.0 114.166 -178.884 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 25.4 mp0 -65.71 -26.83 67.93 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.772 1.229 . . . . 0.0 114.17 -178.232 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -70.9 -51.3 26.97 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 120.422 1.464 . . . . 0.0 110.28 173.568 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.585 ' O ' HD12 ' A' ' 41' ' ' ILE . 43.5 mmm-85 -57.7 -48.25 80.1 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 115.228 -0.897 . . . . 0.0 111.047 174.114 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -80.48 -4.96 55.82 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 116.906 2.187 . . . . 0.0 116.906 175.107 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.89 -33.12 74.9 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 119.191 -2.193 . . . . 0.0 112.339 152.079 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 25.8 mmt180 -73.66 -38.77 64.85 Favored 'General case' 0 CA--C 1.553 1.065 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 168.667 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.585 HD12 ' O ' ' A' ' 37' ' ' ARG 0.313 3.4 mp -72.46 81.86 0.36 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.947 0 CA-C-O 127.598 3.571 . . . . 0.0 112.986 167.278 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.6 4.72 42.69 Favored 'General case' 0 CA--C 1.542 0.648 1 CA-C-N 106.662 -4.79 . . . . 0.0 116.814 -170.72 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 67.4 mt -65.8 -47.7 84.79 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.826 0 N-CA-C 114.283 1.216 . . . . 0.0 114.283 -165.105 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -167.94 158.24 30.94 Favored Glycine 0 CA--C 1.544 1.9 0 CA-C-O 117.375 -1.792 . . . . 0.0 115.828 178.491 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -52.08 -50.5 13.8 Favored 'Trans proline' 0 C--N 1.361 1.217 0 C-N-CA 125.279 3.986 . . . . 0.0 116.113 179.817 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.3 -29.99 71.21 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 113.463 0.912 . . . . 0.0 113.463 174.389 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 42.9 t -67.5 -61.63 1.81 Allowed 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 117.342 -1.313 . . . . 0.0 109.767 173.847 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -48.87 -36.88 8.44 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.683 0 CA-C-N 120.906 1.685 . . . . 0.0 115.295 172.51 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.6 ttpp -66.45 -58.72 4.66 Favored 'General case' 0 CA--C 1.554 1.111 0 CA-C-O 117.797 -1.097 . . . . 0.0 113.942 171.733 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -48.87 -43.45 38.93 Favored 'General case' 0 N--CA 1.482 1.153 0 CA-C-N 120.357 1.435 . . . . 0.0 111.281 171.873 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.557 ' CE2' HD13 ' A' ' 41' ' ' ILE . 3.5 t80 -55.86 -58.53 7.48 Favored 'General case' 0 C--N 1.349 0.544 0 CA-C-O 117.35 -1.309 . . . . 0.0 112.185 173.52 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 31.3 mttp -60.72 -31.97 71.25 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 120.994 1.724 . . . . 0.0 113.953 179.818 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -67.3 -52.86 35.35 Favored 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 113.552 0.945 . . . . 0.0 113.552 175.241 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 20.0 m -66.02 -28.02 68.55 Favored 'General case' 0 CA--C 1.55 0.958 0 N-CA-C 114.677 1.362 . . . . 0.0 114.677 169.411 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.9 t -69.97 -31.68 69.53 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 121.379 1.9 . . . . 0.0 112.79 170.637 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.442 ' O ' ' HG2' ' A' ' 60' ' ' GLN . 1.0 OUTLIER -55.14 -49.61 71.35 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-O 117.963 -1.018 . . . . 0.0 111.553 160.511 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 27.7 mm -55.44 -48.25 77.32 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.233 0 CA-C-N 120.235 1.379 . . . . 0.0 114.459 168.33 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.05 -51.07 65.22 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 114.056 1.132 . . . . 0.0 114.056 177.555 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 17.9 p30 -66.72 -34.55 78.09 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 120.288 1.403 . . . . 0.0 114.074 175.348 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.442 ' HG2' ' O ' ' A' ' 56' ' ' TYR . 48.3 mm-40 -67.15 -49.39 64.94 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 119.937 1.244 . . . . 0.0 112.774 171.774 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.1 p -66.48 -31.8 55.2 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.797 0 CA-C-N 120.574 1.534 . . . . 0.0 113.071 179.223 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.7 -41.24 94.78 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 119.517 1.053 . . . . 0.0 113.677 168.542 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.2 -29.35 63.89 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 114.293 1.22 . . . . 0.0 114.293 173.724 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 . . . . . 0 CA--C 1.544 0.738 0 N-CA-C 115.094 1.516 . . . . 0.0 115.094 175.082 . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.5 mp . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 118.846 -0.597 . . . . 0.0 109.889 . . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -55.93 -54.96 38.37 Favored 'General case' 0 C--N 1.347 0.488 0 CA-C-O 116.451 -1.738 . . . . 0.0 111.557 174.558 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -59.86 -28.96 67.97 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-N 123.454 2.843 . . . . 0.0 116.146 -179.324 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -86.1 -54.3 4.56 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 122.528 2.422 . . . . 0.0 114.059 167.547 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.05 1.58 4.47 Favored 'General case' 0 CA--C 1.555 1.166 0 N-CA-C 117.007 2.225 . . . . 0.0 117.007 173.071 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.6 -33.92 47.1 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 118.445 -2.66 . . . . 0.0 114.298 156.625 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 55.3 mttp -68.34 -49.92 56.9 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 114.009 1.114 . . . . 0.0 114.009 -170.318 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 61.37 -28.4 0.06 Allowed 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 116.914 2.19 . . . . 0.0 116.914 175.942 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 39.9 ttpt -59.96 -43.48 95.04 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.549 1.54 . . . . 0.0 111.553 162.673 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -77.31 66.06 3.0 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-O 124.299 2.0 . . . . 0.0 111.979 166.945 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.44 -48.29 82.22 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 110.793 -2.912 . . . . 0.0 114.694 -170.506 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 28.2 ttp -65.93 -28.79 69.18 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.953 0.901 . . . . 0.0 112.622 178.418 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 65.3 mt -87.33 -42.51 12.83 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 121.532 -0.73 . . . . 0.0 112.372 -174.621 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.93 -31.91 72.27 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-N 119.907 1.231 . . . . 0.0 112.98 160.344 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.9 tmtm? -68.83 -32.98 73.06 Favored 'General case' 0 CA--C 1.552 1.025 0 O-C-N 119.384 -2.073 . . . . 0.0 111.866 171.553 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.9 t -58.58 -41.34 85.51 Favored 'General case' 0 CA--C 1.551 1.004 0 CA-C-N 119.619 1.099 . . . . 0.0 112.612 165.275 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -47.39 -54.76 10.41 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-N 118.874 0.761 . . . . 0.0 111.565 160.655 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.276 5.2 m-30 -70.84 -27.36 63.8 Favored 'General case' 0 CA--C 1.552 1.044 0 N-CA-C 113.992 1.108 . . . . 0.0 113.992 -174.385 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -61.09 -34.69 75.32 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 115.034 1.494 . . . . 0.0 115.034 159.807 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.99 -36.64 86.53 Favored Glycine 0 CA--C 1.535 1.299 0 CA-C-N 119.158 0.89 . . . . 0.0 113.84 167.48 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.25 -54.72 13.29 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 114.546 1.313 . . . . 0.0 114.546 177.113 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . 0.265 2.0 p90 -80.81 45.43 0.81 Allowed 'General case' 0 CA--C 1.554 1.116 0 CA-C-N 122.799 2.545 . . . . 0.0 114.358 179.721 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 58.1 ttt85 -116.68 128.17 55.1 Favored 'General case' 0 CA--C 1.545 0.78 0 O-C-N 120.118 -1.614 . . . . 0.0 113.671 -169.43 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -100.34 76.8 1.9 Allowed 'General case' 0 CA--C 1.54 0.564 0 CA-C-O 123.437 1.589 . . . . 0.0 112.893 168.882 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -72.8 -42.96 63.35 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 112.976 -1.92 . . . . 0.0 112.503 173.089 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . 0.27 61.3 m-20 63.48 -40.62 0.2 Allowed 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 116.661 2.097 . . . . 0.0 116.661 179.689 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -74.25 -167.48 0.53 Allowed 'General case' 0 CA--C 1.559 1.299 0 CA-C-N 119.518 1.053 . . . . 0.0 113.504 160.336 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 27.1 m -73.21 104.47 4.27 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 119.584 -1.948 . . . . 0.0 112.41 -176.114 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.76 -45.1 93.29 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.009 1.324 . . . . 0.0 113.859 -171.887 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -68.92 -22.88 64.13 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 114.422 1.267 . . . . 0.0 114.422 179.301 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -73.95 -47.0 40.62 Favored 'General case' 0 CA--C 1.546 0.807 0 O-C-N 121.254 -0.904 . . . . 0.0 110.808 172.203 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.526 ' O ' HG13 ' A' ' 41' ' ' ILE . 24.5 mmt180 -57.86 -51.67 68.65 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.995 169.294 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -81.18 16.48 1.55 Allowed 'General case' 0 CA--C 1.55 0.952 0 N-CA-C 115.665 1.728 . . . . 0.0 115.665 170.995 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -78.54 -48.34 15.44 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 118.21 -2.806 . . . . 0.0 112.56 141.274 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.52 HH21 ' NE ' ' A' ' 37' ' ' ARG . 22.5 ptt-85 -80.32 -4.3 52.89 Favored 'General case' 0 CA--C 1.556 1.186 0 N-CA-C 116.818 2.155 . . . . 0.0 116.818 178.636 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.526 HG13 ' O ' ' A' ' 37' ' ' ARG 0.339 60.0 mt -71.79 83.85 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.968 0 CA-C-O 127.417 3.484 . . . . 0.0 112.803 170.957 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.38 14.09 1.05 Allowed 'General case' 0 CA--C 1.55 0.967 1 CA-C-N 108.188 -4.096 . . . . 0.0 117.043 -170.114 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 17.1 tt -68.64 -37.65 77.91 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.998 0 N-CA-C 114.867 1.432 . . . . 0.0 114.867 -172.693 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -179.94 136.13 2.66 Favored Glycine 0 CA--C 1.544 1.866 0 CA-C-O 115.644 -2.754 . . . . 0.0 114.05 177.105 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_exo -48.96 -55.37 4.21 Favored 'Trans proline' 0 C--N 1.362 1.243 2 C-N-CA 125.712 4.275 . . . . 0.0 118.047 -172.251 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -66.63 -30.95 71.35 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 113.389 0.885 . . . . 0.0 113.389 176.414 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 2.0 t -66.86 -60.71 2.42 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-O 115.702 -2.094 . . . . 0.0 108.222 175.742 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -47.97 -42.74 10.35 Favored 'Isoleucine or valine' 0 C--N 1.358 0.973 0 CA-C-N 122.55 2.432 . . . . 0.0 115.337 168.67 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 52.4 tttt -52.97 -61.5 2.26 Favored 'General case' 0 CA--C 1.554 1.115 0 CA-C-N 122.053 2.206 . . . . 0.0 113.378 173.948 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.33 -52.56 63.07 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 123.907 0.883 . . . . 0.0 111.653 175.792 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.424 ' HE2' HD12 ' A' ' 41' ' ' ILE . 71.7 t80 -58.89 -45.94 89.05 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.801 1.24 . . . . 0.0 114.002 178.311 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 15.8 ttmm -63.8 -42.77 97.65 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 120.434 1.47 . . . . 0.0 111.427 179.276 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -67.16 -43.32 82.54 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 176.949 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 10.0 m -64.67 -33.57 76.25 Favored 'General case' 0 CA--C 1.553 1.082 0 N-CA-C 114.934 1.457 . . . . 0.0 114.934 167.071 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.53 -41.25 94.06 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 120.713 1.597 . . . . 0.0 111.535 168.929 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -54.7 -46.62 74.19 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-O 117.947 -1.025 . . . . 0.0 112.795 166.57 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 29.9 mm -57.13 -48.79 81.4 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 CA-C-N 120.263 1.392 . . . . 0.0 113.619 169.454 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.19 -47.07 75.77 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 173.823 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -65.38 -38.05 88.86 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.271 1.028 . . . . 0.0 113.261 173.446 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -65.05 -46.51 80.95 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 119.15 0.886 . . . . 0.0 112.503 173.481 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 82.0 t -62.78 -38.08 80.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 CA-C-N 119.371 0.987 . . . . 0.0 112.366 173.834 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 39.1 ttm-85 -60.54 -39.52 88.21 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 113.404 0.89 . . . . 0.0 113.404 172.13 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.95 -52.23 9.76 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 113.737 1.014 . . . . 0.0 113.737 172.32 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 . . . . . 0 CA--C 1.55 0.972 0 CA-C-O 123.618 1.675 . . . . 0.0 112.243 -177.488 . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 78.6 mt . . . . . 0 N--CA 1.476 0.869 0 CA-C-O 118.631 -0.7 . . . . 0.0 111.257 . . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -70.05 -34.62 73.45 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-O 116.896 -1.526 . . . . 0.0 113.348 178.092 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -66.37 -46.33 77.07 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 122.764 2.529 . . . . 0.0 113.913 174.788 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -106.54 27.49 8.76 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 123.139 2.699 . . . . 0.0 113.466 173.318 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.83 -63.31 1.41 Allowed 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 119.188 3.032 . . . . 0.0 119.188 114.52 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.34 -45.93 74.93 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 117.268 2.321 . . . . 0.0 117.268 -167.199 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.8 ttpm? -81.87 52.62 1.98 Allowed 'General case' 0 CA--C 1.554 1.122 0 CA-C-O 124.155 1.931 . . . . 0.0 113.449 -169.672 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -124.15 -131.95 0.26 Allowed 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 126.479 1.912 . . . . 0.0 106.824 162.776 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -98.52 46.45 1.0 Allowed 'General case' 0 CA--C 1.548 0.903 0 O-C-N 119.762 -1.836 . . . . 0.0 110.536 152.962 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . 0.363 6.0 p90 31.27 -76.41 0.0 OUTLIER 'General case' 0 CA--C 1.549 0.919 0 N-CA-C 118.614 2.82 . . . . 0.0 118.614 -167.43 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.58 -60.79 3.02 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 118.094 2.627 . . . . 0.0 118.094 -144.427 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 38.2 ttp -70.7 -29.34 65.62 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-O 122.318 1.056 . . . . 0.0 112.603 -176.342 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 55.9 mt -85.51 -49.86 7.73 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.994 -174.892 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 44.3 tttp -36.74 -46.85 0.63 Allowed 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 117.909 2.559 . . . . 0.0 117.909 148.497 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.85 -40.46 92.98 Favored 'General case' 0 CA--C 1.553 1.077 0 CA-C-N 122.687 2.494 . . . . 0.0 111.617 171.444 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 35.6 m -62.03 -35.89 79.92 Favored 'General case' 0 CA--C 1.548 0.881 0 CA-C-N 121.173 1.806 . . . . 0.0 114.85 168.44 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -49.15 -48.35 44.94 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 119.163 0.892 . . . . 0.0 111.04 162.073 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.278 6.0 m-30 -75.94 -27.79 57.72 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 114.183 1.179 . . . . 0.0 114.183 -174.732 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -57.97 -40.78 81.47 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 159.988 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.72 -50.83 51.62 Favored Glycine 0 CA--C 1.533 1.207 0 N-CA-C 115.138 0.815 . . . . 0.0 115.138 170.649 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.45 -37.36 72.72 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.07 1.348 . . . . 0.0 113.862 178.974 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -70.58 76.94 0.58 Allowed 'General case' 0 CA--C 1.548 0.894 0 CA-C-O 122.162 0.982 . . . . 0.0 111.086 161.804 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.5 108.69 2.49 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-O 121.986 0.898 . . . . 0.0 112.144 173.83 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 26.9 m120 -100.82 -93.89 0.28 Allowed 'General case' 0 CA--C 1.547 0.83 0 O-C-N 121.732 -0.605 . . . . 0.0 112.385 179.436 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -62.47 -57.57 10.75 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 116.412 2.004 . . . . 0.0 116.412 -160.959 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -153.67 167.04 30.91 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-O 122.205 1.002 . . . . 0.0 113.033 -170.791 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.39 -24.19 67.24 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 115.936 1.828 . . . . 0.0 115.936 179.558 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 86.5 m -88.33 92.0 9.0 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 120.158 1.344 . . . . 0.0 110.012 -175.268 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 76.0 m -55.58 -38.5 69.48 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 114.673 1.36 . . . . 0.0 114.673 -175.0 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -71.13 -9.11 57.51 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 175.736 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -74.77 -56.13 5.11 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 122.068 2.213 . . . . 0.0 109.888 167.016 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.574 ' O ' HD12 ' A' ' 41' ' ' ILE . 32.1 mtm180 -53.1 -49.32 66.7 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 114.553 -1.203 . . . . 0.0 111.225 171.587 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -95.21 16.72 15.84 Favored 'General case' 0 CA--C 1.551 1.003 0 N-CA-C 116.941 2.2 . . . . 0.0 116.941 177.622 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.51 -38.13 65.44 Favored 'General case' 0 CA--C 1.54 0.562 0 O-C-N 119.387 -2.071 . . . . 0.0 111.765 140.644 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 21.6 mmt180 -69.43 -47.68 63.33 Favored 'General case' 0 CA--C 1.553 1.093 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 173.315 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.574 HD12 ' O ' ' A' ' 37' ' ' ARG . 3.5 mp -70.05 87.91 0.25 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.841 0 CA-C-O 127.222 3.391 . . . . 0.0 112.381 164.581 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.63 2.65 55.69 Favored 'General case' 0 CA--C 1.547 0.83 1 CA-C-N 106.694 -4.775 . . . . 0.0 116.218 -171.603 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 76.3 mt -62.23 -42.87 96.95 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.856 0 N-CA-C 114.595 1.331 . . . . 0.0 114.595 -162.644 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -176.87 160.91 28.42 Favored Glycine 0 CA--C 1.544 1.859 0 CA-C-O 117.651 -1.638 . . . . 0.0 115.609 174.795 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -50.93 -46.82 28.54 Favored 'Trans proline' 0 C--N 1.362 1.261 1 C-N-CA 125.385 4.057 . . . . 0.0 116.158 178.471 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -69.91 -27.04 64.45 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 113.178 0.807 . . . . 0.0 113.178 175.431 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.62 -54.2 17.94 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-O 117.589 -1.196 . . . . 0.0 111.125 171.736 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -49.01 -43.42 15.13 Favored 'Isoleucine or valine' 0 C--N 1.352 0.675 0 CA-C-N 120.308 1.413 . . . . 0.0 114.521 167.076 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.7 tttm -60.82 -52.3 65.67 Favored 'General case' 0 CA--C 1.552 1.048 0 N-CA-C 114.351 1.241 . . . . 0.0 114.351 175.416 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.56 -46.4 80.74 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 119.399 0.999 . . . . 0.0 111.467 171.387 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.571 ' CE2' HD13 ' A' ' 41' ' ' ILE . 4.2 t80 -53.87 -59.33 4.77 Favored 'General case' 0 C--N 1.349 0.544 0 C-N-CA 124.587 1.155 . . . . 0.0 111.472 174.884 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.11 -33.06 74.91 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 113.676 0.991 . . . . 0.0 113.676 -177.116 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -64.73 -57.14 9.78 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 120.297 1.408 . . . . 0.0 111.106 172.735 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.7 m -58.5 -42.09 86.86 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 114.415 1.265 . . . . 0.0 114.415 174.688 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 42.7 t -64.19 -39.37 93.84 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 120.047 1.294 . . . . 0.0 113.562 175.671 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -57.38 -51.41 69.52 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 119.939 1.245 . . . . 0.0 112.08 167.843 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 6.6 mt -65.94 -36.09 76.66 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.897 0 N-CA-C 113.056 0.762 . . . . 0.0 113.056 177.986 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.04 -46.64 82.25 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 167.867 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -65.59 -35.83 81.98 Favored 'General case' 0 CA--C 1.547 0.854 0 CA-C-N 119.607 1.094 . . . . 0.0 113.521 171.468 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -58.83 -45.18 90.61 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.058 0.943 . . . . 0.0 112.415 167.741 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 82.8 t -60.58 -43.93 95.67 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.782 0 CA-C-N 119.135 0.88 . . . . 0.0 112.589 170.22 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 26.0 mmt85 -61.53 -33.15 73.34 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 120.486 1.494 . . . . 0.0 114.337 171.568 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.86 -33.64 74.13 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 113.857 1.058 . . . . 0.0 113.857 168.073 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 . . . . . 0 CA--C 1.545 0.774 0 O-C-N 121.358 -0.839 . . . . 0.0 113.122 169.944 . . . . . . . . 0 0 . 1 . 036 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 81.9 mt . . . . . 0 N--CA 1.474 0.741 0 CA-C-O 118.896 -0.573 . . . . 0.0 111.388 . . . . . . . . . 0 0 . 1 . 036 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -62.94 -48.05 80.58 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-O 117.402 -1.285 . . . . 0.0 113.829 172.814 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -54.74 -45.27 74.11 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 115.342 1.608 . . . . 0.0 115.342 179.371 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -138.7 46.93 1.97 Allowed 'General case' 0 N--CA 1.472 0.661 0 CA-C-O 124.532 2.11 . . . . 0.0 111.54 -177.678 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.34 -59.66 4.67 Favored 'General case' 0 CA--C 1.548 0.872 1 N-CA-C 122.605 4.298 . . . . 0.0 122.605 85.556 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.97 -49.41 70.4 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 123.267 2.758 . . . . 0.0 118.049 -168.724 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -68.11 38.3 0.03 OUTLIER 'General case' 0 CA--C 1.556 1.194 0 N-CA-C 116.604 2.075 . . . . 0.0 116.604 -172.72 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -117.91 -131.16 0.31 Allowed 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 126.031 1.733 . . . . 0.0 107.759 170.189 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -99.04 40.72 1.18 Allowed 'General case' 0 CA--C 1.548 0.878 0 O-C-N 119.758 -1.839 . . . . 0.0 111.071 155.533 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 53.94 -86.14 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 126.206 1.802 . . . . 0.0 113.996 -174.345 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.84 -60.67 3.3 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 117.85 2.537 . . . . 0.0 117.85 -143.251 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 34.1 ttm -68.65 -36.19 78.25 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.563 0.745 . . . . 0.0 112.504 -175.35 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -75.12 -51.81 12.53 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 124.551 1.14 . . . . 0.0 111.226 -179.321 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 50.1 tttp -39.9 -47.18 2.14 Favored 'General case' 0 CA--C 1.549 0.912 0 N-CA-C 117.61 2.448 . . . . 0.0 117.61 154.406 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.5 tmtm? -59.34 -40.35 86.08 Favored 'General case' 0 CA--C 1.551 0.998 0 CA-C-N 122.16 2.254 . . . . 0.0 112.568 170.905 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 61.3 m -63.08 -36.97 85.34 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 120.946 1.703 . . . . 0.0 114.468 169.014 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -48.99 -47.64 44.09 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.892 0.877 . . . . 0.0 111.613 162.909 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.283 6.6 m-30 -76.2 -29.59 57.69 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 114.077 1.14 . . . . 0.0 114.077 -174.553 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -57.48 -40.54 78.82 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 112.767 0.654 . . . . 0.0 112.767 160.553 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.24 -50.41 56.67 Favored Glycine 0 CA--C 1.533 1.195 0 N-CA-C 115.242 0.857 . . . . 0.0 115.242 170.005 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.96 -37.35 71.44 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.86 1.264 . . . . 0.0 114.218 179.397 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 70.5 m-85 -71.03 75.42 0.65 Allowed 'General case' 0 CA--C 1.551 1.005 0 CA-C-O 122.095 0.95 . . . . 0.0 112.306 165.426 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.3 tpm_? -71.15 108.99 4.93 Favored 'General case' 0 CA--C 1.551 1.008 0 O-C-N 120.738 -1.227 . . . . 0.0 113.929 173.335 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.4 p-10 -83.08 102.45 11.82 Favored 'General case' 0 CA--C 1.547 0.837 0 O-C-N 120.484 -1.385 . . . . 0.0 111.472 168.099 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -69.34 61.47 0.13 Allowed 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 125.685 1.594 . . . . 0.0 115.218 -173.017 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -137.98 -68.94 0.45 Allowed 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 114.812 -1.086 . . . . 0.0 113.161 177.5 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -74.46 -173.66 1.81 Allowed 'General case' 0 CA--C 1.555 1.147 0 N-CA-C 115.461 1.652 . . . . 0.0 115.461 173.334 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 66.6 p -99.6 148.06 24.71 Favored 'General case' 0 N--CA 1.475 0.808 0 O-C-N 119.554 -1.966 . . . . 0.0 112.96 174.088 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 52.5 t -62.46 -48.72 78.42 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 114.247 1.203 . . . . 0.0 114.247 -173.869 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.3 mp0 -66.89 -32.39 73.61 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.128 0.971 . . . . 0.0 113.471 179.861 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -62.61 -50.78 69.88 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.078 1.351 . . . . 0.0 112.185 169.211 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.592 ' O ' HD12 ' A' ' 41' ' ' ILE . 19.3 ttp180 -54.86 -52.98 61.1 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 114.683 -1.144 . . . . 0.0 111.129 172.937 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -81.12 -2.66 49.25 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 117.28 2.326 . . . . 0.0 117.28 176.095 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.19 -36.36 81.59 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 119.615 -1.928 . . . . 0.0 112.266 152.535 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 49.3 mtt85 -70.52 -38.45 74.25 Favored 'General case' 0 CA--C 1.551 1.019 0 N-CA-C 113.58 0.956 . . . . 0.0 113.58 169.037 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.592 HD12 ' O ' ' A' ' 37' ' ' ARG 0.313 3.4 mp -73.23 84.89 0.46 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.938 0 CA-C-O 127.184 3.373 . . . . 0.0 113.934 170.582 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 32.3 mmtm -92.47 14.71 15.9 Favored 'General case' 0 CA--C 1.547 0.832 1 CA-C-N 107.162 -4.563 . . . . 0.0 116.172 -175.974 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 83.2 mt -65.26 -42.11 93.15 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.933 0 CA-C-N 119.916 1.235 . . . . 0.0 113.695 -171.177 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -178.03 159.94 25.92 Favored Glycine 0 CA--C 1.545 1.957 0 CA-C-O 117.349 -1.806 . . . . 0.0 114.983 173.856 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_exo -51.64 -49.87 15.81 Favored 'Trans proline' 0 C--N 1.361 1.185 0 C-N-CA 125.213 3.942 . . . . 0.0 116.245 179.378 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -68.39 -24.61 64.79 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 113.639 0.978 . . . . 0.0 113.639 174.986 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -71.2 -53.74 13.39 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 117.629 -1.177 . . . . 0.0 110.852 172.966 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -51.0 -40.27 20.54 Favored 'Isoleucine or valine' 0 C--N 1.352 0.692 0 CA-C-N 120.68 1.582 . . . . 0.0 114.494 167.176 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.0 tttm -63.39 -49.81 72.34 Favored 'General case' 0 CA--C 1.555 1.168 0 N-CA-C 114.455 1.28 . . . . 0.0 114.455 173.607 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.28 -44.99 84.48 Favored 'General case' 0 N--CA 1.481 1.075 0 CA-C-N 120.921 1.691 . . . . 0.0 111.152 170.496 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.575 ' CE2' HD13 ' A' ' 41' ' ' ILE . 3.4 t80 -53.61 -60.24 3.57 Favored 'General case' 0 C--N 1.349 0.56 0 C-N-CA 124.53 1.132 . . . . 0.0 111.414 174.087 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -59.49 -40.95 88.68 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 119.482 1.037 . . . . 0.0 113.349 -178.864 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.421 ' O ' HG12 ' A' ' 57' ' ' ILE . 15.2 t70 -60.89 -55.63 30.77 Favored 'General case' 0 CA--C 1.549 0.918 0 CA-C-N 119.938 1.244 . . . . 0.0 112.239 176.226 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.9 m -58.8 -44.93 90.91 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 171.869 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 12.3 t -61.85 -40.38 95.12 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 119.956 1.253 . . . . 0.0 112.82 177.464 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -60.37 -49.97 75.48 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-O 117.499 -1.239 . . . . 0.0 112.289 169.248 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.421 HG12 ' O ' ' A' ' 53' ' ' ASP . 14.5 mm -59.8 -46.38 93.72 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 CA-C-N 120.671 1.578 . . . . 0.0 111.894 176.755 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.65 -50.55 71.74 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.346 1.058 . . . . 0.0 113.472 173.678 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -64.93 -35.95 82.81 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 119.347 0.976 . . . . 0.0 113.285 177.344 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 29.6 tp60 -66.87 -46.55 74.62 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 119.515 1.052 . . . . 0.0 111.946 172.717 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 71.1 t -64.22 -43.22 97.25 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.722 0 O-C-N 121.438 -0.789 . . . . 0.0 112.631 173.976 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 28.2 mmm180 -67.14 -27.21 67.12 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 120.487 1.494 . . . . 0.0 114.822 173.949 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.85 -54.84 11.69 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 120.188 1.358 . . . . 0.0 112.653 164.741 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 . . . . . 0 CA--C 1.55 0.959 0 CA-C-O 122.994 1.378 . . . . 0.0 114.579 -179.216 . . . . . . . . 0 0 . 1 . 037 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.3 mp . . . . . 0 C--O 1.224 -0.259 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.929 . . . . . . . . . 0 0 . 1 . 037 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -63.63 -42.68 98.13 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 123.129 2.695 . . . . 0.0 114.379 169.387 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -55.12 -41.33 71.56 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.782 1.233 . . . . 0.0 114.053 175.855 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -143.97 56.7 1.33 Allowed 'General case' 0 N--CA 1.472 0.665 0 CA-C-O 125.053 2.359 . . . . 0.0 111.491 175.684 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.54 -51.32 70.39 Favored 'General case' 0 CA--C 1.549 0.917 1 N-CA-C 121.858 4.022 . . . . 0.0 121.858 81.165 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.31 -46.64 66.64 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 117.925 2.565 . . . . 0.0 117.925 -173.7 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 30.6 ttmt -51.99 -3.05 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.124 0 N-CA-C 118.615 2.82 . . . . 0.0 118.615 -174.786 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -92.76 -109.9 0.11 Allowed 'General case' 0 CA--C 1.551 0.991 0 O-C-N 119.538 -1.976 . . . . 0.0 109.784 -177.171 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -107.33 43.19 1.2 Allowed 'General case' 0 CA--C 1.547 0.848 0 O-C-N 118.726 -2.484 . . . . 0.0 111.554 160.591 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 56.4 -94.86 0.05 OUTLIER 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 126.124 1.77 . . . . 0.0 114.734 179.056 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.37 -53.63 22.69 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 116.248 1.944 . . . . 0.0 116.248 -155.0 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 35.4 ttm -70.09 -34.11 72.73 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.589 0.756 . . . . 0.0 112.244 -176.81 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -78.42 -45.27 22.7 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.04 0.936 . . . . 0.0 112.599 178.322 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 51.3 tttp -44.16 -43.66 7.22 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 117.432 2.382 . . . . 0.0 117.432 151.823 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.0 tptp -63.77 -33.53 75.87 Favored 'General case' 0 CA--C 1.558 1.267 0 CA-C-N 122.427 2.376 . . . . 0.0 113.321 170.257 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 63.1 m -59.22 -42.42 90.95 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 121.25 1.841 . . . . 0.0 114.206 166.019 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.6 t -48.8 -51.57 28.61 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.814 0.846 . . . . 0.0 110.683 164.285 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.303 5.6 m-30 -73.86 -21.42 60.1 Favored 'General case' 0 CA--C 1.551 1.014 0 N-CA-C 114.314 1.227 . . . . 0.0 114.314 -174.658 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -60.47 -42.68 96.71 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.448 0.699 . . . . 0.0 112.882 158.334 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.28 -47.49 84.17 Favored Glycine 0 CA--C 1.535 1.3 0 N-CA-C 115.219 0.847 . . . . 0.0 115.219 170.109 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.29 -36.46 80.12 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 177.977 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -67.89 93.21 0.39 Allowed 'General case' 0 CA--C 1.55 0.971 0 CA-C-N 119.162 0.892 . . . . 0.0 110.872 163.45 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 66.8 ttt180 -127.61 130.95 49.89 Favored 'General case' 0 CA--C 1.546 0.803 0 O-C-N 120.747 -1.221 . . . . 0.0 113.572 169.109 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 15.1 p30 -98.79 171.6 7.98 Favored 'General case' 0 CA--C 1.552 1.026 0 O-C-N 121.069 -1.019 . . . . 0.0 112.771 162.215 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -59.2 -24.58 63.24 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 116.121 1.897 . . . . 0.0 116.121 -174.165 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -84.26 -27.57 27.8 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 113.909 1.077 . . . . 0.0 113.909 179.692 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -71.15 135.02 47.4 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 114.844 1.424 . . . . 0.0 114.844 -177.394 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 80.4 m -115.26 130.69 56.98 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 120.823 -1.173 . . . . 0.0 110.715 173.225 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 93.0 m -55.12 -59.05 5.29 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 115.588 1.699 . . . . 0.0 115.588 -161.78 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -79.27 -15.01 58.65 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 114.319 1.229 . . . . 0.0 114.319 -178.404 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -67.64 -58.16 5.16 Favored 'General case' 0 C--O 1.242 0.689 0 CA-C-N 119.511 1.051 . . . . 0.0 110.533 167.12 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.62 ' O ' HD12 ' A' ' 41' ' ' ILE . 28.7 ptt180 -66.91 -37.61 84.68 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 117.492 -1.242 . . . . 0.0 111.839 176.568 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . 0.259 . . -89.65 11.03 20.97 Favored 'General case' 0 CA--C 1.55 0.969 0 CA-C-N 122.29 2.313 . . . . 0.0 116.636 172.339 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.13 -41.6 63.8 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 119.228 -2.17 . . . . 0.0 111.769 142.263 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 36.1 ttp-105 -69.45 -40.5 77.15 Favored 'General case' 0 CA--C 1.556 1.211 0 N-CA-C 114.01 1.115 . . . . 0.0 114.01 172.686 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.62 HD12 ' O ' ' A' ' 37' ' ' ARG . 3.3 mp -72.83 83.73 0.41 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.839 0 CA-C-O 127.021 3.296 . . . . 0.0 112.011 160.896 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -100.43 19.14 17.31 Favored 'General case' 0 CA--C 1.548 0.884 1 CA-C-N 107.442 -4.435 . . . . 0.0 115.225 -174.817 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 81.0 mt -66.11 -41.13 88.89 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.866 0 C-N-CA 124.095 0.958 . . . . 0.0 113.492 -171.292 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -174.14 158.97 28.02 Favored Glycine 0 CA--C 1.544 1.899 0 CA-C-O 117.617 -1.657 . . . . 0.0 115.402 174.825 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -51.31 -46.1 33.3 Favored 'Trans proline' 0 C--N 1.361 1.202 0 C-N-CA 125.297 3.998 . . . . 0.0 116.068 176.924 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 57.9 mtmt -67.7 -28.54 67.76 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.946 0.898 . . . . 0.0 113.042 175.314 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 47.2 t -70.23 -54.62 11.98 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-O 117.188 -1.386 . . . . 0.0 110.852 173.684 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -49.94 -42.46 18.88 Favored 'Isoleucine or valine' 0 C--N 1.352 0.683 0 CA-C-N 120.605 1.548 . . . . 0.0 114.65 167.907 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 32.5 tttm -62.74 -52.56 62.75 Favored 'General case' 0 CA--C 1.551 0.986 0 CA-C-O 117.441 -1.266 . . . . 0.0 113.72 173.133 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.22 -44.11 75.12 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 121.192 1.815 . . . . 0.0 111.162 173.334 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.562 ' CE2' HD13 ' A' ' 41' ' ' ILE . 3.2 t80 -55.13 -55.02 35.82 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.719 1.208 . . . . 0.0 112.22 172.956 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 18.4 tppt? -63.75 -39.94 95.49 Favored 'General case' 0 CA--C 1.55 0.961 0 CA-C-N 119.685 1.13 . . . . 0.0 113.793 179.03 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -53.95 -57.44 11.0 Favored 'General case' 0 CA--C 1.554 1.123 0 CA-C-N 120.466 1.485 . . . . 0.0 112.798 170.465 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 5.9 m -61.18 -34.34 74.9 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 115.702 1.741 . . . . 0.0 115.702 170.973 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -66.55 -34.27 77.53 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 121.065 1.757 . . . . 0.0 112.322 171.596 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -58.84 -47.07 86.15 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-O 116.576 -1.678 . . . . 0.0 112.852 164.239 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.481 1.9 pp -70.54 -28.27 34.12 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 CA-C-N 122.987 2.63 . . . . 0.0 115.353 171.75 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.73 -42.78 84.57 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 121.646 2.021 . . . . 0.0 112.549 168.032 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -62.24 -46.51 88.51 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 113.335 0.865 . . . . 0.0 113.335 168.381 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -59.78 -46.72 88.3 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 119.379 0.99 . . . . 0.0 112.914 174.48 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 71.5 t -62.79 -42.46 96.4 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.637 0 CA-C-O 117.966 -1.016 . . . . 0.0 112.35 173.833 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 25.3 tpt85 -69.24 -31.37 69.88 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-N 121.199 1.818 . . . . 0.0 114.194 174.665 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.88 -33.57 74.98 Favored 'General case' 0 CA--C 1.547 0.858 0 O-C-N 120.165 -1.584 . . . . 0.0 113.677 167.597 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 . . . . . 0 CA--C 1.548 0.884 0 C-N-CA 124.593 1.157 . . . . 0.0 113.165 171.991 . . . . . . . . 0 0 . 1 . 038 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 5.8 mt . . . . . 0 N--CA 1.481 1.093 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 . . . . . . . . . 0 0 . 1 . 038 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -60.13 -62.37 1.92 Allowed 'General case' 0 CA--C 1.543 0.682 0 CA-C-O 117.683 -1.151 . . . . 0.0 111.99 170.95 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -71.95 -23.19 61.41 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 122.494 2.406 . . . . 0.0 115.714 -176.034 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -95.78 -24.47 16.47 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 121.004 1.729 . . . . 0.0 113.527 175.4 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -107.73 21.89 16.76 Favored 'General case' 0 CA--C 1.555 1.137 0 N-CA-C 121.723 3.971 . . . . 0.0 121.723 160.195 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.92 21.65 0.0 OUTLIER 'General case' 0 CA--C 1.558 1.273 0 N-CA-C 121.168 3.766 . . . . 0.0 121.168 -178.934 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 80.0 tttt 51.98 57.01 6.96 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 126.81 2.044 . . . . 0.0 111.776 -173.383 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.1 p90 -125.97 -137.77 0.27 Allowed 'General case' 0 CA--C 1.551 0.996 0 CA-C-N 113.876 -1.511 . . . . 0.0 111.651 -159.184 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -76.14 -52.94 9.05 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.998 1.319 . . . . 0.0 112.857 -177.189 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -89.69 69.48 7.72 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-O 123.986 1.85 . . . . 0.0 112.302 -172.844 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.52 -39.32 90.6 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 111.46 -2.609 . . . . 0.0 115.182 -178.987 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 46.4 ttp -67.84 -31.81 71.9 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 123.891 0.876 . . . . 0.0 112.735 175.666 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -80.11 -40.22 27.96 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.449 1.1 . . . . 0.0 112.825 177.554 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 46.0 tttp -49.08 -43.53 41.16 Favored 'General case' 0 CA--C 1.552 1.024 0 N-CA-C 114.61 1.337 . . . . 0.0 114.61 153.619 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -66.99 -25.59 66.39 Favored 'General case' 0 CA--C 1.56 1.329 0 O-C-N 119.493 -2.004 . . . . 0.0 112.859 171.73 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 56.7 m -62.64 -41.37 99.0 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 121.39 1.905 . . . . 0.0 114.51 161.436 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -48.08 -49.98 29.77 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 118.748 0.703 . . . . 0.0 110.654 162.115 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.318 4.1 m-30 -76.34 -17.87 59.19 Favored 'General case' 0 CA--C 1.551 1.018 0 N-CA-C 114.656 1.354 . . . . 0.0 114.656 -176.024 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -61.09 -45.36 95.02 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-N 119.992 1.269 . . . . 0.0 113.203 154.864 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.76 -45.42 94.89 Favored Glycine 0 CA--C 1.534 1.249 0 CA-C-O 119.284 -0.731 . . . . 0.0 114.217 171.809 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.59 -46.08 84.23 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 113.746 1.017 . . . . 0.0 113.746 173.7 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 23.3 t80 -77.49 73.97 4.06 Favored 'General case' 0 CA--C 1.552 1.022 0 CA-C-O 123.863 1.792 . . . . 0.0 111.123 172.4 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 21.0 ttt-85 -74.46 123.01 23.93 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 113.48 -1.691 . . . . 0.0 114.278 -178.4 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -148.52 -73.06 0.19 Allowed 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 115.709 1.744 . . . . 0.0 115.709 -175.196 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -67.06 0.33 2.69 Favored 'General case' 0 CA--C 1.553 1.063 0 N-CA-C 118.88 2.919 . . . . 0.0 118.88 -166.249 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -161.48 152.76 18.62 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 121.346 1.885 . . . . 0.0 112.809 173.905 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -69.01 -36.02 77.33 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 114.121 1.156 . . . . 0.0 114.121 168.311 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 12.1 t -113.33 137.34 51.64 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 123.1 2.682 . . . . 0.0 114.021 -177.099 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 84.2 m -63.71 -47.68 80.16 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 115.676 1.732 . . . . 0.0 115.676 -166.066 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.28 -28.11 61.05 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-O 117.811 -1.09 . . . . 0.0 113.827 -175.506 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.36 -45.48 69.26 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 121.528 1.967 . . . . 0.0 110.471 170.154 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.579 ' O ' HD12 ' A' ' 41' ' ' ILE . 34.0 ttt180 -53.61 -53.8 46.63 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.97 0.908 . . . . 0.0 111.261 171.14 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -85.9 6.13 29.79 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 116.994 2.22 . . . . 0.0 116.994 175.824 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.35 -32.2 64.39 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 119.519 -1.988 . . . . 0.0 112.663 149.073 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 63.4 mtt180 -67.95 -42.4 81.02 Favored 'General case' 0 CA--C 1.55 0.969 0 CA-C-N 118.988 0.813 . . . . 0.0 111.993 167.583 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.579 HD12 ' O ' ' A' ' 37' ' ' ARG 0.277 3.4 mp -76.81 85.17 0.79 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.913 0 CA-C-O 126.944 3.259 . . . . 0.0 113.538 170.467 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 60.0 mtpt -84.5 0.66 48.96 Favored 'General case' 0 CA--C 1.545 0.765 1 CA-C-N 107.549 -4.387 . . . . 0.0 116.631 -173.284 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 75.2 mt -63.36 -41.57 93.21 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.921 0 N-CA-C 114.719 1.377 . . . . 0.0 114.719 -163.698 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 177.78 168.5 37.47 Favored Glycine 0 CA--C 1.546 1.986 0 CA-C-N 120.801 1.637 . . . . 0.0 116.628 174.389 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_exo -51.86 -52.55 8.72 Favored 'Trans proline' 0 C--N 1.363 1.315 1 C-N-CA 125.323 4.015 . . . . 0.0 115.862 176.404 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 14.0 mmmt -54.98 -35.8 64.71 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.58 1.152 . . . . 0.0 113.717 171.274 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 45.1 t -67.17 -59.98 2.99 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 116.569 -1.681 . . . . 0.0 110.804 177.058 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -48.59 -43.39 13.36 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 CA-C-N 120.944 1.702 . . . . 0.0 115.512 171.14 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.7 mtpm? -60.18 -57.09 14.29 Favored 'General case' 0 CA--C 1.552 1.031 0 N-CA-C 115.256 1.576 . . . . 0.0 115.256 174.414 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.21 -46.84 72.57 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 124.033 0.933 . . . . 0.0 110.626 172.405 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.577 ' CE2' HD13 ' A' ' 41' ' ' ILE . 3.4 t80 -54.73 -54.36 42.88 Favored 'General case' 0 C--N 1.349 0.582 0 C-N-CA 124.734 1.214 . . . . 0.0 112.124 174.464 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 8.0 tptp -61.84 -40.91 96.98 Favored 'General case' 0 C--O 1.242 0.693 0 N-CA-C 114.235 1.198 . . . . 0.0 114.235 -176.742 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -71.77 -41.32 68.51 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 114.289 1.218 . . . . 0.0 114.289 175.242 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 4.6 m -61.92 -35.02 77.16 Favored 'General case' 0 CA--C 1.549 0.923 0 N-CA-C 114.509 1.3 . . . . 0.0 114.509 166.484 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 5.7 t -63.78 -34.91 78.96 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 120.884 1.675 . . . . 0.0 112.469 171.16 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -59.08 -52.22 66.69 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-O 116.481 -1.723 . . . . 0.0 113.298 164.123 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.417 1.8 pp -69.1 -27.14 34.01 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 CA-C-N 122.93 2.605 . . . . 0.0 115.065 175.998 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.3 -47.64 84.64 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.826 0.85 . . . . 0.0 112.484 168.565 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 53.9 m-80 -63.61 -35.73 81.46 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 171.023 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -62.01 -52.68 63.0 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-O 117.294 -1.336 . . . . 0.0 113.414 169.539 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 33.6 m -68.2 -24.63 30.18 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 CA-C-N 121.862 2.119 . . . . 0.0 114.151 176.608 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 15.8 ttp85 -65.56 -43.47 89.76 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 119.614 1.097 . . . . 0.0 112.721 166.614 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -80.71 -52.39 7.6 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 114.636 1.347 . . . . 0.0 114.636 175.116 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 . . . . . 0 CA--C 1.549 0.912 0 CA-C-O 123.267 1.508 . . . . 0.0 112.816 -173.906 . . . . . . . . 0 0 . 1 . 039 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 5.2 mp . . . . . 0 N--CA 1.483 1.178 0 CA-C-O 118.815 -0.612 . . . . 0.0 110.358 . . . . . . . . . 0 0 . 1 . 039 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.3 tm-20 -57.83 -45.9 85.49 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-O 117.956 -1.021 . . . . 0.0 112.463 174.152 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -63.45 -44.88 93.22 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 122.257 2.299 . . . . 0.0 114.305 174.005 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.434 ' O ' ' HE1' ' A' ' 13' ' ' TYR . 7.0 mm-40 -73.18 -39.29 65.72 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 114.395 1.257 . . . . 0.0 114.395 177.221 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -106.12 43.42 1.14 Allowed 'General case' 0 CA--C 1.55 0.95 0 N-CA-C 119.692 3.219 . . . . 0.0 119.692 163.56 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.71 20.09 0.01 OUTLIER 'General case' 0 CA--C 1.557 1.234 0 N-CA-C 118.557 2.799 . . . . 0.0 118.557 168.141 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt 44.49 55.77 5.5 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 127.258 2.223 . . . . 0.0 113.97 -172.978 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.434 ' HE1' ' O ' ' A' ' 9' ' ' GLU . 1.7 p90 -122.25 -129.27 0.27 Allowed 'General case' 0 CA--C 1.551 0.998 0 CA-C-N 114.2 -1.363 . . . . 0.0 112.782 -156.157 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 34.0 mtpt -76.3 -52.76 9.32 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 120.404 -1.435 . . . . 0.0 112.555 -177.686 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 36.9 m-85 -89.94 72.39 7.47 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-O 123.546 1.641 . . . . 0.0 112.5 -167.72 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.96 -42.91 81.01 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 111.634 -2.53 . . . . 0.0 115.157 -178.178 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 34.8 ttm -68.81 -28.79 67.08 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.291 1.036 . . . . 0.0 112.651 176.027 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 45.3 mt -92.17 -35.4 13.87 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 121.164 -0.96 . . . . 0.0 111.788 -173.862 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.02 -30.04 68.89 Favored 'General case' 0 CA--C 1.552 1.024 0 O-C-N 119.785 -1.822 . . . . 0.0 114.328 153.341 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.3 tmtm? -65.73 -34.24 77.73 Favored 'General case' 0 CA--C 1.553 1.09 0 CA-C-N 122.632 2.469 . . . . 0.0 111.739 165.933 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 67.8 m -56.22 -41.01 74.96 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 121.471 1.942 . . . . 0.0 114.24 163.754 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -49.46 -53.2 24.29 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 118.618 0.644 . . . . 0.0 110.875 161.576 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.292 6.8 m-30 -74.29 -19.71 60.38 Favored 'General case' 0 CA--C 1.551 1.01 0 N-CA-C 114.783 1.401 . . . . 0.0 114.783 -174.903 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -61.11 -45.46 94.6 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.843 0.857 . . . . 0.0 112.582 157.02 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.24 -44.01 97.9 Favored Glycine 0 CA--C 1.534 1.262 0 C-N-CA 123.778 0.704 . . . . 0.0 114.77 171.269 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.03 -41.15 97.53 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 113.304 0.853 . . . . 0.0 113.304 173.948 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -71.56 76.02 0.8 Allowed 'General case' 0 CA--C 1.551 1.013 0 CA-C-O 123.568 1.651 . . . . 0.0 111.137 168.565 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -104.2 81.12 1.79 Allowed 'General case' 0 CA--C 1.544 0.72 0 CA-C-O 123.301 1.524 . . . . 0.0 110.401 173.248 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -125.56 -34.39 2.67 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 114.772 -1.103 . . . . 0.0 113.397 175.116 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.62 -67.56 0.37 Allowed 'General case' 0 CA--C 1.548 0.885 0 N-CA-C 115.537 1.68 . . . . 0.0 115.537 174.031 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -118.97 136.58 54.02 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 120.264 1.393 . . . . 0.0 111.643 177.663 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -60.54 -49.4 77.71 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 114.979 1.474 . . . . 0.0 114.979 176.322 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 25.6 m -81.25 109.52 15.86 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.498 0.719 . . . . 0.0 112.148 -175.52 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 66.8 m -56.04 -47.92 76.96 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.174 1.39 . . . . 0.0 114.711 -178.453 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -66.16 -31.05 71.67 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 113.814 1.042 . . . . 0.0 113.814 -178.397 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -66.66 -55.35 15.59 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 120.367 1.439 . . . . 0.0 110.546 175.777 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.633 ' O ' HD12 ' A' ' 41' ' ' ILE . 11.9 ptt180 -64.85 -39.26 93.27 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-O 118.249 -0.881 . . . . 0.0 111.824 177.352 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -84.58 1.47 45.82 Favored 'General case' 0 CA--C 1.548 0.882 0 N-CA-C 116.579 2.066 . . . . 0.0 116.579 172.986 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -72.95 -33.61 66.01 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 119.58 -1.95 . . . . 0.0 112.407 147.459 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 38.4 mtm105 -71.36 -40.44 70.63 Favored 'General case' 0 CA--C 1.553 1.089 0 N-CA-C 114.308 1.225 . . . . 0.0 114.308 168.165 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.633 HD12 ' O ' ' A' ' 37' ' ' ARG 0.293 3.3 mp -70.41 89.57 0.3 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.926 0 CA-C-O 126.464 3.031 . . . . 0.0 113.153 167.848 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -81.18 -17.33 50.09 Favored 'General case' 0 CA--C 1.542 0.647 1 CA-C-N 107.806 -4.27 . . . . 0.0 117.104 -174.804 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 69.2 mt -53.32 -41.29 43.29 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.94 0 N-CA-C 116.031 1.863 . . . . 0.0 116.031 -154.56 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -177.26 162.85 31.15 Favored Glycine 0 CA--C 1.544 1.882 0 CA-C-O 117.678 -1.623 . . . . 0.0 115.532 174.814 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_exo -52.31 -47.53 26.46 Favored 'Trans proline' 0 C--N 1.36 1.159 0 C-N-CA 125.202 3.934 . . . . 0.0 115.948 176.526 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 22.7 tptp -62.42 -34.3 76.48 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 124.989 1.316 . . . . 0.0 112.286 173.606 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 45.8 t -66.06 -59.01 4.21 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 117.736 -1.126 . . . . 0.0 111.41 174.144 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -53.21 -38.06 29.8 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 N-CA-C 115.248 1.573 . . . . 0.0 115.248 172.208 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.6 ttpp -62.42 -52.42 63.63 Favored 'General case' 0 CA--C 1.552 1.05 0 N-CA-C 114.279 1.214 . . . . 0.0 114.279 173.727 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.78 -48.6 69.63 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.637 1.175 . . . . 0.0 112.097 168.421 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.58 ' CE2' HD13 ' A' ' 41' ' ' ILE . 3.2 t80 -54.31 -53.57 52.0 Favored 'General case' 0 C--N 1.347 0.474 0 C-N-CA 124.763 1.225 . . . . 0.0 111.872 175.768 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.401 ' O ' ' HD1' ' A' ' 56' ' ' TYR . 12.6 mptt -60.5 -42.22 95.92 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 113.819 1.044 . . . . 0.0 113.819 178.333 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -61.57 -49.46 76.55 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 120.492 1.496 . . . . 0.0 113.574 175.308 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 16.4 m -65.36 -32.94 74.84 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 114.91 1.448 . . . . 0.0 114.91 171.828 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.04 -30.98 71.61 Favored 'General case' 0 CA--C 1.546 0.816 0 O-C-N 120.022 -1.674 . . . . 0.0 112.509 168.772 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.401 ' HD1' ' O ' ' A' ' 52' ' ' LYS . 22.6 m-85 -63.19 -43.4 98.29 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-O 115.727 -2.082 . . . . 0.0 113.753 163.759 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.473 2.2 pp -67.47 -29.46 45.62 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 CA-C-N 124.555 3.343 . . . . 0.0 114.796 169.451 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.69 -39.06 90.1 Favored 'General case' 0 CA--C 1.55 0.947 0 CA-C-N 120.229 1.377 . . . . 0.0 113.361 166.857 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 28.9 m-80 -67.73 -38.75 83.98 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 114.477 1.288 . . . . 0.0 114.477 166.782 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -61.0 -36.38 79.33 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 120.543 1.52 . . . . 0.0 113.239 169.147 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 91.1 t -64.36 -42.92 96.8 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.826 0 CA-C-N 120.729 1.604 . . . . 0.0 112.855 167.602 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 40.0 ttp180 -64.45 -44.37 91.32 Favored 'General case' 0 CA--C 1.55 0.945 0 N-CA-C 114.172 1.175 . . . . 0.0 114.172 172.796 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -98.05 -37.17 9.86 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 117.189 2.292 . . . . 0.0 117.189 -177.568 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 . . . . . 0 N--CA 1.473 0.723 0 CA-C-N 122.386 2.357 . . . . 0.0 114.601 -166.053 . . . . . . . . 0 0 . 1 . 040 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.6 mp . . . . . 0 N--CA 1.484 1.259 0 CA-C-O 119.052 -0.499 . . . . 0.0 109.92 . . . . . . . . . 0 0 . 1 . 040 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -56.84 -46.17 81.89 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 175.491 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -68.41 -43.97 76.06 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 120.497 1.499 . . . . 0.0 114.237 177.634 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.424 ' O ' ' HE1' ' A' ' 13' ' ' TYR . 65.7 mm-40 -78.67 -27.18 45.13 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 120.17 1.35 . . . . 0.0 113.446 176.374 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -104.9 25.4 10.51 Favored 'General case' 0 CA--C 1.553 1.067 0 N-CA-C 121.766 3.988 . . . . 0.0 121.766 162.669 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.23 17.56 0.0 OUTLIER 'General case' 0 CA--C 1.557 1.235 0 N-CA-C 120.823 3.638 . . . . 0.0 120.823 176.94 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? 51.18 56.23 8.29 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 126.812 2.045 . . . . 0.0 111.531 -173.831 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.424 ' HE1' ' O ' ' A' ' 9' ' ' GLU . 4.9 p90 -120.97 -141.44 0.34 Allowed 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 113.981 -1.463 . . . . 0.0 111.274 -159.64 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.1 tptp -76.34 -36.33 58.28 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 120.686 -1.259 . . . . 0.0 113.356 -176.271 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -106.74 72.36 0.9 Allowed 'General case' 0 CA--C 1.546 0.812 0 CA-C-O 124.425 2.06 . . . . 0.0 112.912 -175.012 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.67 -37.86 88.05 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 111.159 -2.746 . . . . 0.0 114.822 179.666 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.9 mpp? -67.17 -31.76 72.4 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 123.871 0.868 . . . . 0.0 113.114 175.146 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -78.73 -39.79 35.31 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.326 1.05 . . . . 0.0 112.671 176.634 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.2 tttt -51.56 -44.66 62.79 Favored 'General case' 0 CA--C 1.552 1.028 0 N-CA-C 114.943 1.46 . . . . 0.0 114.943 155.412 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.2 tmtm? -62.34 -31.3 71.91 Favored 'General case' 0 CA--C 1.552 1.03 0 O-C-N 119.725 -1.859 . . . . 0.0 111.825 170.759 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 12.8 t -63.01 -38.03 89.55 Favored 'General case' 0 CA--C 1.555 1.142 0 CA-C-N 120.896 1.68 . . . . 0.0 114.268 166.935 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.4 t -48.22 -51.99 22.96 Favored 'General case' 0 N--CA 1.481 1.102 0 CA-C-N 119.237 0.926 . . . . 0.0 110.476 159.933 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.296 5.9 m-30 -73.9 -22.97 59.51 Favored 'General case' 0 CA--C 1.55 0.965 0 N-CA-C 114.34 1.237 . . . . 0.0 114.34 -175.646 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -61.27 -35.17 76.57 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 113.509 0.929 . . . . 0.0 113.509 158.87 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.97 -41.98 53.48 Favored Glycine 0 CA--C 1.534 1.267 0 N-CA-C 115.372 0.909 . . . . 0.0 115.372 167.735 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.58 -40.95 96.47 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 114.22 1.193 . . . . 0.0 114.22 177.569 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -73.17 63.58 0.71 Allowed 'General case' 0 CA--C 1.55 0.953 0 CA-C-O 123.51 1.624 . . . . 0.0 113.366 172.757 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 64.4 ttt180 -100.41 127.8 46.65 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 114.296 -1.32 . . . . 0.0 111.177 177.313 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 17.2 m-80 -114.76 -112.21 0.34 Allowed 'General case' 0 CA--C 1.552 1.028 0 O-C-N 120.926 -1.109 . . . . 0.0 110.302 -178.924 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -76.19 31.12 0.12 Allowed 'General case' 0 CA--C 1.555 1.15 0 O-C-N 119.145 -2.222 . . . . 0.0 114.575 172.099 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -93.12 101.22 13.52 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 120.126 -1.608 . . . . 0.0 110.935 -171.997 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -64.34 -45.13 89.18 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 115.653 1.723 . . . . 0.0 115.653 -177.454 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 38.8 m -125.28 108.73 12.01 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 119.912 1.233 . . . . 0.0 111.773 -175.191 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 60.5 m -61.29 -44.27 97.5 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 114.635 1.346 . . . . 0.0 114.635 -176.868 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . 0.261 0.9 OUTLIER -73.89 -6.74 49.03 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 115.005 1.483 . . . . 0.0 115.005 178.941 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -78.69 -51.01 10.44 Favored 'General case' 0 CA--C 1.548 0.88 0 CA-C-N 121.277 1.853 . . . . 0.0 110.059 166.146 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.545 ' O ' HD12 ' A' ' 41' ' ' ILE . 45.4 ttt180 -55.94 -46.42 78.51 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 114.765 -1.107 . . . . 0.0 111.475 169.326 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . 0.258 . . -92.12 16.68 10.82 Favored 'General case' 0 CA--C 1.55 0.968 0 N-CA-C 116.964 2.209 . . . . 0.0 116.964 171.285 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -74.4 -38.97 62.96 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 118.939 -2.351 . . . . 0.0 112.152 140.31 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 78.3 mtt85 -68.23 -44.4 75.8 Favored 'General case' 0 CA--C 1.55 0.963 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 171.111 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.545 HD12 ' O ' ' A' ' 37' ' ' ARG . 3.4 mp -73.08 83.62 0.43 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.902 0 CA-C-O 127.055 3.312 . . . . 0.0 112.012 162.12 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 62.1 pttt -98.52 10.8 40.11 Favored 'General case' 0 CA--C 1.546 0.812 1 CA-C-N 107.45 -4.432 . . . . 0.0 115.635 -173.207 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 64.6 mt -66.46 -39.99 85.39 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.876 0 N-CA-C 114.087 1.143 . . . . 0.0 114.087 -165.656 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -173.96 166.81 39.09 Favored Glycine 0 CA--C 1.547 2.057 0 CA-C-N 120.69 1.586 . . . . 0.0 116.965 175.85 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_exo -53.69 -49.62 16.61 Favored 'Trans proline' 0 C--N 1.361 1.22 0 C-N-CA 125.248 3.965 . . . . 0.0 115.882 174.48 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.0 mtpp -59.62 -32.82 70.77 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 171.596 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 15.0 t -67.21 -61.04 2.11 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 116.899 -1.524 . . . . 0.0 109.905 176.375 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -49.74 -40.19 15.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 CA-C-N 121.066 1.757 . . . . 0.0 115.094 171.306 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -63.91 -55.25 24.01 Favored 'General case' 0 CA--C 1.548 0.885 0 CA-C-O 117.217 -1.373 . . . . 0.0 113.523 172.634 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.49 -47.08 63.34 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 120.979 1.718 . . . . 0.0 110.714 172.562 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.513 ' CE2' HD13 ' A' ' 41' ' ' ILE . 3.3 t80 -56.01 -54.71 41.58 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.112 1.365 . . . . 0.0 112.932 175.198 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 55.4 tptt -63.66 -36.83 85.13 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 118.979 0.808 . . . . 0.0 113.014 -179.666 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -65.28 -48.16 74.16 Favored 'General case' 0 CA--C 1.549 0.904 0 O-C-N 120.992 -1.067 . . . . 0.0 112.706 174.788 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 8.8 m -64.09 -31.24 72.36 Favored 'General case' 0 CA--C 1.55 0.957 0 N-CA-C 114.818 1.414 . . . . 0.0 114.818 169.938 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 53.2 t -58.16 -42.61 86.36 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 121.033 1.742 . . . . 0.0 112.395 163.786 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -58.41 -45.97 87.36 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-O 116.8 -1.571 . . . . 0.0 113.802 169.587 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.479 2.1 pp -69.81 -28.16 35.92 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 CA-C-N 123.015 2.643 . . . . 0.0 115.259 171.544 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.71 -39.85 86.0 Favored 'General case' 0 CA--C 1.551 0.999 0 CA-C-N 120.864 1.665 . . . . 0.0 113.274 167.218 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 -64.86 -41.72 95.45 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 113.647 0.98 . . . . 0.0 113.647 167.779 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 26.8 tp60 -62.48 -38.95 91.82 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 123.471 0.708 . . . . 0.0 112.905 174.528 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 78.6 t -61.79 -42.68 95.42 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.811 0 CA-C-N 118.858 0.753 . . . . 0.0 112.707 168.582 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 58.5 mtt85 -61.0 -36.29 79.1 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 114.619 1.34 . . . . 0.0 114.619 170.261 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.1 -58.44 3.56 Favored 'General case' 0 CA--C 1.546 0.821 0 CA-C-N 119.278 0.945 . . . . 0.0 113.29 169.544 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 . . . . . 0 CA--C 1.547 0.839 0 CA-C-O 123.238 1.494 . . . . 0.0 113.931 -177.164 . . . . . . . . 0 0 . 1 . 041 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.7 mp . . . . . 0 N--CA 1.481 1.102 0 CA-C-O 118.978 -0.534 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 041 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -57.43 -52.51 65.06 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-O 117.619 -1.181 . . . . 0.0 112.423 173.639 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.96 -16.04 63.14 Favored 'General case' 0 CA--C 1.55 0.96 0 CA-C-N 122.927 2.603 . . . . 0.0 115.262 177.152 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -89.97 -38.03 13.93 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 115.859 1.8 . . . . 0.0 115.859 166.503 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -105.82 26.12 10.01 Favored 'General case' 0 CA--C 1.553 1.06 1 N-CA-C 121.93 4.048 . . . . 0.0 121.93 169.296 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.56 27.07 0.0 OUTLIER 'General case' 0 CA--C 1.556 1.176 0 N-CA-C 120.542 3.534 . . . . 0.0 120.542 -177.21 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 98.9 mttt 51.33 47.45 24.82 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 126.65 1.98 . . . . 0.0 112.976 -174.803 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 5.0 p90 -117.54 -146.52 0.4 Allowed 'General case' 0 CA--C 1.549 0.92 0 CA-C-N 115.033 -0.985 . . . . 0.0 111.962 -156.401 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -72.02 -44.23 63.73 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.248 1.419 . . . . 0.0 112.125 -174.551 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -97.98 70.64 2.13 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-O 124.093 1.901 . . . . 0.0 112.691 -177.981 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.77 -35.06 75.48 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 111.377 -2.647 . . . . 0.0 114.014 176.165 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 47.4 mtm -66.6 -32.46 73.8 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.358 1.063 . . . . 0.0 113.139 173.865 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 47.1 mt -87.85 -35.99 17.46 Favored 'General case' 0 CA--C 1.542 0.643 0 O-C-N 121.67 -0.644 . . . . 0.0 111.295 -177.909 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 46.9 tttp -48.7 -43.26 36.96 Favored 'General case' 0 CA--C 1.553 1.088 0 N-CA-C 115.087 1.514 . . . . 0.0 115.087 150.303 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.58 -25.77 66.79 Favored 'General case' 0 CA--C 1.557 1.246 0 O-C-N 118.816 -2.428 . . . . 0.0 112.967 170.399 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 92.8 m -62.18 -40.33 95.66 Favored 'General case' 0 N--CA 1.478 0.929 0 O-C-N 119.555 -1.966 . . . . 0.0 114.226 161.04 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -49.45 -52.85 26.28 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 118.913 0.779 . . . . 0.0 110.807 162.521 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.25 3.9 m-30 -73.06 -26.12 61.17 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 113.956 1.095 . . . . 0.0 113.956 -174.733 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.99 -36.74 75.4 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.503 1.121 . . . . 0.0 113.461 161.275 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -74.56 -39.36 41.69 Favored Glycine 0 CA--C 1.533 1.214 0 N-CA-C 115.7 1.04 . . . . 0.0 115.7 168.244 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.96 -41.95 97.43 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 114.493 1.294 . . . . 0.0 114.493 177.953 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 77.7 m-85 -73.72 70.37 1.38 Allowed 'General case' 0 CA--C 1.55 0.947 0 CA-C-O 123.032 1.396 . . . . 0.0 112.879 173.882 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.7 ttp180 -123.14 147.55 46.69 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-N 115.176 -0.92 . . . . 0.0 112.815 -179.644 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 21.7 m-80 -113.68 -134.17 0.35 Allowed 'General case' 0 CA--C 1.553 1.078 0 O-C-N 120.785 -1.197 . . . . 0.0 110.996 -178.629 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -70.66 5.12 2.02 Favored 'General case' 0 CA--C 1.548 0.897 0 O-C-N 119.39 -2.069 . . . . 0.0 115.794 166.431 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.4 p-10 -80.79 66.73 6.42 Favored 'General case' 0 CA--C 1.551 0.984 0 O-C-N 119.471 -2.018 . . . . 0.0 111.943 174.228 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -56.89 -16.87 7.6 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 116.311 1.967 . . . . 0.0 116.311 -177.474 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 17.8 p -82.11 70.59 9.06 Favored 'General case' 0 CA--C 1.543 0.684 0 O-C-N 119.802 -1.811 . . . . 0.0 112.48 -178.22 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 57.1 m -57.63 -44.1 85.32 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 113.09 -1.868 . . . . 0.0 114.342 -176.96 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 46.2 mp0 -70.07 -23.89 63.15 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 113.545 0.943 . . . . 0.0 113.545 177.61 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -71.57 -53.1 14.87 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 119.373 0.988 . . . . 0.0 110.859 170.866 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.596 ' O ' HD12 ' A' ' 41' ' ' ILE . 55.4 ttt180 -54.87 -48.73 72.58 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 114.516 -1.22 . . . . 0.0 111.309 171.761 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -89.48 11.22 20.01 Favored 'General case' 0 CA--C 1.552 1.045 0 N-CA-C 117.082 2.253 . . . . 0.0 117.082 174.432 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.8 -38.94 64.44 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 119.149 -2.219 . . . . 0.0 111.802 145.783 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 34.0 mtp180 -66.81 -43.6 83.4 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 113.061 0.763 . . . . 0.0 113.061 169.6 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.596 HD12 ' O ' ' A' ' 37' ' ' ARG . 3.5 mp -75.47 82.5 0.61 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.844 0 CA-C-O 127.093 3.33 . . . . 0.0 112.52 164.104 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.42 22.81 11.1 Favored 'General case' 0 CA--C 1.548 0.891 1 CA-C-N 107.673 -4.33 . . . . 0.0 114.883 -174.39 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 46.6 mm -71.41 -44.24 72.01 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 O-C-N 121.15 -0.969 . . . . 0.0 113.467 -169.344 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -173.05 164.03 35.89 Favored Glycine 0 CA--C 1.545 1.95 0 CA-C-O 118.051 -1.416 . . . . 0.0 116.038 176.916 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_exo -52.95 -50.68 13.22 Favored 'Trans proline' 0 C--N 1.361 1.223 0 C-N-CA 125.238 3.958 . . . . 0.0 116.395 178.35 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 38.5 tttm -68.87 -25.04 64.42 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 123.267 0.627 . . . . 0.0 111.83 175.938 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 43.9 t -65.54 -60.0 3.39 Favored 'General case' 0 C--N 1.349 0.58 0 CA-C-O 117.707 -1.14 . . . . 0.0 111.11 171.097 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -50.52 -41.05 19.6 Favored 'Isoleucine or valine' 0 C--N 1.352 0.694 0 N-CA-C 114.678 1.362 . . . . 0.0 114.678 170.291 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.09 -47.87 75.7 Favored 'General case' 0 CA--C 1.554 1.115 0 N-CA-C 115.278 1.585 . . . . 0.0 115.278 174.318 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.33 -46.43 79.92 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 120.519 1.509 . . . . 0.0 111.067 168.206 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.563 ' CE2' HD13 ' A' ' 41' ' ' ILE . 3.4 t80 -54.63 -52.38 62.45 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.923 1.289 . . . . 0.0 112.489 174.838 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -61.66 -41.59 97.74 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 113.288 0.847 . . . . 0.0 113.288 178.864 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -61.19 -47.73 84.78 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 114.183 1.179 . . . . 0.0 114.183 172.082 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 18.1 m -66.42 -29.58 69.76 Favored 'General case' 0 CA--C 1.552 1.026 0 N-CA-C 115.862 1.801 . . . . 0.0 115.862 170.991 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 35.8 t -57.69 -43.03 84.84 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 121.539 1.972 . . . . 0.0 112.017 162.903 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -58.35 -45.64 87.8 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 115.585 -2.15 . . . . 0.0 113.254 168.96 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.504 1.9 pp -70.85 -26.75 28.44 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 CA-C-N 124.403 3.274 . . . . 0.0 115.706 171.302 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.86 -50.6 70.16 Favored 'General case' 0 CA--C 1.548 0.873 0 CA-C-N 122.199 2.272 . . . . 0.0 112.159 167.141 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 71.3 m-80 -66.66 -38.57 87.12 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 173.628 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -67.85 -44.28 77.52 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-O 116.158 -1.877 . . . . 0.0 114.284 171.167 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.8 p -66.36 -25.91 36.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 CA-C-N 123.836 3.016 . . . . 0.0 112.752 176.806 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 44.7 ttt180 -62.13 -32.25 72.81 Favored 'General case' 0 CA--C 1.552 1.053 0 O-C-N 121.319 -0.863 . . . . 0.0 113.244 165.835 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -95.29 -45.92 6.95 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 114.273 1.212 . . . . 0.0 114.273 175.821 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 . . . . . 0 CA--C 1.553 1.093 0 O-C-N 120.354 -1.466 . . . . 0.0 113.468 -177.591 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 33.9 ttm . . . . . 0 CA--C 1.548 0.889 0 N-CA-C 113.452 0.908 . . . . 1.1699999999999999 113.452 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 10.0 mp -58.13 -51.09 71.16 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.302 1.441 . . . . 0.68999999999999995 114.035 -179.399 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.26 -37.07 86.18 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.165 0.986 . . . . 1.55 113.361 174.826 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -62.68 -43.99 97.4 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.229 1.012 . . . . 1.45 112.181 173.234 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -63.1 -39.92 96.13 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 114.281 1.215 . . . . 1.1799999999999999 114.281 171.606 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 76.7 mt -56.93 -52.42 55.77 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 CA-C-N 119.887 1.221 . . . . 0.42999999999999999 110.088 167.192 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.32 -49.65 73.71 Favored 'General case' 0 C--O 1.219 -0.504 0 CA-C-O 116.412 -1.756 . . . . 1.25 111.966 176.292 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -62.65 -29.19 70.44 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 123.844 3.02 . . . . 1.3300000000000001 115.066 177.616 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 -82.58 -57.79 3.19 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 121.299 1.863 . . . . 0.91000000000000003 112.804 168.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.4 3.53 3.69 Favored 'General case' 0 CA--C 1.556 1.205 0 N-CA-C 117.926 2.565 . . . . 0.0 117.926 173.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.72 -50.63 14.77 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 117.859 -3.026 . . . . 0.0 113.035 157.425 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.7 pttm -82.61 63.82 6.94 Favored 'General case' 0 CA--C 1.549 0.933 0 CA-C-O 123.642 1.687 . . . . 1.0800000000000001 112.313 -174.137 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -52.97 -12.84 0.36 Allowed 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 116.956 2.206 . . . . 1.49 116.956 179.085 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -61.73 -32.74 72.98 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.105 0.962 . . . . 1.55 112.635 162.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 -88.72 67.14 8.29 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-O 125.147 2.403 . . . . 0.92000000000000004 110.895 174.598 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.76 -45.47 85.87 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 108.925 -3.762 . . . . 0.0 114.978 -169.032 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 63.7 mtp -65.69 -39.24 91.05 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.543 0.737 . . . . 1.02 112.889 177.377 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -73.89 -45.48 50.56 Favored 'General case' 0 C--O 1.239 0.501 0 C-N-CA 124.372 1.069 . . . . 0.39000000000000001 113.532 -178.16 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.25 -30.39 71.27 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-O 118.179 -0.915 . . . . 1.0600000000000001 112.93 166.025 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.4 tmtm? -69.61 -30.09 67.76 Favored 'General case' 0 CA--C 1.548 0.891 0 CA-C-N 122.438 2.381 . . . . 0.90000000000000002 111.337 168.526 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 96.5 m -56.4 -42.24 77.64 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 122.963 2.62 . . . . 0.41999999999999998 113.452 163.221 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -48.87 -53.75 18.19 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 122.939 0.496 . . . . 0.059999999999999998 111.501 163.401 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.414 ' HA ' ' HB3' ' A' ' 26' ' ' ALA 0.294 5.3 m-30 -71.71 -28.27 63.58 Favored 'General case' 0 CA--C 1.549 0.924 0 N-CA-C 113.776 1.028 . . . . 0.12 113.776 -175.466 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -57.6 -38.27 74.62 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.618 1.167 . . . . 0.71999999999999997 113.41 162.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -68.16 -39.44 88.39 Favored Glycine 0 CA--C 1.536 1.393 0 N-CA-C 114.649 0.62 . . . . 0.0 114.649 165.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.414 ' HB3' ' HA ' ' A' ' 23' ' ' TYR . . . -69.17 -27.41 65.5 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 115.927 1.825 . . . . 0.0 115.927 179.019 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -68.41 60.66 0.09 Allowed 'General case' 0 CA--C 1.562 1.405 0 CA-C-N 123.421 2.828 . . . . 1.75 112.088 171.236 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.1 tpt180 -77.36 76.73 3.9 Favored 'General case' 0 CA--C 1.546 0.819 0 O-C-N 119.092 -2.255 . . . . 1.73 112.587 -178.572 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 31.7 m120 -114.35 -7.33 12.92 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 112.857 -1.974 . . . . 1.27 112.929 169.201 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -73.73 -36.29 65.16 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 113.896 1.073 . . . . 1.1200000000000001 113.896 175.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 62.32 -25.1 0.05 Allowed 'General case' 0 CA--C 1.549 0.937 0 N-CA-C 117.211 2.301 . . . . 1.21 117.211 179.066 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.62 -148.58 0.01 OUTLIER 'General case' 0 CA--C 1.562 1.441 0 N-CA-C 115.722 1.749 . . . . 1.46 115.722 166.779 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 69.3 m -97.0 96.72 8.69 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 117.945 -2.972 . . . . 0.71999999999999997 111.459 -166.428 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 23.9 p -60.58 -31.73 70.85 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 114.829 1.418 . . . . 0.51000000000000001 114.829 -177.074 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -70.97 -21.06 62.37 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 114.844 1.424 . . . . 1.3500000000000001 114.844 174.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -74.51 -42.53 58.76 Favored 'General case' 0 CA--C 1.548 0.88 0 CA-C-N 120.381 1.446 . . . . 1.46 110.208 169.591 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.582 ' O ' HD12 ' A' ' 41' ' ' ILE . 38.9 mmt180 -62.9 -41.69 99.52 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 114.965 -1.016 . . . . 1.6799999999999999 111.79 169.847 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . 0.264 . . -83.31 3.37 31.78 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 116.954 2.205 . . . . 0.0 116.954 169.155 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.07 -37.63 75.53 Favored 'General case' 0 CA--C 1.546 0.796 0 O-C-N 119.163 -2.211 . . . . 0.0 112.137 146.484 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 81.7 mtt85 -69.88 -42.87 72.88 Favored 'General case' 0 CA--C 1.553 1.065 0 N-CA-C 113.948 1.092 . . . . 1.5800000000000001 113.948 168.674 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.582 HD12 ' O ' ' A' ' 37' ' ' ARG . 3.1 mp -71.38 83.11 0.29 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.98 0 CA-C-O 127.26 3.409 . . . . 0.14999999999999999 112.601 164.607 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.1 pttm -101.37 16.7 24.76 Favored 'General case' 0 CA--C 1.547 0.846 1 CA-C-N 107.416 -4.447 . . . . 1.4399999999999999 115.066 -174.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 49.0 mm -64.59 -35.74 75.49 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.837 0 C-N-CA 124.379 1.072 . . . . 0.41999999999999998 113.612 -169.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -171.84 160.3 32.0 Favored Glycine 0 CA--C 1.545 1.948 0 CA-C-O 118.102 -1.388 . . . . 0.0 115.262 173.443 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -52.18 -48.93 19.22 Favored 'Trans proline' 0 C--N 1.362 1.254 0 C-N-CA 124.956 3.771 . . . . 0.0 115.189 173.32 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 40.3 mttm -60.76 -34.25 74.17 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 113.9 1.074 . . . . 0.93000000000000005 113.9 172.046 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 42.3 t -64.39 -56.51 13.87 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-O 117.657 -1.163 . . . . 0.22 111.356 175.443 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -51.39 -45.41 33.56 Favored 'Isoleucine or valine' 0 C--N 1.349 0.584 0 N-CA-C 114.757 1.392 . . . . 0.080000000000000002 114.757 169.446 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -58.58 -52.38 65.92 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 114.991 1.478 . . . . 1.3999999999999999 114.991 174.407 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.61 -52.11 56.86 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.45 1.1 . . . . 0.0 110.739 171.052 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.523 ' CE2' HD13 ' A' ' 41' ' ' ILE . 2.2 t80 -54.76 -54.05 47.08 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.113 1.365 . . . . 0.20000000000000001 112.521 177.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 65.2 tttp -61.42 -47.08 87.4 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.469 1.108 . . . . 1.29 113.379 -178.017 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -69.13 -43.35 74.55 Favored 'General case' 0 C--O 1.244 0.806 0 CA-C-N 120.13 1.332 . . . . 0.63 113.528 179.05 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.3 m -58.37 -45.65 87.85 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-O 116.818 -1.563 . . . . 0.070000000000000007 113.012 169.382 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 51.8 t -57.87 -45.76 85.85 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-N 121.246 1.839 . . . . 0.28999999999999998 112.701 172.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 20.5 m-30 -59.5 -46.77 87.85 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 121.088 1.767 . . . . 1.8500000000000001 113.991 176.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 19.2 mm -64.88 -41.88 93.35 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 CA-C-N 120.395 1.452 . . . . 0.63 113.309 173.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.85 -43.79 97.85 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 113.755 1.02 . . . . 0.0 113.755 174.633 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -61.72 -46.33 90.1 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.406 1.082 . . . . 0.87 112.767 172.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -68.62 -32.99 73.26 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 114.505 1.298 . . . . 1.1699999999999999 114.505 177.258 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . 0.269 31.4 m -72.64 -32.94 43.05 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.722 0 CA-C-N 122.084 2.22 . . . . 0.40999999999999998 113.479 164.775 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 7.9 tpp180 -64.2 -36.59 84.55 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 121.514 1.961 . . . . 1.96 113.73 170.452 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.5 -26.4 65.26 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 114.22 1.193 . . . . 0.0 114.22 168.248 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -88.65 -51.15 5.83 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 123.887 0.875 . . . . 1.1899999999999999 112.069 170.142 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -128.88 128.2 43.36 Favored 'General case' 0 CA--C 1.551 0.988 0 N-CA-C 115.79 1.774 . . . . 1.27 115.79 -178.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . . . . . . . . 1 C--N 1.228 -4.681 0 O-C-N 120.901 -1.124 . . . . 1.27 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.5 mtp . . . . . 0 CA--C 1.554 1.12 0 N-CA-C 115.758 1.762 . . . . 0.0 115.758 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 73.4 mt 52.21 -99.88 0.09 Allowed 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 127.003 2.121 . . . . 0.0 113.928 -176.68 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 17.1 tm0? -63.37 -51.45 65.84 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.131 1.373 . . . . 0.0 111.863 -172.22 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 18.5 mmtm -63.29 -40.78 98.34 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 114.65 1.352 . . . . 0.0 114.65 -174.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . 0.253 48.1 mmtt -76.11 -33.15 59.46 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 116.021 -1.942 . . . . 0.0 115.357 171.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 39.1 mt -62.88 -41.8 94.01 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 CA-C-N 123.445 2.839 . . . . 0.0 109.296 166.67 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -59.29 -63.41 1.31 Allowed 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 116.707 -1.616 . . . . 0.0 112.168 172.296 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -68.08 -20.26 64.94 Favored 'General case' 0 CA--C 1.55 0.961 0 CA-C-N 124.064 3.12 . . . . 0.0 114.602 -175.17 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -87.21 -61.88 1.63 Allowed 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 122.071 2.214 . . . . 0.0 112.138 167.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.67 0.08 13.92 Favored 'General case' 0 CA--C 1.555 1.172 0 N-CA-C 118.032 2.604 . . . . 0.0 118.032 176.471 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.57 -49.2 19.31 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 124.46 3.3 . . . . 0.0 112.006 155.411 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -80.53 70.16 7.18 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-O 122.594 1.188 . . . . 0.0 111.33 -177.681 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.6 m-30 -55.49 -8.68 0.38 Allowed 'General case' 0 CA--C 1.552 1.038 0 N-CA-C 116.198 1.925 . . . . 0.0 116.198 173.569 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -61.36 -34.36 75.18 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 124.705 1.202 . . . . 0.0 112.586 160.034 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 11.1 m-30 -80.73 60.71 4.12 Favored 'General case' 0 CA--C 1.549 0.923 0 O-C-N 120.144 -1.598 . . . . 0.0 110.504 174.75 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.14 -50.09 67.75 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 115.443 1.646 . . . . 0.0 115.443 -166.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 47.8 mtm -66.44 -32.26 73.53 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 175.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 52.3 mt -83.87 -39.67 19.59 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.591 0.756 . . . . 0.0 112.171 -173.482 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.73 -29.42 67.83 Favored 'General case' 0 CA--C 1.546 0.803 0 O-C-N 121.021 -1.049 . . . . 0.0 112.2 164.367 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.7 tmtt? -63.07 -37.8 88.63 Favored 'General case' 0 CA--C 1.548 0.866 0 CA-C-N 121.818 2.099 . . . . 0.0 110.753 164.652 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 86.5 m -55.34 -40.96 71.86 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 122.694 2.497 . . . . 0.0 114.03 166.711 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -51.12 -55.99 14.96 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 118.74 0.7 . . . . 0.0 112.09 163.788 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 7.2 m-30 -73.53 -24.39 60.12 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 114.208 1.188 . . . . 0.0 114.208 -172.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.69 -54.33 47.4 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.489 1.516 . . . . 0.0 110.917 160.376 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.87 -37.83 95.54 Favored Glycine 0 CA--C 1.535 1.283 0 N-CA-C 115.32 0.888 . . . . 0.0 115.32 174.329 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.29 -38.26 86.16 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 118.449 1.125 . . . . 0.0 113.023 172.341 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 35.1 t80 -71.69 74.11 0.81 Allowed 'General case' 0 CA--C 1.555 1.157 0 CA-C-O 123.158 1.456 . . . . 0.0 112.158 168.296 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.407 ' NE ' HD21 ' A' ' 59' ' ' ASN . 8.5 mmm180 -76.14 83.08 2.97 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-O 123.054 1.407 . . . . 0.0 113.512 169.051 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.4 p-10 -86.02 -36.3 19.82 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 114.297 -1.32 . . . . 0.0 113.498 171.004 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -63.61 -16.55 61.2 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 118.197 2.666 . . . . 0.0 118.197 -171.195 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 63.06 -50.43 0.2 Allowed 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 116.485 2.032 . . . . 0.0 116.485 177.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -73.0 -118.52 0.0 OUTLIER 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 125.13 1.372 . . . . 0.0 113.848 178.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 21.7 p -107.07 124.66 49.98 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 117.949 -2.969 . . . . 0.0 113.38 -179.284 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 22.1 p -68.27 -21.36 64.8 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 174.275 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 54.8 mp0 -63.31 -36.47 83.79 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.819 1.248 . . . . 0.0 113.9 177.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -69.65 -46.29 66.48 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 119.964 1.256 . . . . 0.0 112.649 174.09 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.523 ' O ' HD12 ' A' ' 41' ' ' ILE . 64.6 ttt180 -54.38 -51.03 66.1 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 114.858 -1.064 . . . . 0.0 111.755 168.659 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -80.67 -2.84 48.33 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 116.786 2.143 . . . . 0.0 116.786 174.639 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.17 -26.93 63.19 Favored 'General case' 0 CA--C 1.545 0.769 0 O-C-N 119.357 -2.089 . . . . 0.0 113.113 151.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.44 -43.87 59.4 Favored 'General case' 0 CA--C 1.552 1.035 0 CA-C-N 120.189 1.358 . . . . 0.0 114.337 159.783 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.533 HD13 ' CE2' ' A' ' 51' ' ' PHE 0.291 3.3 mp -70.47 83.17 0.23 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.965 0 CA-C-O 126.94 3.257 . . . . 0.0 114.237 171.817 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 66.4 mmtt -102.74 27.98 6.51 Favored 'General case' 0 CA--C 1.547 0.855 1 CA-C-N 108.069 -4.15 . . . . 0.0 115.137 -178.717 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 47.7 mm -68.29 -35.31 70.52 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.912 0 O-C-N 120.68 -1.262 . . . . 0.0 112.765 -177.196 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -176.34 164.47 34.32 Favored Glycine 0 CA--C 1.547 2.053 0 CA-C-O 118.371 -1.238 . . . . 0.0 115.596 173.109 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.519 ' O ' ' HG2' ' A' ' 49' ' ' LYS . 70.0 Cg_exo -54.33 -47.91 24.34 Favored 'Trans proline' 0 C--N 1.359 1.128 0 C-N-CA 124.857 3.704 . . . . 0.0 115.708 174.071 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 15.5 mttm -62.24 -33.21 74.17 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.176 1.39 . . . . 0.0 113.826 172.293 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 27.3 t -63.37 -58.06 8.32 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.923 0.889 . . . . 0.0 111.263 172.442 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.419 ' O ' ' HB2' ' A' ' 52' ' ' LYS 0.288 0.0 OUTLIER -53.61 -34.35 23.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 N-CA-C 115.688 1.736 . . . . 0.0 115.688 172.557 . . . . . . . . 4 4 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.519 ' HG2' ' O ' ' A' ' 45' ' ' PRO . 33.3 mmtm -64.77 -54.05 37.39 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-N 120.039 1.291 . . . . 0.0 113.985 169.026 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -50.79 -50.41 56.23 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.831 1.252 . . . . 0.0 110.866 173.569 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.533 ' CE2' HD13 ' A' ' 41' ' ' ILE . 2.8 t80 -54.92 -54.72 38.97 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.045 1.338 . . . . 0.0 112.132 176.433 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.419 ' HB2' ' O ' ' A' ' 48' ' ' VAL . 0.0 OUTLIER -63.08 -44.1 96.67 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 -176.222 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -70.09 -45.46 66.92 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 113.178 0.807 . . . . 0.0 113.178 -178.739 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 2.0 m -59.14 -41.27 87.88 Favored 'General case' 0 CA--C 1.55 0.951 0 CA-C-O 117.234 -1.365 . . . . 0.0 113.855 166.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 20.3 t -55.81 -47.83 76.47 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 121.681 2.037 . . . . 0.0 113.941 171.579 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -66.91 -36.82 83.14 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 177.58 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 17.1 mm -67.4 -37.73 79.49 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 CA-C-N 120.561 1.528 . . . . 0.0 113.84 167.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.13 -43.62 82.55 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 169.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.407 HD21 ' NE ' ' A' ' 28' ' ' ARG . 64.3 m-80 -67.48 -33.94 76.14 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 114.77 1.396 . . . . 0.0 114.77 170.491 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -61.09 -43.24 99.18 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 119.974 1.261 . . . . 0.0 112.075 167.14 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 97.9 t -60.75 -43.55 95.46 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.824 0 C-N-CA 123.883 0.873 . . . . 0.0 112.793 171.207 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 45.6 mtt-85 -58.43 -35.91 72.82 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 169.023 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.4 -52.84 12.35 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 114.285 1.217 . . . . 0.0 114.285 172.626 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -77.21 64.33 2.61 Favored 'General case' 0 CA--C 1.555 1.137 0 CA-C-O 124.077 1.894 . . . . 0.0 114.411 -177.192 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 97.0 mm-40 -100.95 -53.05 3.14 Favored 'General case' 0 CA--C 1.545 0.764 0 O-C-N 120.861 -1.149 . . . . 0.0 113.229 174.261 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . . . . . . . . 1 C--N 1.233 -4.474 0 CA-C-N 119.83 1.195 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.3 ptp . . . . . 0 CA--C 1.546 0.791 0 N-CA-C 114.455 1.28 . . . . 0.0 114.455 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 78.1 mt -87.71 105.83 17.64 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-O 122.974 1.369 . . . . 0.0 111.993 179.305 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 15.3 tm0? -54.59 -41.0 69.39 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 113.208 -1.815 . . . . 0.0 111.834 171.579 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -60.67 -32.61 71.8 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 114.582 1.327 . . . . 0.0 114.582 173.526 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 58.5 mmtt -78.55 -32.18 47.75 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 121.166 1.803 . . . . 0.0 114.422 172.555 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 73.5 mt -56.68 -52.97 47.36 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 CA-C-N 119.13 0.877 . . . . 0.0 109.31 162.661 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -59.06 -37.76 77.8 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-O 117.378 -1.296 . . . . 0.0 113.524 177.035 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -67.52 -37.32 82.6 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 122.442 2.383 . . . . 0.0 114.37 172.616 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -86.43 -48.35 8.51 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 121.076 1.762 . . . . 0.0 113.794 174.261 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.11 4.37 2.78 Favored 'General case' 0 CA--C 1.554 1.104 0 N-CA-C 115.861 1.801 . . . . 0.0 115.861 167.435 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.84 -44.07 74.16 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 118.537 -2.602 . . . . 0.0 112.544 150.241 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 38.4 mttp -83.05 66.98 8.93 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-O 122.739 1.257 . . . . 0.0 110.936 -171.531 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -63.61 -13.54 43.14 Favored 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 114.482 1.289 . . . . 0.0 114.482 171.348 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.3 tmtt? -64.81 -40.46 95.26 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 124.726 1.21 . . . . 0.0 111.295 161.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -92.75 69.49 4.72 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-O 125.875 2.75 . . . . 0.0 110.617 174.063 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.5 -39.55 70.62 Favored 'General case' 0 CA--C 1.536 0.429 1 CA-C-N 107.8 -4.273 . . . . 0.0 114.174 -173.619 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 32.8 ttm -65.41 -36.51 84.18 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.377 1.071 . . . . 0.0 112.924 175.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 75.9 mt -82.76 -42.02 18.48 Favored 'General case' 0 C--O 1.24 0.604 0 O-C-N 121.183 -0.948 . . . . 0.0 112.524 -175.225 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.66 -29.32 69.87 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 119.052 -1.059 . . . . 0.0 112.851 164.001 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.9 tptp -63.87 -38.3 90.6 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 121.945 2.157 . . . . 0.0 111.292 166.495 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 99.4 m -52.84 -42.74 65.45 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 122.157 2.253 . . . . 0.0 113.491 166.361 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -51.05 -53.73 31.12 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 118.349 0.522 . . . . 0.0 112.181 163.672 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.289 6.5 m-30 -73.46 -25.9 60.69 Favored 'General case' 0 CA--C 1.554 1.114 0 N-CA-C 114.466 1.284 . . . . 0.0 114.466 -173.073 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -59.25 -41.95 89.96 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.005 1.322 . . . . 0.0 112.599 161.47 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.22 -40.55 92.33 Favored Glycine 0 CA--C 1.537 1.431 0 CA-C-O 118.952 -0.915 . . . . 0.0 114.622 167.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.92 -42.33 98.96 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 119.329 1.565 . . . . 0.0 114.104 178.47 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . 0.319 1.4 p90 -95.08 60.96 2.41 Favored 'General case' 0 CA--C 1.55 0.973 0 CA-C-N 121.58 1.991 . . . . 0.0 114.19 167.452 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.28 102.54 5.01 Favored 'General case' 0 CA--C 1.547 0.853 0 O-C-N 121.458 -0.776 . . . . 0.0 110.439 178.851 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -146.98 19.41 1.26 Allowed 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 114.972 1.471 . . . . 0.0 114.972 -177.367 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 16.9 p-10 -75.67 59.41 1.17 Allowed 'General case' 0 CA--C 1.555 1.135 0 N-CA-C 115.323 1.601 . . . . 0.0 115.323 -171.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 66.31 -53.91 0.41 Allowed 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 127.102 2.161 . . . . 0.0 115.68 172.158 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 60.2 mt-10 -73.04 174.09 8.39 Favored 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 124.242 1.017 . . . . 0.0 113.691 174.358 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.1 t -93.96 161.37 14.32 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 119.604 -1.935 . . . . 0.0 114.54 -168.485 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 94.0 m -59.77 -39.61 85.44 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 113.622 -1.626 . . . . 0.0 114.128 -171.639 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -65.5 -26.28 67.85 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 113.534 0.938 . . . . 0.0 113.534 -174.283 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -65.98 -55.6 15.94 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-O 123.437 1.589 . . . . 0.0 111.355 175.142 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.616 ' O ' HD12 ' A' ' 41' ' ' ILE . 9.2 mpt_? -63.89 -47.1 81.98 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 112.653 -2.067 . . . . 0.0 110.039 177.74 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -81.63 -0.13 41.08 Favored 'General case' 0 CA--C 1.551 1.012 0 N-CA-C 116.585 2.068 . . . . 0.0 116.585 175.516 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.58 -32.09 67.67 Favored 'General case' 0 CA--C 1.54 0.596 0 O-C-N 119.263 -2.148 . . . . 0.0 112.53 150.329 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 41.2 mmt180 -71.29 -44.14 65.79 Favored 'General case' 0 CA--C 1.552 1.037 0 N-CA-C 113.673 0.99 . . . . 0.0 113.673 165.003 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.616 HD12 ' O ' ' A' ' 37' ' ' ARG 0.293 3.2 mp -73.59 83.07 0.46 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.92 0 CA-C-O 126.587 3.089 . . . . 0.0 113.801 172.68 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 47.4 mttp -100.85 21.06 14.21 Favored 'General case' 0 CA--C 1.548 0.897 1 CA-C-N 108.191 -4.095 . . . . 0.0 115.655 -179.129 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 78.4 mt -65.04 -37.09 79.36 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.937 0 O-C-N 120.49 -1.381 . . . . 0.0 113.441 -172.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -175.96 163.83 33.57 Favored Glycine 0 CA--C 1.546 1.992 0 CA-C-O 117.887 -1.507 . . . . 0.0 115.411 173.487 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_exo -53.36 -48.47 21.8 Favored 'Trans proline' 0 C--N 1.36 1.157 0 C-N-CA 125.028 3.819 . . . . 0.0 115.76 175.189 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 22.8 mttm -64.98 -28.8 69.76 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 113.981 1.104 . . . . 0.0 113.981 173.227 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 38.7 t -66.55 -58.58 4.91 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 117.462 -1.256 . . . . 0.0 111.243 171.448 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -52.56 -39.34 29.27 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 N-CA-C 115.292 1.59 . . . . 0.0 115.292 171.097 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.3 ttmt -56.6 -56.48 20.83 Favored 'General case' 0 CA--C 1.55 0.976 0 CA-C-N 120.278 1.399 . . . . 0.0 113.539 170.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.78 -51.16 64.33 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.294 1.038 . . . . 0.0 111.173 173.333 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.567 ' CE2' HD13 ' A' ' 41' ' ' ILE . 2.9 t80 -55.35 -58.77 6.36 Favored 'General case' 0 C--N 1.347 0.495 0 C-N-CA 124.682 1.193 . . . . 0.0 111.684 177.8 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.413 ' O ' ' HD1' ' A' ' 56' ' ' TYR . 24.6 mtpp -61.77 -39.27 91.06 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 117.369 -1.301 . . . . 0.0 113.845 -177.678 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -68.24 -48.55 64.8 Favored 'General case' 0 C--O 1.244 0.773 0 CA-C-N 121.604 2.002 . . . . 0.0 114.047 176.023 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.2 m -59.59 -41.76 90.99 Favored 'General case' 0 CA--C 1.551 0.996 0 N-CA-C 113.682 0.993 . . . . 0.0 113.682 171.108 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 7.9 t -65.07 -41.86 94.67 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 119.826 1.194 . . . . 0.0 113.355 176.593 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.413 ' HD1' ' O ' ' A' ' 52' ' ' LYS . 35.6 m-85 -64.84 -36.4 84.22 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-O 117.329 -1.319 . . . . 0.0 113.104 172.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 21.9 mm -60.89 -45.55 98.01 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 CA-C-N 121.083 1.765 . . . . 0.0 113.135 166.615 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.56 -44.92 81.41 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 113.636 0.976 . . . . 0.0 113.636 172.489 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -65.05 -38.15 89.9 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 123.858 0.863 . . . . 0.0 112.986 172.018 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -64.33 -41.03 97.0 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 120.537 1.517 . . . . 0.0 113.315 170.222 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 90.5 t -62.04 -40.67 88.23 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.819 0 CA-C-N 119.651 1.114 . . . . 0.0 112.427 170.223 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 13.3 tpt180 -61.69 -42.43 98.93 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-N 119.204 0.911 . . . . 0.0 113.314 169.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.7 -54.21 14.88 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 114.383 1.253 . . . . 0.0 114.383 173.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -80.37 66.21 5.8 Favored 'General case' 0 CA--C 1.549 0.937 0 CA-C-N 120.523 1.51 . . . . 0.0 113.404 -174.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -102.98 -51.41 3.27 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-O 117.961 -1.019 . . . . 0.0 113.429 173.591 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . . . . . . . . 1 C--N 1.234 -4.446 0 CA-C-N 119.86 1.209 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.8 mtp . . . . . 0 CA--C 1.552 1.039 0 N-CA-C 114.893 1.442 . . . . 0.0 114.893 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -78.85 94.86 5.26 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-O 122.904 1.335 . . . . 0.0 111.616 -175.625 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -54.61 -41.84 70.43 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 113.472 -1.695 . . . . 0.0 112.768 177.416 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 60.4 tttm -54.99 -37.69 66.88 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.444 1.098 . . . . 0.0 112.808 171.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.0 tppt? -74.47 -38.78 62.83 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 120.156 1.343 . . . . 0.0 113.167 177.038 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.3 mp -59.42 -50.95 78.01 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.177 0 CA-C-N 120.516 1.507 . . . . 0.0 109.521 166.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.26 -32.2 70.94 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-O 116.458 -1.735 . . . . 0.0 114.299 175.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 72.9 mt-10 -66.41 -59.07 4.02 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 123.755 2.98 . . . . 0.0 114.051 167.518 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -67.67 -45.19 75.95 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 120.092 1.314 . . . . 0.0 113.041 -176.51 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.55 -1.58 22.05 Favored 'General case' 0 CA--C 1.558 1.28 0 N-CA-C 116.7 2.111 . . . . 0.0 116.7 164.65 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.52 -42.46 35.48 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 125.343 3.701 . . . . 0.0 112.682 151.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 52.0 mtpt -68.27 54.38 0.07 Allowed 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 125.143 1.377 . . . . 0.0 113.867 178.232 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -57.56 -26.93 62.16 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 115.729 1.751 . . . . 0.0 115.729 -178.824 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.38 -30.94 68.78 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.938 1.295 . . . . 0.0 113.6 166.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -89.96 71.59 7.49 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-O 125.082 2.372 . . . . 0.0 109.766 173.048 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.429 ' O ' ' HB2' ' A' ' 20' ' ' LYS . . . -55.69 -44.7 77.6 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 108.868 -3.787 . . . . 0.0 114.528 -168.304 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 31.7 ttm -65.89 -34.78 78.92 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.081 0.952 . . . . 0.0 112.641 177.018 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 73.8 mt -82.07 -42.99 18.47 Favored 'General case' 0 C--O 1.238 0.493 0 O-C-N 121.252 -0.905 . . . . 0.0 112.687 -174.461 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.79 -30.4 71.04 Favored 'General case' 0 CA--C 1.55 0.952 0 O-C-N 121.272 -0.892 . . . . 0.0 112.559 164.511 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.429 ' HB2' ' O ' ' A' ' 16' ' ' ALA . 3.2 tmtt? -64.29 -38.56 91.49 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-N 121.868 2.122 . . . . 0.0 110.329 167.52 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 94.2 m -54.52 -42.04 70.39 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 122.489 2.404 . . . . 0.0 113.787 167.256 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -50.34 -53.46 28.72 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 118.651 0.66 . . . . 0.0 112.064 163.417 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.276 7.2 m-30 -73.68 -26.2 60.62 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 -173.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -56.88 -47.67 79.92 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.189 0.996 . . . . 0.0 112.17 159.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.52 -44.02 85.58 Favored Glycine 0 CA--C 1.535 1.3 0 C-N-CA 123.825 0.726 . . . . 0.0 114.427 169.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.28 -50.03 71.72 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 114.44 1.274 . . . . 0.0 114.44 175.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . 0.402 2.9 p90 -81.14 83.92 6.67 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-N 122.371 2.35 . . . . 0.0 114.006 172.504 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -92.52 38.59 1.02 Allowed 'General case' 0 CA--C 1.555 1.164 0 CA-C-N 112.424 -2.171 . . . . 0.0 113.749 177.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 20.3 m120 -63.36 -24.23 67.76 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 115.554 1.687 . . . . 0.0 115.554 -175.069 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -64.46 -29.52 70.57 Favored 'General case' 0 CA--C 1.549 0.925 0 N-CA-C 115.057 1.502 . . . . 0.0 115.057 169.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . 0.275 28.2 m-20 53.94 35.41 21.83 Favored 'General case' 0 CA--C 1.55 0.948 0 N-CA-C 117.285 2.328 . . . . 0.0 117.285 -170.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -77.64 173.56 11.9 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-O 122.554 1.169 . . . . 0.0 113.134 163.28 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.8 p -71.45 131.51 43.43 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 120.783 -1.198 . . . . 0.0 112.012 169.127 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 98.4 m -56.36 -49.1 75.38 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.954 1.302 . . . . 0.0 114.243 -170.32 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -76.01 -15.67 60.1 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 114.375 1.25 . . . . 0.0 114.375 -179.303 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -86.33 -41.77 14.25 Favored 'General case' 0 C--O 1.242 0.689 0 CA-C-N 121.183 1.81 . . . . 0.0 111.958 171.292 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.588 ' O ' HD12 ' A' ' 41' ' ' ILE 0.266 15.5 ptt180 -66.15 -37.97 86.97 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-O 118.37 -0.824 . . . . 0.0 111.305 167.775 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . 0.25 . . -89.29 9.4 26.12 Favored 'General case' 0 CA--C 1.551 1.005 0 N-CA-C 116.864 2.172 . . . . 0.0 116.864 169.084 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.28 -39.53 71.48 Favored 'General case' 0 CA--C 1.542 0.65 0 O-C-N 118.917 -2.364 . . . . 0.0 111.956 144.012 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 75.4 mtm180 -68.75 -42.27 77.75 Favored 'General case' 0 CA--C 1.551 1.008 0 N-CA-C 114.061 1.134 . . . . 0.0 114.061 168.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.588 HD12 ' O ' ' A' ' 37' ' ' ARG 0.251 3.4 mp -74.19 81.2 0.48 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.902 0 CA-C-O 127.121 3.343 . . . . 0.0 112.485 162.054 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 62.3 pttt -98.07 16.29 21.6 Favored 'General case' 0 CA--C 1.548 0.871 1 CA-C-N 107.529 -4.396 . . . . 0.0 115.319 -173.707 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 82.3 mt -65.3 -43.01 95.17 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.846 0 N-CA-C 113.938 1.088 . . . . 0.0 113.938 -168.406 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -176.27 166.79 38.05 Favored Glycine 0 CA--C 1.542 1.78 0 CA-C-O 118.202 -1.332 . . . . 0.0 115.935 176.185 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -61.29 -44.48 23.13 Favored 'Trans proline' 0 C--N 1.359 1.108 0 C-N-CA 124.544 3.496 . . . . 0.0 115.915 -175.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -64.1 -32.82 74.53 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.732 0.813 . . . . 0.0 112.688 171.662 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 36.0 t -64.55 -59.86 3.81 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-O 117.136 -1.412 . . . . 0.0 111.276 174.149 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -49.89 -41.53 17.54 Favored 'Isoleucine or valine' 0 C--N 1.351 0.656 0 CA-C-N 120.6 1.545 . . . . 0.0 114.876 170.141 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.3 mmtt -64.05 -49.9 70.51 Favored 'General case' 0 CA--C 1.552 1.039 0 N-CA-C 115.445 1.646 . . . . 0.0 115.445 174.098 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.12 -50.03 65.31 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 124.332 1.053 . . . . 0.0 110.445 168.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.553 ' CE2' HD13 ' A' ' 41' ' ' ILE . 3.5 t80 -55.35 -59.19 5.15 Favored 'General case' 0 C--N 1.348 0.51 0 C-N-CA 124.99 1.316 . . . . 0.0 112.235 177.03 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 18.4 mmmt -59.94 -42.38 93.88 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 114.079 1.14 . . . . 0.0 114.079 -178.242 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . 0.25 13.9 m-20 -72.15 -41.73 66.76 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 121.229 1.831 . . . . 0.0 114.118 177.522 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.7 m -60.05 -35.52 75.3 Favored 'General case' 0 CA--C 1.551 0.982 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 166.23 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.6 t -66.05 -36.73 84.03 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 119.899 1.227 . . . . 0.0 113.178 173.323 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 43.6 m-85 -61.71 -40.23 94.32 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 120.225 1.375 . . . . 0.0 113.651 165.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 21.5 mm -60.79 -42.91 94.09 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 CA-C-N 119.773 1.17 . . . . 0.0 112.867 169.291 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.03 -43.2 86.62 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 113.958 1.096 . . . . 0.0 113.958 172.125 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -60.43 -43.35 96.88 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 119.672 1.124 . . . . 0.0 113.517 169.702 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -60.03 -39.84 87.28 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 123.737 0.815 . . . . 0.0 112.89 173.291 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 97.4 t -65.87 -55.73 18.09 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.748 0 CA-C-O 118.661 -0.685 . . . . 0.0 112.434 167.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.792 ' HE ' ' N ' ' A' ' 66' ' ' SER . 1.6 mmp_? -65.75 -12.34 53.06 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 116.105 1.891 . . . . 0.0 116.105 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.34 -26.81 68.64 Favored 'General case' 0 CA--C 1.547 0.845 0 O-C-N 120.835 -1.165 . . . . 0.0 114.133 160.578 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -125.87 -29.11 3.14 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 115.099 1.518 . . . . 0.0 115.099 178.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 92.3 mm-40 -107.79 -67.58 0.95 Allowed 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 121.713 2.052 . . . . 0.0 111.688 168.346 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.792 ' N ' ' HE ' ' A' ' 62' ' ' ARG . . . . . . . . 1 C--N 1.234 -4.434 0 O-C-N 119.915 -1.741 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.9 mtp . . . . . 0 CA--C 1.548 0.896 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 72.7 mt -59.2 -47.75 84.17 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 114.423 1.268 . . . . 0.0 114.423 -176.164 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -58.99 -42.32 89.74 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.57 1.148 . . . . 0.0 112.99 176.45 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 17.7 tptp -65.62 -44.54 86.2 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 123.893 0.877 . . . . 0.0 111.51 175.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 18.2 mtmt -62.76 -39.7 94.96 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 114.402 1.26 . . . . 0.0 114.402 172.446 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 28.1 mt -60.2 -44.86 96.33 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 CA-C-N 121.218 1.826 . . . . 0.0 110.137 168.138 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -58.8 -46.36 87.76 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-O 117.138 -1.411 . . . . 0.0 112.752 174.217 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -63.3 -41.32 98.94 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 123.398 2.817 . . . . 0.0 114.333 171.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.573 ' O ' ' HE1' ' A' ' 13' ' ' TYR . 65.3 mm-40 -77.35 -41.81 38.97 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 114.716 1.376 . . . . 0.0 114.716 178.55 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -103.63 43.27 1.1 Allowed 'General case' 0 CA--C 1.551 1.015 0 N-CA-C 118.68 2.844 . . . . 0.0 118.68 163.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.8 28.6 0.0 OUTLIER 'General case' 0 CA--C 1.557 1.245 0 O-C-N 118.17 -2.831 . . . . 0.0 118.58 167.364 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 59.2 mtpt 44.03 46.89 7.2 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 127.329 2.252 . . . . 0.0 114.388 -172.331 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.573 ' HE1' ' O ' ' A' ' 9' ' ' GLU . 1.0 OUTLIER -123.58 -150.7 0.46 Allowed 'General case' 0 CA--C 1.55 0.975 0 CA-C-N 115.227 -0.897 . . . . 0.0 111.629 -160.474 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -71.64 -45.18 62.81 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.951 1.7 . . . . 0.0 115.178 -166.11 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -80.03 78.7 6.64 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-O 123.8 1.762 . . . . 0.0 114.025 -172.453 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.16 -54.93 32.98 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 111.335 -2.666 . . . . 0.0 116.183 -177.529 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 65.0 mtp -66.17 -28.97 69.18 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 113.396 0.888 . . . . 0.0 113.396 -179.534 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -78.13 -50.0 12.82 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.844 1.258 . . . . 0.0 112.698 -179.216 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 25.5 pttm -61.94 -28.94 69.9 Favored 'General case' 0 CA--C 1.547 0.86 0 O-C-N 120.942 -1.099 . . . . 0.0 113.793 164.501 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -66.25 -36.24 82.5 Favored 'General case' 0 CA--C 1.553 1.091 0 CA-C-N 120.911 1.687 . . . . 0.0 111.233 166.412 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.8 m -57.08 -39.39 74.87 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-N 123.408 2.822 . . . . 0.0 114.326 164.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -50.65 -52.79 36.5 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-N 119.229 0.922 . . . . 0.0 111.421 163.463 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.284 7.0 m-30 -74.63 -21.67 59.32 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 114.423 1.268 . . . . 0.0 114.423 -174.715 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -58.16 -49.04 78.41 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.584 0.754 . . . . 0.0 112.857 156.559 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.28 -40.6 98.82 Favored Glycine 0 CA--C 1.532 1.146 0 N-CA-C 115.2 0.84 . . . . 0.0 115.2 173.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.66 -42.46 95.37 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 113.199 0.814 . . . . 0.0 113.199 172.717 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -74.75 73.94 2.07 Favored 'General case' 0 CA--C 1.554 1.107 0 CA-C-O 123.215 1.483 . . . . 0.0 112.429 173.735 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 73.4 ttt180 -95.14 115.35 27.32 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.692 169.525 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -134.13 -106.81 0.23 Allowed 'General case' 0 CA--C 1.553 1.077 0 CA-C-O 117.796 -1.097 . . . . 0.0 112.909 -165.325 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -63.7 -24.0 67.6 Favored 'General case' 0 CA--C 1.55 0.947 0 CA-C-N 122.448 2.385 . . . . 0.0 113.299 174.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -68.44 125.54 26.79 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-O 122.661 1.219 . . . . 0.0 112.815 174.1 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -65.65 -59.85 3.51 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 114.369 -1.287 . . . . 0.0 113.914 176.179 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 92.8 m -123.77 112.3 17.16 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 118.751 0.705 . . . . 0.0 111.795 -174.519 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 12.1 p -63.2 -27.41 69.34 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 116.364 1.986 . . . . 0.0 116.364 -177.154 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -70.11 -29.8 66.85 Favored 'General case' 0 CA--C 1.55 0.977 0 CA-C-N 119.792 1.178 . . . . 0.0 114.072 174.154 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -69.81 -47.23 63.57 Favored 'General case' 0 CA--C 1.548 0.872 0 O-C-N 119.998 -1.689 . . . . 0.0 111.041 172.477 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.539 ' O ' HD12 ' A' ' 41' ' ' ILE . 67.7 ttt180 -52.36 -48.65 65.42 Favored 'General case' 0 CA--C 1.547 0.863 0 CA-C-N 113.333 -1.758 . . . . 0.0 112.277 167.182 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -87.98 7.72 29.77 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 117.344 2.35 . . . . 0.0 117.344 172.537 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.04 -47.65 79.37 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 119.188 -2.195 . . . . 0.0 110.375 143.203 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 84.7 mtt-85 -66.66 -47.45 72.48 Favored 'General case' 0 CA--C 1.554 1.133 0 N-CA-C 114.594 1.331 . . . . 0.0 114.594 174.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.539 HD12 ' O ' ' A' ' 37' ' ' ARG . 3.3 mp -67.04 90.23 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 CA-C-O 126.426 3.012 . . . . 0.0 112.663 168.574 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.18 46.08 2.05 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-N 109.171 -3.649 . . . . 0.0 112.496 176.026 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 89.6 mt -68.97 -40.96 81.6 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.813 0 O-C-N 121.373 -0.829 . . . . 0.0 111.927 177.229 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -169.16 158.1 30.43 Favored Glycine 0 CA--C 1.544 1.882 0 CA-C-O 117.465 -1.742 . . . . 0.0 114.117 174.502 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -51.63 -44.72 42.44 Favored 'Trans proline' 0 C--N 1.359 1.103 0 C-N-CA 125.013 3.809 . . . . 0.0 115.747 176.124 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 51.2 tttm -65.88 -32.91 74.68 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 124.464 1.106 . . . . 0.0 112.235 175.712 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -68.02 -55.67 11.76 Favored 'General case' 0 C--N 1.348 0.54 0 C-N-CA 124.347 1.059 . . . . 0.0 111.061 174.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -54.22 -39.72 44.14 Favored 'Isoleucine or valine' 0 C--N 1.351 0.669 0 N-CA-C 114.901 1.445 . . . . 0.0 114.901 171.132 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.0 tttt -56.37 -58.85 6.23 Favored 'General case' 0 CA--C 1.549 0.942 0 CA-C-N 119.564 1.075 . . . . 0.0 112.967 171.349 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.05 -50.13 59.22 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.579 1.152 . . . . 0.0 111.664 173.538 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.532 ' CE2' HD13 ' A' ' 41' ' ' ILE . 1.9 t80 -55.01 -55.79 26.96 Favored 'General case' 0 C--N 1.349 0.577 0 CA-C-O 117.521 -1.228 . . . . 0.0 111.596 176.186 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.6 mmmt -59.95 -41.5 92.02 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 120.06 1.3 . . . . 0.0 113.858 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -62.47 -50.12 72.69 Favored 'General case' 0 CA--C 1.55 0.971 0 CA-C-N 120.879 1.672 . . . . 0.0 112.972 177.027 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 17.5 m -63.12 -37.82 88.73 Favored 'General case' 0 CA--C 1.555 1.141 0 N-CA-C 114.634 1.346 . . . . 0.0 114.634 170.783 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.7 t -60.11 -40.65 90.42 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 120.769 1.622 . . . . 0.0 113.198 169.062 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -62.61 -40.54 97.29 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-O 115.835 -2.031 . . . . 0.0 113.882 169.222 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.435 1.9 pp -69.79 -31.92 50.14 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 CA-C-N 124.377 3.262 . . . . 0.0 114.663 169.349 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.02 -40.42 93.51 Favored 'General case' 0 CA--C 1.547 0.847 0 CA-C-N 120.319 1.418 . . . . 0.0 112.806 169.667 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -63.29 -41.61 99.0 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 112.948 0.721 . . . . 0.0 112.948 170.497 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 30.3 mm100 -62.52 -40.1 95.67 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-O 118.113 -0.946 . . . . 0.0 113.376 170.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 94.3 t -60.04 -45.11 95.92 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.808 0 CA-C-N 120.289 1.404 . . . . 0.0 112.437 170.293 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -64.15 -35.83 82.07 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 114.911 1.449 . . . . 0.0 114.911 171.482 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.81 -53.26 10.66 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 120.231 1.378 . . . . 0.0 114.161 171.648 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -81.7 67.48 7.69 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-O 123.348 1.547 . . . . 0.0 113.094 -175.161 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 91.2 mm-40 -95.28 -52.1 4.32 Favored 'General case' 0 CA--C 1.546 0.821 0 CA-C-N 114.833 -1.076 . . . . 0.0 113.38 173.505 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . . . . . . . . 1 C--N 1.233 -4.458 0 CA-C-N 119.851 1.205 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 46.7 mmm . . . . . 0 CA--C 1.545 0.766 0 N-CA-C 115.756 1.762 . . . . 0.0 115.756 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 59.9 mt -75.14 73.0 2.27 Favored 'General case' 0 CA--C 1.554 1.096 0 CA-C-O 124.708 2.194 . . . . 0.0 114.584 -175.287 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -59.31 -24.98 63.76 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 112.33 -2.214 . . . . 0.0 114.12 169.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -60.17 -44.39 95.08 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.723 1.209 . . . . 0.0 112.486 169.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.34 -41.43 76.63 Favored 'General case' 0 C--O 1.241 0.626 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 172.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 72.2 mt -56.13 -53.05 43.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 CA-C-O 117.477 -1.249 . . . . 0.0 109.722 168.558 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -73.26 -10.81 60.16 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 121.403 1.91 . . . . 0.0 115.73 176.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -68.76 -40.99 79.46 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 125.718 3.872 . . . . 0.0 111.711 160.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -86.14 -31.23 21.94 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 114.635 1.346 . . . . 0.0 114.635 178.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -99.04 28.51 4.36 Favored 'General case' 0 CA--C 1.558 1.268 0 N-CA-C 119.399 3.111 . . . . 0.0 119.399 158.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.94 56.22 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.25 0 O-C-N 117.309 -3.369 . . . . 0.0 117.287 164.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . 0.272 0.8 OUTLIER 65.63 -50.05 0.38 Allowed 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 128.308 2.643 . . . . 0.0 114.074 177.232 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 64.17 130.29 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 120.374 3.472 . . . . 0.0 120.374 167.11 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm -66.99 -43.43 82.96 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 109.959 -3.291 . . . . 0.0 111.567 150.018 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -82.52 68.54 9.01 Favored 'General case' 0 CA--C 1.554 1.099 0 CA-C-O 125.542 2.591 . . . . 0.0 112.273 177.391 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.57 -36.36 80.43 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 109.724 -3.398 . . . . 0.0 114.758 -177.407 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 62.5 mtp -65.37 -31.62 72.82 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.9 0.88 . . . . 0.0 112.984 174.246 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -78.44 -46.66 19.24 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.375 1.07 . . . . 0.0 112.394 176.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -50.29 -40.79 49.44 Favored 'General case' 0 CA--C 1.561 1.373 0 N-CA-C 115.126 1.528 . . . . 0.0 115.126 157.153 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.6 tptp -63.2 -35.7 81.19 Favored 'General case' 0 CA--C 1.551 0.986 0 O-C-N 118.555 -2.591 . . . . 0.0 112.686 169.013 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -56.14 -41.36 75.26 Favored 'General case' 0 CA--C 1.553 1.087 0 CA-C-N 121.322 1.873 . . . . 0.0 112.02 167.098 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -48.79 -54.26 15.83 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 124.12 0.968 . . . . 0.0 111.657 163.434 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.256 9.1 m-30 -71.74 -31.64 66.88 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 114.888 1.44 . . . . 0.0 114.888 -173.488 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -62.08 -33.04 73.68 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 113.331 0.863 . . . . 0.0 113.331 164.387 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -74.9 -40.39 36.12 Favored Glycine 0 CA--C 1.535 1.313 0 CA-C-N 118.943 0.792 . . . . 0.0 114.682 168.681 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.12 -35.5 73.56 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.355 1.062 . . . . 0.0 113.658 176.276 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -70.74 72.3 0.53 Allowed 'General case' 0 CA--C 1.554 1.134 0 O-C-N 121.219 -0.926 . . . . 0.0 112.656 163.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -65.12 112.51 3.42 Favored 'General case' 0 CA--C 1.55 0.946 0 CA-C-O 122.706 1.241 . . . . 0.0 113.191 177.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -69.15 142.57 54.33 Favored 'General case' 0 CA--C 1.551 1.008 0 CA-C-N 113.702 -1.59 . . . . 0.0 114.263 176.402 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -69.51 61.23 0.15 Allowed 'General case' 0 CA--C 1.549 0.92 0 CA-C-O 123.625 1.679 . . . . 0.0 115.381 -179.19 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -104.67 -172.51 2.11 Favored 'General case' 0 CA--C 1.554 1.133 0 CA-C-N 113.692 -1.595 . . . . 0.0 110.612 168.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -65.19 -62.96 1.23 Allowed 'General case' 0 CA--C 1.545 0.786 0 O-C-N 120.623 -1.298 . . . . 0.0 110.547 172.553 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.2 t -144.24 138.09 27.76 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-O 122.074 0.94 . . . . 0.0 111.789 170.061 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.5 p -66.21 -27.83 68.28 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 115.166 -0.924 . . . . 0.0 113.306 172.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -69.73 -23.48 63.4 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 114.869 1.433 . . . . 0.0 114.869 -175.508 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -66.4 -53.31 37.28 Favored 'General case' 0 CA--C 1.546 0.827 0 CA-C-N 119.505 1.048 . . . . 0.0 111.656 169.371 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.495 ' O ' HG13 ' A' ' 41' ' ' ILE . 57.0 mtp180 -59.6 -46.95 87.44 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 114.742 -1.117 . . . . 0.0 111.981 172.041 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -77.9 -5.85 52.38 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 117.396 2.369 . . . . 0.0 117.396 173.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.39 -46.94 78.07 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 119.698 -1.876 . . . . 0.0 111.55 151.564 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.3 mtp180 -73.98 -21.99 59.79 Favored 'General case' 0 CA--C 1.552 1.04 0 N-CA-C 115.878 1.807 . . . . 0.0 115.878 174.614 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.495 HG13 ' O ' ' A' ' 37' ' ' ARG . 52.6 mt -67.53 95.03 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 CA-C-O 125.208 2.433 . . . . 0.0 109.93 166.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.15 27.52 9.58 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 110.298 -3.137 . . . . 0.0 115.202 179.493 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 47.7 pt -68.91 -30.64 47.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 N-CA-C 115.217 1.562 . . . . 0.0 115.217 -175.081 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -171.42 137.63 4.46 Favored Glycine 0 CA--C 1.543 1.836 0 CA-C-O 116.56 -2.245 . . . . 0.0 113.03 175.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -62.45 -44.69 17.21 Favored 'Trans proline' 0 CA--C 1.545 1.063 0 CA-C-N 123.688 3.744 . . . . 0.0 116.674 -171.281 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.5 tmtt? -69.69 -30.06 67.62 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 119.064 0.847 . . . . 0.0 111.182 173.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -65.58 -58.42 5.82 Favored 'General case' 0 C--N 1.35 0.594 0 CA-C-O 116.084 -1.912 . . . . 0.0 108.893 175.17 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . 0.269 0.1 OUTLIER -54.85 -36.2 36.56 Favored 'Isoleucine or valine' 0 C--N 1.352 0.689 0 CA-C-N 122.377 2.353 . . . . 0.0 115.866 169.437 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 51.3 tttm -56.27 -55.24 35.73 Favored 'General case' 0 CA--C 1.551 1.0 0 CA-C-N 122.238 2.29 . . . . 0.0 112.454 170.756 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.64 -54.59 45.35 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.906 0.882 . . . . 0.0 112.83 172.718 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.404 ' HE2' HD12 ' A' ' 41' ' ' ILE . 81.6 t80 -58.98 -57.28 13.76 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 125.055 1.342 . . . . 0.0 114.053 179.533 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.3 ttpp -71.52 -28.69 64.06 Favored 'General case' 0 CA--C 1.552 1.02 0 CA-C-N 118.63 0.65 . . . . 0.0 111.113 -175.06 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.407 ' O ' HG12 ' A' ' 57' ' ' ILE . 89.1 m-20 -74.24 -46.09 43.86 Favored 'General case' 0 C--N 1.359 0.998 0 CA-C-N 121.031 1.741 . . . . 0.0 113.163 173.36 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.2 m -56.76 -43.23 80.57 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 120.089 1.313 . . . . 0.0 113.106 167.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -58.4 -45.84 87.6 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 120.133 1.333 . . . . 0.0 113.452 171.788 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -57.96 -46.63 84.82 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 120.036 1.289 . . . . 0.0 113.008 171.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.407 HG12 ' O ' ' A' ' 53' ' ' ASP . 5.0 mm -65.72 -40.73 88.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 CA-C-N 120.173 1.351 . . . . 0.0 112.319 177.13 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.0 -44.29 94.64 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 171.224 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -63.89 -41.21 97.78 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 123.662 0.785 . . . . 0.0 112.766 171.116 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -57.89 -46.56 84.73 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.454 1.102 . . . . 0.0 112.539 170.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 84.5 t -62.53 -49.17 84.92 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.703 0 CA-C-O 117.84 -1.076 . . . . 0.0 112.562 171.006 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 63.9 mtp180 -66.6 -23.62 66.21 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 121.229 1.831 . . . . 0.0 115.731 176.214 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.49 -36.66 65.82 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 120.687 1.585 . . . . 0.0 113.571 164.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -76.21 -44.17 38.94 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.1 0.96 . . . . 0.0 113.407 175.431 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 11.4 mm-40 -128.64 -62.41 1.02 Allowed 'General case' 0 CA--C 1.546 0.818 0 O-C-N 120.405 -1.435 . . . . 0.0 113.13 176.461 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . . . . . . . . 1 C--N 1.234 -4.428 0 CA-C-N 120.108 1.322 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 75.4 mmm . . . . . 0 CA--C 1.548 0.886 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 9.1 mp -60.47 -44.47 95.87 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.917 1.287 . . . . 0.0 113.575 -177.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 26.6 mp0 -59.57 -43.98 93.43 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.494 1.518 . . . . 0.0 112.897 177.712 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -62.7 -44.64 95.71 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.941 0.897 . . . . 0.0 112.381 173.43 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.2 mtpt -66.29 -36.5 83.11 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-O 117.416 -1.278 . . . . 0.0 114.291 175.477 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 15.7 mt -60.76 -47.68 92.1 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 CA-C-N 121.673 2.033 . . . . 0.0 109.626 167.473 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -56.23 -51.48 67.94 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.026 0.931 . . . . 0.0 112.83 174.148 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -66.71 -29.17 69.1 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 121.744 2.065 . . . . 0.0 114.814 178.182 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -93.44 -28.99 15.8 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 120.624 1.556 . . . . 0.0 115.016 174.198 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -107.07 33.1 4.14 Favored 'General case' 0 CA--C 1.557 1.231 0 N-CA-C 119.272 3.064 . . . . 0.0 119.272 162.207 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -49.45 -58.69 4.7 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 118.136 2.643 . . . . 0.0 118.136 177.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -155.6 -58.99 0.1 Allowed 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.518 1.127 . . . . 0.0 108.804 174.668 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 70.62 123.1 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 120.902 3.667 . . . . 0.0 120.902 167.645 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.79 -47.7 77.15 Favored 'General case' 0 CA--C 1.55 0.96 0 CA-C-N 110.036 -3.256 . . . . 0.0 109.877 149.826 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -82.81 68.01 9.11 Favored 'General case' 0 CA--C 1.551 1.009 0 CA-C-O 126.818 3.199 . . . . 0.0 113.662 176.01 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.45 -29.21 67.63 Favored 'General case' 0 CA--C 1.537 0.456 1 CA-C-N 107.471 -4.422 . . . . 0.0 113.005 176.49 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 47.8 mtm -64.99 -32.64 74.46 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.791 1.236 . . . . 0.0 113.562 171.331 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 73.4 mt -85.01 -40.56 16.73 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 121.167 -0.958 . . . . 0.0 111.585 -179.511 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 73.6 tttt -55.44 -42.1 73.76 Favored 'General case' 0 CA--C 1.557 1.244 0 N-CA-C 114.502 1.297 . . . . 0.0 114.502 157.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.2 ttpp -69.25 -21.2 63.92 Favored 'General case' 0 CA--C 1.552 1.046 0 O-C-N 119.034 -2.291 . . . . 0.0 112.691 170.518 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.2 t -65.58 -37.33 86.36 Favored 'General case' 0 CA--C 1.551 1.001 0 O-C-N 120.079 -1.638 . . . . 0.0 112.666 163.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -51.63 -54.4 28.25 Favored 'General case' 0 N--CA 1.485 1.307 0 CA-C-N 119.385 0.993 . . . . 0.0 111.009 159.542 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.295 4.8 m-30 -73.56 -19.57 60.86 Favored 'General case' 0 CA--C 1.554 1.104 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 -174.131 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.52 -48.83 80.14 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.663 1.585 . . . . 0.0 111.997 157.705 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.71 -41.03 95.61 Favored Glycine 0 CA--C 1.532 1.132 0 N-CA-C 115.418 0.927 . . . . 0.0 115.418 171.448 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.94 -43.51 87.83 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 113.741 1.015 . . . . 0.0 113.741 173.383 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -74.63 67.51 1.55 Allowed 'General case' 0 CA--C 1.556 1.201 0 CA-C-O 123.298 1.523 . . . . 0.0 112.844 177.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 70.1 ttt180 -79.0 63.07 3.59 Favored 'General case' 0 CA--C 1.553 1.093 0 CA-C-O 124.303 2.002 . . . . 0.0 112.704 175.39 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -120.42 -33.24 3.91 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 113.414 -1.721 . . . . 0.0 113.356 178.015 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -66.24 -35.54 80.69 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 114.007 1.114 . . . . 0.0 114.007 179.101 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -142.04 145.8 34.78 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.541 1.136 . . . . 0.0 109.478 178.494 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -65.77 -32.01 73.31 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 178.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 18.1 p -118.64 101.28 8.0 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 120.22 1.373 . . . . 0.0 112.548 -177.318 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.6 p -63.18 -32.7 74.16 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 115.87 1.804 . . . . 0.0 115.87 -175.039 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -67.16 -39.09 86.45 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 124.043 0.937 . . . . 0.0 113.422 174.211 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -72.77 -42.74 63.65 Favored 'General case' 0 CA--C 1.547 0.836 0 O-C-N 121.04 -1.037 . . . . 0.0 110.526 176.66 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.614 ' O ' HD12 ' A' ' 41' ' ' ILE . 64.5 ttt180 -51.92 -47.41 64.68 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 115.052 -0.976 . . . . 0.0 112.121 165.443 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -83.46 -1.22 53.07 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 117.72 2.489 . . . . 0.0 117.72 172.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.94 -32.88 74.43 Favored 'General case' 0 CA--C 1.548 0.894 0 O-C-N 119.828 -1.795 . . . . 0.0 112.086 148.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 28.5 mtt180 -73.87 -47.19 39.95 Favored 'General case' 0 CA--C 1.555 1.158 0 O-C-N 121.158 -0.964 . . . . 0.0 113.243 168.551 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.614 HD12 ' O ' ' A' ' 37' ' ' ARG 0.278 3.3 mp -67.92 86.38 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.878 0 CA-C-O 126.855 3.217 . . . . 0.0 114.257 171.27 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -100.01 13.41 34.09 Favored 'General case' 0 CA--C 1.548 0.897 1 CA-C-N 107.742 -4.299 . . . . 0.0 115.138 179.185 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 91.5 mt -63.08 -38.89 83.26 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.937 0 N-CA-C 114.428 1.27 . . . . 0.0 114.428 -167.431 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -167.88 159.86 33.25 Favored Glycine 0 CA--C 1.544 1.903 0 CA-C-O 117.934 -1.481 . . . . 0.0 115.002 175.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_exo -53.54 -50.72 12.87 Favored 'Trans proline' 0 C--N 1.36 1.162 0 C-N-CA 124.827 3.685 . . . . 0.0 115.419 174.276 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -61.34 -32.55 72.43 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 113.436 0.902 . . . . 0.0 113.436 173.134 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 3.9 t -64.29 -59.37 4.47 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-O 117.757 -1.116 . . . . 0.0 109.628 175.045 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . 0.286 0.0 OUTLIER -55.3 -38.17 46.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 N-CA-C 115.561 1.689 . . . . 0.0 115.561 172.963 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 24.8 mtpt -56.05 -55.24 35.28 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 121.601 2.001 . . . . 0.0 113.613 169.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.53 -52.61 63.13 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.587 1.155 . . . . 0.0 110.319 176.413 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.565 ' CE2' HD13 ' A' ' 41' ' ' ILE . 1.7 t80 -55.16 -55.89 26.13 Favored 'General case' 0 C--N 1.346 0.421 0 CA-C-O 117.019 -1.467 . . . . 0.0 111.481 177.294 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 47.0 mttm -57.98 -47.91 81.57 Favored 'General case' 0 C--N 1.345 0.409 0 CA-C-N 120.181 1.355 . . . . 0.0 113.638 -178.566 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -67.82 -44.05 78.18 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 120.473 1.488 . . . . 0.0 113.565 -178.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 17.5 m -62.28 -37.29 84.93 Favored 'General case' 0 CA--C 1.557 1.218 0 N-CA-C 114.038 1.125 . . . . 0.0 114.038 168.44 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.6 t -62.85 -41.72 99.47 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 120.715 1.598 . . . . 0.0 114.127 170.334 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -65.39 -31.87 73.21 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 120.682 1.583 . . . . 0.0 112.961 171.567 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 21.6 mm -62.67 -48.24 89.11 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 CA-C-N 120.595 1.543 . . . . 0.0 113.112 163.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.02 -46.67 71.89 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 123.9 0.88 . . . . 0.0 113.196 173.688 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -63.89 -32.95 74.65 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 174.464 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -68.39 -56.25 9.16 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 119.66 1.118 . . . . 0.0 112.814 166.624 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . 0.26 33.1 m -64.89 -22.89 32.3 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 CA-C-N 120.905 1.684 . . . . 0.0 115.006 -176.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 12.9 mmt85 -59.72 -19.56 50.77 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 120.916 1.689 . . . . 0.0 114.976 166.219 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.69 -25.72 44.82 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 120.399 1.454 . . . . 0.0 112.929 170.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -94.45 -46.36 7.04 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 121.622 -0.674 . . . . 0.0 112.421 173.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -115.05 -59.87 1.96 Allowed 'General case' 0 CA--C 1.546 0.798 0 O-C-N 120.883 -1.136 . . . . 0.0 113.449 -177.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . . . . . . . . 1 C--N 1.234 -4.418 0 CA-C-N 120.068 1.304 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.5 ttm . . . . . 0 CA--C 1.548 0.901 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 73.6 mt -78.0 58.99 2.07 Favored 'General case' 0 CA--C 1.552 1.047 0 CA-C-O 123.862 1.791 . . . . 0.0 114.083 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -61.02 -34.39 74.76 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 113.22 -1.809 . . . . 0.0 112.612 175.013 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 52.7 tttp -54.4 -45.57 72.96 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.308 1.443 . . . . 0.0 113.108 172.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.9 tptp -72.71 -37.13 67.89 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 119.014 0.824 . . . . 0.0 112.552 176.517 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 60.0 mt -58.85 -48.38 86.45 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 CA-C-N 119.385 0.993 . . . . 0.0 110.16 167.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -61.0 -45.16 95.94 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 116.69 -1.624 . . . . 0.0 113.556 175.283 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 -63.85 -39.18 93.61 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 124.035 3.107 . . . . 0.0 114.288 175.725 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.509 ' O ' ' HE1' ' A' ' 13' ' ' TYR . 0.5 OUTLIER -82.94 -37.92 23.48 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 114.672 1.36 . . . . 0.0 114.672 177.182 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -105.96 45.65 0.96 Allowed 'General case' 0 CA--C 1.553 1.07 0 N-CA-C 117.959 2.578 . . . . 0.0 117.959 162.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.7 28.01 0.01 OUTLIER 'General case' 0 CA--C 1.554 1.117 0 N-CA-C 119.176 3.028 . . . . 0.0 119.176 170.072 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 50.23 43.1 26.26 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 126.223 1.809 . . . . 0.0 113.65 -174.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.509 ' HE1' ' O ' ' A' ' 9' ' ' GLU . 0.6 OUTLIER -124.78 -152.32 0.51 Allowed 'General case' 0 CA--C 1.551 0.999 0 CA-C-N 115.174 -0.921 . . . . 0.0 111.678 -161.588 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 66.0 tttt -67.32 -47.37 70.73 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 126.259 1.824 . . . . 0.0 114.537 -166.14 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -83.16 80.28 9.11 Favored 'General case' 0 CA--C 1.545 0.75 0 CA-C-O 123.913 1.816 . . . . 0.0 114.106 -170.428 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.7 -46.1 77.74 Favored 'General case' 0 CA--C 1.541 0.635 0 CA-C-N 111.606 -2.543 . . . . 0.0 115.265 177.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.04 -32.62 74.43 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.15 0.98 . . . . 0.0 113.606 177.066 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 36.0 mt -85.46 -43.39 13.63 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.319 0.647 . . . . 0.0 111.463 -174.531 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.4 ptpp? -59.96 -32.64 71.0 Favored 'General case' 0 CA--C 1.549 0.914 0 O-C-N 120.696 -1.252 . . . . 0.0 113.539 161.125 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.1 ttpp -62.39 -39.98 94.98 Favored 'General case' 0 CA--C 1.549 0.922 0 CA-C-N 121.8 2.091 . . . . 0.0 111.615 167.538 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.2 m -51.73 -44.43 63.25 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 122.124 2.238 . . . . 0.0 113.125 166.299 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -50.35 -53.37 29.49 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 118.534 0.606 . . . . 0.0 112.408 166.513 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.252 6.6 m-30 -74.56 -30.53 61.77 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 114.136 1.162 . . . . 0.0 114.136 -172.824 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -62.05 -33.01 73.59 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 113.481 0.919 . . . . 0.0 113.481 163.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.43 -45.9 35.57 Favored Glycine 0 CA--C 1.537 1.466 0 CA-C-N 118.656 0.662 . . . . 0.0 114.359 167.727 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.07 -36.68 82.39 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 115.29 1.589 . . . . 0.0 115.29 -179.54 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -74.2 66.92 1.31 Allowed 'General case' 0 CA--C 1.553 1.061 0 N-CA-C 114.395 1.258 . . . . 0.0 114.395 173.256 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.48 ' HD3' ' O ' ' A' ' 29' ' ' ASN . 0.7 OUTLIER 63.68 -55.47 0.21 Allowed 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 127.154 2.181 . . . . 0.0 116.289 170.104 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.48 ' O ' ' HD3' ' A' ' 28' ' ' ARG . 28.2 t-20 71.99 146.46 0.07 Allowed 'General case' 0 CA--C 1.555 1.154 0 C-N-CA 127.488 2.315 . . . . 0.0 114.481 -171.433 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -61.91 -24.08 66.73 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 115.944 1.831 . . . . 0.0 115.944 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -101.03 144.24 30.2 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 120.233 1.379 . . . . 0.0 113.419 -174.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -69.59 -17.21 63.52 Favored 'General case' 0 CA--C 1.546 0.821 0 CA-C-N 113.641 -1.618 . . . . 0.0 114.6 172.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 89.1 m -142.71 84.34 1.84 Allowed 'General case' 0 CA--C 1.542 0.636 0 O-C-N 119.042 -2.286 . . . . 0.0 109.666 165.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 30.9 p -61.6 -20.99 63.95 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 114.016 -1.447 . . . . 0.0 114.896 -176.304 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.6 mp0 -64.73 -32.08 73.59 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.976 1.31 . . . . 0.0 113.239 174.174 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -66.26 -48.52 70.2 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-O 123.583 1.658 . . . . 0.0 111.971 171.231 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.565 ' O ' HD12 ' A' ' 41' ' ' ILE . 45.8 mmm-85 -60.88 -45.08 96.0 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 113.214 -1.812 . . . . 0.0 111.564 172.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.454 ' HA ' ' HB ' ' A' ' 41' ' ' ILE . . . -80.69 3.31 22.53 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 122.061 2.209 . . . . 0.0 116.679 171.87 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.45 -37.48 77.36 Favored 'General case' 0 CA--C 1.547 0.845 0 O-C-N 119.329 -2.107 . . . . 0.0 111.863 145.563 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 80.8 mtp180 -80.06 -40.53 27.5 Favored 'General case' 0 CA--C 1.558 1.265 0 N-CA-C 116.722 2.119 . . . . 0.0 116.722 171.457 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.565 HD12 ' O ' ' A' ' 37' ' ' ARG 0.278 2.2 mp -51.63 97.38 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.547 0.841 0 CA-C-O 126.479 3.038 . . . . 0.0 114.412 167.658 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -110.18 36.93 2.86 Favored 'General case' 0 CA--C 1.549 0.935 1 CA-C-N 108.033 -4.167 . . . . 0.0 114.342 -179.595 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 95.0 mt -68.51 -48.23 73.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 O-C-N 120.719 -1.238 . . . . 0.0 112.9 -179.412 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -177.14 149.32 9.42 Favored Glycine 0 CA--C 1.542 1.78 0 CA-C-O 116.095 -2.503 . . . . 0.0 113.185 176.436 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_exo -48.33 -57.57 2.27 Favored 'Trans proline' 0 C--N 1.36 1.174 1 C-N-CA 125.388 4.059 . . . . 0.0 117.199 -172.467 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 20.2 mtpp -66.05 -27.18 67.9 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.895 1.072 . . . . 0.0 113.895 173.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.33 -54.28 22.09 Favored 'General case' 0 C--N 1.349 0.58 0 CA-C-O 116.866 -1.54 . . . . 0.0 109.675 173.252 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -52.99 -46.7 53.99 Favored 'Isoleucine or valine' 0 C--N 1.352 0.7 0 CA-C-N 121.375 1.898 . . . . 0.0 114.318 171.065 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -55.14 -53.34 57.19 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 119.951 1.251 . . . . 0.0 113.217 174.343 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.44 -56.24 24.42 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.39 0.676 . . . . 0.0 111.723 174.517 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.456 ' HE2' HD13 ' A' ' 41' ' ' ILE . 67.1 t80 -59.3 -53.36 59.11 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.465 1.106 . . . . 0.0 113.536 -178.339 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -65.91 -44.06 86.32 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-O 118.982 -0.532 . . . . 0.0 110.922 -177.471 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.468 ' O ' HG12 ' A' ' 57' ' ' ILE . 39.9 m-20 -70.94 -43.79 67.44 Favored 'General case' 0 C--N 1.355 0.838 0 CA-C-N 119.683 1.128 . . . . 0.0 112.914 -177.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.5 m -57.98 -42.04 84.25 Favored 'General case' 0 CA--C 1.548 0.9 0 CA-C-O 117.505 -1.236 . . . . 0.0 113.658 166.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.59 -39.53 88.47 Favored 'General case' 0 CA--C 1.548 0.881 0 CA-C-N 121.518 1.963 . . . . 0.0 113.572 176.265 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -59.36 -44.67 92.66 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 123.453 0.701 . . . . 0.0 112.859 170.255 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.468 HG12 ' O ' ' A' ' 53' ' ' ASP . 6.4 mm -68.1 -35.82 73.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 O-C-N 121.383 -0.823 . . . . 0.0 112.672 174.437 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.65 -45.17 77.71 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.509 0.723 . . . . 0.0 112.864 168.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -59.55 -50.69 72.91 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 113.437 0.902 . . . . 0.0 113.437 168.612 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -57.36 -50.05 74.19 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.825 0.85 . . . . 0.0 113.097 177.601 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 76.5 t -64.19 -50.71 75.55 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.611 0 CA-C-O 118.091 -0.957 . . . . 0.0 112.736 175.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 81.6 mtt85 -74.73 -12.55 60.44 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 115.541 1.682 . . . . 0.0 115.541 -178.77 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.82 -31.72 65.01 Favored 'General case' 0 CA--C 1.545 0.769 0 O-C-N 120.258 -1.526 . . . . 0.0 113.23 161.472 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -88.92 -52.64 4.99 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.569 0.748 . . . . 0.0 112.788 176.383 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 29.5 mm100 -110.83 -58.18 2.13 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-O 117.997 -1.002 . . . . 0.0 113.211 -176.711 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . . . . . . . . 1 C--N 1.235 -4.407 0 CA-C-N 119.901 1.228 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.7 mmm . . . . . 0 CA--C 1.548 0.881 0 N-CA-C 113.912 1.079 . . . . 0.0 113.912 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -54.56 -50.03 68.94 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 115.708 1.744 . . . . 0.0 115.708 -176.325 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -63.05 -44.96 94.43 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.14 0.976 . . . . 0.0 112.162 174.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 20.5 tptt -69.4 -33.26 72.75 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -179.02 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 41.4 mmtt -72.42 -36.76 68.68 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 116.272 1.953 . . . . 0.0 116.272 169.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . 0.26 1.8 pt -59.75 -40.64 83.02 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 CA-C-N 123.469 2.85 . . . . 0.0 111.16 163.431 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -57.52 -62.59 1.67 Allowed 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 117.048 -1.453 . . . . 0.0 111.795 170.02 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -65.09 -31.54 72.79 Favored 'General case' 0 CA--C 1.549 0.905 0 CA-C-N 123.174 2.716 . . . . 0.0 115.269 -172.446 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.472 ' HG2' ' HB2' ' A' ' 50' ' ' ALA . 0.7 OUTLIER -88.74 -52.69 4.99 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 122.541 2.428 . . . . 0.0 113.996 170.502 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.41 6.92 3.24 Favored 'General case' 0 CA--C 1.557 1.223 0 CA-C-N 122.54 2.427 . . . . 0.0 116.218 172.213 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.71 -48.6 30.86 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 118.046 -2.909 . . . . 0.0 113.351 152.115 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.5 ptpp? -80.9 60.61 4.19 Favored 'General case' 0 CA--C 1.551 0.983 0 CA-C-O 123.397 1.57 . . . . 0.0 112.432 -173.539 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -52.39 -23.5 6.09 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 116.567 2.062 . . . . 0.0 116.567 -179.422 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 59.3 tptt -57.75 -36.79 72.58 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 125.768 1.627 . . . . 0.0 113.22 165.635 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -85.16 75.73 10.28 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-O 125.486 2.565 . . . . 0.0 110.525 175.728 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.68 -49.15 71.32 Favored 'General case' 0 CA--C 1.531 0.241 1 CA-C-N 107.86 -4.245 . . . . 0.0 114.804 -169.105 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 57.1 mtp -64.46 -35.3 80.5 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.647 0.779 . . . . 0.0 112.699 177.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 77.1 mt -81.39 -44.66 17.22 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-N 118.86 0.754 . . . . 0.0 112.882 -173.562 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.98 -26.67 66.03 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 118.759 -1.176 . . . . 0.0 113.004 165.511 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.7 tmtm? -67.48 -35.68 79.65 Favored 'General case' 0 CA--C 1.55 0.953 0 CA-C-N 122.021 2.191 . . . . 0.0 111.269 166.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 75.1 m -54.47 -42.38 70.59 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 122.255 2.298 . . . . 0.0 113.632 164.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -49.28 -55.83 11.43 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 122.908 0.483 . . . . 0.0 111.467 164.012 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.3 6.8 m-30 -73.22 -24.44 60.5 Favored 'General case' 0 CA--C 1.556 1.187 0 N-CA-C 114.155 1.168 . . . . 0.0 114.155 -173.496 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -60.26 -36.55 78.03 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.296 1.038 . . . . 0.0 113.381 160.089 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.95 -39.83 63.59 Favored Glycine 0 CA--C 1.532 1.109 0 CA-C-N 119.139 0.882 . . . . 0.0 115.016 167.654 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.52 -42.56 99.0 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 114.466 1.284 . . . . 0.0 114.466 177.11 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -73.46 66.8 1.0 Allowed 'General case' 0 CA--C 1.555 1.17 0 CA-C-N 120.183 1.356 . . . . 0.0 114.497 175.056 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 -71.39 54.48 0.21 Allowed 'General case' 0 CA--C 1.554 1.133 0 N-CA-C 117.485 2.402 . . . . 0.0 117.485 -178.609 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -69.41 -24.7 63.88 Favored 'General case' 0 CA--C 1.552 1.023 0 N-CA-C 115.545 1.684 . . . . 0.0 115.545 -176.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -72.22 -25.0 61.48 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 121.771 2.078 . . . . 0.0 114.46 175.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 58.51 -18.38 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 119.411 3.115 . . . . 0.0 119.411 -177.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.31 -113.84 0.0 OUTLIER 'General case' 0 CA--C 1.555 1.154 0 CA-C-N 122.996 2.634 . . . . 0.0 114.393 169.651 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 67.6 p -103.62 138.64 40.01 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 117.368 -3.332 . . . . 0.0 113.112 -178.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 41.0 t -64.12 -41.22 97.32 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 115.129 -0.941 . . . . 0.0 112.344 169.728 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.8 mp0 -69.02 -29.87 68.13 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 115.326 1.602 . . . . 0.0 115.326 -174.568 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -68.8 -52.1 33.82 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 122.981 2.628 . . . . 0.0 110.716 172.276 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.581 ' O ' HD12 ' A' ' 41' ' ' ILE . 20.1 ttt180 -46.16 -56.5 5.58 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.811 1.644 . . . . 0.0 111.936 168.045 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -84.61 -0.04 51.85 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 117.549 2.426 . . . . 0.0 117.549 176.339 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.44 -30.37 68.28 Favored 'General case' 0 CA--C 1.543 0.687 0 O-C-N 119.225 -2.172 . . . . 0.0 112.448 151.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 29.6 mmt180 -74.06 -42.49 60.14 Favored 'General case' 0 CA--C 1.55 0.976 0 N-CA-C 113.048 0.758 . . . . 0.0 113.048 168.362 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.581 HD12 ' O ' ' A' ' 37' ' ' ARG 0.297 3.5 mp -71.76 86.19 0.35 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.888 0 CA-C-O 127.12 3.343 . . . . 0.0 113.259 169.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.6 tppt? -86.25 -7.87 58.19 Favored 'General case' 0 CA--C 1.548 0.872 1 CA-C-N 106.912 -4.676 . . . . 0.0 115.684 -171.562 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 48.4 mm -58.72 -42.44 85.25 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.838 0 N-CA-C 115.691 1.737 . . . . 0.0 115.691 -158.052 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -175.48 161.82 30.97 Favored Glycine 0 CA--C 1.545 1.931 0 CA-C-O 117.712 -1.604 . . . . 0.0 115.822 176.244 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_exo -51.59 -50.92 12.39 Favored 'Trans proline' 0 C--N 1.362 1.246 1 C-N-CA 125.315 4.01 . . . . 0.0 116.288 178.659 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 45.0 mttm -63.92 -28.38 69.79 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 113.854 1.057 . . . . 0.0 113.854 172.765 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 38.8 t -68.53 -58.33 4.46 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-O 117.495 -1.241 . . . . 0.0 111.067 173.376 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -51.99 -41.23 31.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 CA-C-N 120.404 1.456 . . . . 0.0 114.892 171.134 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.1 mmpt? -63.19 -48.75 77.03 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 115.706 1.743 . . . . 0.0 115.706 172.335 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.472 ' HB2' ' HG2' ' A' ' 9' ' ' GLU . . . -53.33 -50.09 65.72 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 119.55 1.068 . . . . 0.0 110.789 169.42 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.565 ' CE2' HD13 ' A' ' 41' ' ' ILE . 2.4 t80 -55.35 -58.37 7.99 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.095 1.358 . . . . 0.0 112.443 177.538 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 20.6 tttm -63.58 -39.75 95.18 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.752 0.821 . . . . 0.0 112.957 -175.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -77.77 -36.2 50.81 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 120.828 -1.17 . . . . 0.0 114.119 178.493 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.2 m -58.27 -38.11 76.29 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-O 117.728 -1.13 . . . . 0.0 113.887 160.615 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 25.7 m -56.1 -44.54 79.17 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 121.227 1.83 . . . . 0.0 113.864 166.627 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 18.6 m-30 -59.93 -40.76 90.02 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 119.647 1.112 . . . . 0.0 113.252 172.671 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 27.1 mm -60.6 -50.78 79.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 CA-C-N 118.955 0.798 . . . . 0.0 112.726 169.717 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.38 -43.3 79.09 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 113.895 1.072 . . . . 0.0 113.895 174.637 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -64.93 -37.51 87.87 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 174.048 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 71.0 tp60 -62.83 -45.84 90.73 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 119.08 0.854 . . . . 0.0 112.496 169.08 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 69.0 t -60.34 -54.92 28.26 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.735 0 CA-C-O 117.691 -1.147 . . . . 0.0 113.189 175.025 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 16.7 ptt180 -64.51 -25.41 67.98 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 120.913 1.688 . . . . 0.0 114.799 -178.486 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.66 -30.02 68.63 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 113.51 0.93 . . . . 0.0 113.51 170.157 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -85.87 -53.51 5.06 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.534 0.734 . . . . 0.0 112.192 172.276 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -158.18 135.5 10.16 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 177.877 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . . . . . . . . 1 C--N 1.229 -4.652 0 O-C-N 121.795 -0.565 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.9 mtm . . . . . 0 CA--C 1.549 0.909 0 N-CA-C 113.533 0.938 . . . . 0.0 113.533 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 57.3 mt -71.52 -34.26 69.92 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-O 122.231 1.015 . . . . 0.0 113.387 -175.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 20.8 mp0 -62.42 -49.86 73.8 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 126.013 1.725 . . . . 0.0 113.032 -177.197 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.1 ptmm? -66.04 -29.23 69.55 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 115.662 -0.699 . . . . 0.0 112.579 175.12 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 17.6 mtpp -72.87 -31.9 65.03 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 114.921 1.452 . . . . 0.0 114.921 174.533 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.5 mt -57.6 -52.1 61.66 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.223 0 CA-C-N 120.498 1.499 . . . . 0.0 108.676 162.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -59.68 -39.79 85.7 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-O 117.607 -1.187 . . . . 0.0 112.826 178.596 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -63.91 -38.63 91.81 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 122.355 2.343 . . . . 0.0 115.121 171.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -83.46 -46.81 12.07 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 121.362 1.892 . . . . 0.0 113.258 175.313 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.19 4.64 5.37 Favored 'General case' 0 CA--C 1.555 1.145 0 N-CA-C 116.24 1.941 . . . . 0.0 116.24 166.664 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.88 -37.8 73.04 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 118.202 -2.811 . . . . 0.0 112.597 148.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 51.6 mttp -77.67 60.33 2.17 Favored 'General case' 0 CA--C 1.547 0.863 0 CA-C-O 122.812 1.292 . . . . 0.0 111.963 -175.267 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -65.38 -19.96 66.18 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 113.657 0.984 . . . . 0.0 113.657 172.295 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -64.08 -42.93 96.78 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 124.674 1.189 . . . . 0.0 112.225 163.291 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 -93.1 69.48 4.43 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-O 126.196 2.903 . . . . 0.0 110.097 177.119 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.9 -37.83 69.41 Favored 'General case' 0 CA--C 1.533 0.317 1 CA-C-N 107.382 -4.463 . . . . 0.0 114.517 -171.54 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 60.7 mtp -62.46 -37.09 84.57 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.117 0.967 . . . . 0.0 113.461 175.574 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 74.2 mt -85.48 -42.75 14.18 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 123.268 0.627 . . . . 0.0 112.079 -175.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.0 tmtt? -62.34 -36.87 83.57 Favored 'General case' 0 CA--C 1.554 1.103 0 CA-C-O 117.54 -1.219 . . . . 0.0 114.12 163.459 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.58 -25.6 63.14 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 123.882 3.037 . . . . 0.0 110.969 170.825 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.5 t -61.43 -39.46 90.86 Favored 'General case' 0 CA--C 1.552 1.035 0 CA-C-N 121.667 2.03 . . . . 0.0 112.98 166.32 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.3 t -49.07 -57.26 6.88 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.175 0.59 . . . . 0.0 110.971 159.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.296 6.0 m-30 -72.43 -19.19 61.63 Favored 'General case' 0 CA--C 1.557 1.239 0 N-CA-C 114.458 1.281 . . . . 0.0 114.458 -173.738 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -59.47 -47.73 84.37 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.463 1.105 . . . . 0.0 112.89 156.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.76 -37.77 92.91 Favored Glycine 0 N--CA 1.472 1.096 0 N-CA-C 115.124 0.81 . . . . 0.0 115.124 171.092 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.44 -47.05 80.55 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 118.063 0.932 . . . . 0.0 112.928 171.584 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -77.15 61.33 2.05 Favored 'General case' 0 CA--C 1.551 1.014 0 CA-C-O 122.829 1.299 . . . . 0.0 113.741 173.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 37.0 ttp180 -88.36 47.64 1.53 Allowed 'General case' 0 CA--C 1.553 1.074 0 CA-C-O 122.62 1.2 . . . . 0.0 112.269 178.027 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.97 -20.68 66.28 Favored 'General case' 0 CA--C 1.55 0.978 0 O-C-N 120.667 -1.27 . . . . 0.0 113.897 -172.348 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -65.27 -36.35 83.85 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 114.618 1.34 . . . . 0.0 114.618 168.367 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 50.28 39.49 20.15 Favored 'General case' 0 CA--C 1.551 1.015 0 N-CA-C 117.353 2.353 . . . . 0.0 117.353 -169.224 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -79.13 -171.11 2.51 Favored 'General case' 0 CA--C 1.555 1.143 0 O-C-N 119.999 -1.688 . . . . 0.0 112.235 162.375 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.0 p -75.35 115.85 15.45 Favored 'General case' 0 CA--C 1.542 0.665 0 O-C-N 119.197 -2.189 . . . . 0.0 110.932 168.181 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.3 p -62.65 -26.11 68.47 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 116.118 1.896 . . . . 0.0 116.118 -166.153 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.18 -25.18 65.11 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 113.536 0.939 . . . . 0.0 113.536 172.013 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -75.74 -45.91 33.89 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 120.773 1.624 . . . . 0.0 110.903 174.177 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.477 ' O ' HD12 ' A' ' 41' ' ' ILE . 67.0 ttt180 -57.19 -48.62 78.3 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.433 169.38 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.429 ' HA ' ' HB ' ' A' ' 41' ' ' ILE 0.296 . . -77.96 -10.04 59.39 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 117.369 2.359 . . . . 0.0 117.369 174.581 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.76 -34.76 78.6 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 121.205 1.82 . . . . 0.0 112.825 153.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.3 mpp_? -69.35 -43.19 74.14 Favored 'General case' 0 CA--C 1.552 1.045 0 N-CA-C 114.259 1.207 . . . . 0.0 114.259 165.247 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.538 HD13 ' CE2' ' A' ' 51' ' ' PHE 0.26 2.4 mp -60.59 -56.11 19.95 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 N-CA-C 116.645 2.091 . . . . 0.0 116.645 169.66 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -11.05 68.56 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 130.626 3.57 . . . . 0.0 118.588 -173.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 65.3 mt -71.36 -42.36 73.8 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.738 0 CA-C-N 108.93 -3.759 . . . . 0.0 110.692 166.2 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -161.97 164.28 35.26 Favored Glycine 0 CA--C 1.545 1.966 0 N-CA-C 115.99 1.156 . . . . 0.0 115.99 179.092 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_exo -53.25 -46.77 31.45 Favored 'Trans proline' 0 C--N 1.361 1.2 0 C-N-CA 125.207 3.938 . . . . 0.0 115.669 174.645 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.0 mtpm? -64.02 -31.97 73.34 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 123.962 0.905 . . . . 0.0 113.193 174.384 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 21.6 t -66.11 -60.69 2.57 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-O 117.374 -1.298 . . . . 0.0 109.767 173.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -49.67 -39.29 14.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 CA-C-N 120.877 1.671 . . . . 0.0 115.105 171.405 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.5 tptp -64.68 -52.36 57.63 Favored 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 113.955 1.094 . . . . 0.0 113.955 173.065 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.38 -48.7 62.46 Favored 'General case' 0 CA--C 1.549 0.941 0 CA-C-N 120.02 1.282 . . . . 0.0 110.608 170.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.538 ' CE2' HD13 ' A' ' 41' ' ' ILE . 2.7 t80 -55.47 -52.53 63.32 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.83 1.252 . . . . 0.0 112.274 175.126 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 32.4 mmtt -60.82 -41.79 96.43 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 115.246 1.572 . . . . 0.0 115.246 178.7 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -68.97 -42.4 76.64 Favored 'General case' 0 CA--C 1.55 0.971 0 CA-C-O 121.773 0.797 . . . . 0.0 113.125 178.033 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 19.4 m -67.02 -29.3 69.08 Favored 'General case' 0 CA--C 1.555 1.159 0 N-CA-C 114.904 1.446 . . . . 0.0 114.904 166.434 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 45.7 t -58.8 -41.71 87.39 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-N 122.268 2.304 . . . . 0.0 112.647 165.485 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -54.86 -47.96 73.55 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-O 118.35 -0.833 . . . . 0.0 112.327 166.572 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 24.3 mm -57.03 -49.36 79.69 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.142 0 N-CA-C 114.98 1.474 . . . . 0.0 114.98 168.72 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.3 -43.56 71.22 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 113.723 1.009 . . . . 0.0 113.723 174.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -67.3 -36.49 81.62 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 113.512 0.931 . . . . 0.0 113.512 173.243 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -64.4 -42.66 95.97 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 120.205 1.366 . . . . 0.0 113.046 168.503 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.426 ' O ' ' HB2' ' A' ' 65' ' ' GLN . 76.5 t -60.35 -39.1 79.92 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.77 0 CA-C-N 119.187 0.903 . . . . 0.0 112.455 172.541 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 23.0 mmt180 -68.95 -36.89 78.46 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 115.508 1.67 . . . . 0.0 115.508 167.118 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.93 -47.81 64.81 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 121.319 1.872 . . . . 0.0 113.51 171.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -83.05 57.95 4.17 Favored 'General case' 0 CA--C 1.552 1.048 0 O-C-N 120.397 -1.439 . . . . 0.0 112.146 175.168 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.426 ' HB2' ' O ' ' A' ' 61' ' ' VAL . 13.9 tt0 -137.61 -51.79 0.63 Allowed 'General case' 0 CA--C 1.545 0.774 0 O-C-N 120.989 -1.069 . . . . 0.0 113.252 -174.765 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . . . . . . . . 1 C--N 1.233 -4.457 0 CA-C-N 119.858 1.208 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 33.8 mmt . . . . . 0 CA--C 1.545 0.774 0 N-CA-C 113.494 0.924 . . . . 0.0 113.494 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 63.2 mt -81.59 70.54 8.49 Favored 'General case' 0 CA--C 1.552 1.032 0 CA-C-O 123.596 1.665 . . . . 0.0 113.248 -172.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -61.23 -37.9 84.71 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 115.13 1.53 . . . . 0.0 115.13 -179.55 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 42.7 mmtt -62.55 -29.28 70.46 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 114.226 1.195 . . . . 0.0 114.226 168.752 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 64.3 mmtt -79.23 -37.66 37.54 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-O 116.773 -1.584 . . . . 0.0 114.626 176.291 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.6 pt -56.58 -43.2 77.99 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.247 0 CA-C-N 122.373 2.351 . . . . 0.0 111.348 163.444 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -58.42 -56.39 22.79 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-O 116.482 -1.723 . . . . 0.0 111.035 171.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -58.43 -31.07 67.4 Favored 'General case' 0 CA--C 1.554 1.097 0 CA-C-N 123.913 3.051 . . . . 0.0 116.003 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -82.7 -62.86 1.49 Allowed 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 121.801 2.091 . . . . 0.0 111.941 173.403 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.52 4.57 1.32 Allowed 'General case' 0 CA--C 1.556 1.193 0 N-CA-C 117.422 2.379 . . . . 0.0 117.422 172.144 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.96 -34.17 26.51 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 123.54 2.882 . . . . 0.0 115.22 155.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 34.2 mtmm -62.74 -45.07 94.43 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 114.474 1.287 . . . . 0.0 114.474 -170.575 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER 62.19 -22.86 0.05 OUTLIER 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 118.61 2.819 . . . . 0.0 118.61 165.581 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.9 mttp -61.59 -40.3 94.3 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.028 1.331 . . . . 0.0 109.797 160.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -89.13 58.95 4.74 Favored 'General case' 0 CA--C 1.548 0.901 0 CA-C-O 123.707 1.718 . . . . 0.0 111.741 169.609 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.73 -39.52 94.35 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 112.73 -2.032 . . . . 0.0 114.225 -177.344 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 55.3 ttp -64.34 -30.47 71.51 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.613 1.165 . . . . 0.0 112.682 174.189 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 58.0 mt -87.19 -39.77 15.18 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 121.609 -0.682 . . . . 0.0 111.653 -178.109 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.34 -42.96 61.62 Favored 'General case' 0 CA--C 1.556 1.193 0 N-CA-C 115.122 1.527 . . . . 0.0 115.122 153.518 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.41 -34.24 77.31 Favored 'General case' 0 CA--C 1.553 1.082 0 O-C-N 118.855 -2.403 . . . . 0.0 111.253 171.117 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 8.7 t -61.81 -38.21 87.28 Favored 'General case' 0 CA--C 1.552 1.039 0 CA-C-N 120.526 1.512 . . . . 0.0 113.959 168.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 2.1 t -47.37 -54.88 10.04 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.565 0.746 . . . . 0.0 110.353 158.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.419 ' O ' ' HD2' ' A' ' 27' ' ' TYR 0.295 6.5 m-30 -72.38 -20.35 61.46 Favored 'General case' 0 CA--C 1.553 1.062 0 N-CA-C 114.512 1.301 . . . . 0.0 114.512 -174.822 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -58.92 -46.85 86.94 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 119.414 1.006 . . . . 0.0 113.241 156.269 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.07 -40.88 99.14 Favored Glycine 0 CA--C 1.535 1.314 0 N-CA-C 115.2 0.84 . . . . 0.0 115.2 170.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.43 -41.81 93.13 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 113.732 1.012 . . . . 0.0 113.732 174.3 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.419 ' HD2' ' O ' ' A' ' 23' ' ' TYR . 51.7 m-85 -71.52 72.47 0.72 Allowed 'General case' 0 CA--C 1.549 0.932 0 CA-C-O 123.707 1.717 . . . . 0.0 113.243 170.846 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 58.6 ttt85 -83.05 113.52 20.65 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-N 113.587 -1.642 . . . . 0.0 112.394 172.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 12.5 p30 -85.87 -112.02 0.04 OUTLIER 'General case' 0 CA--C 1.553 1.08 0 N-CA-C 113.754 1.02 . . . . 0.0 113.754 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -78.26 44.68 0.51 Allowed 'General case' 0 CA--C 1.554 1.101 0 CA-C-N 122.726 2.512 . . . . 0.0 115.391 -174.406 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 51.7 60.11 4.08 Favored 'General case' 0 CA--C 1.552 1.054 0 N-CA-C 116.818 2.155 . . . . 0.0 116.818 -177.511 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -71.99 154.53 41.11 Favored 'General case' 0 CA--C 1.554 1.118 0 N-CA-C 115.343 1.609 . . . . 0.0 115.343 178.362 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 32.1 m -78.99 109.83 13.65 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 120.311 -1.493 . . . . 0.0 110.747 173.151 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 54.1 m -59.34 -42.86 92.47 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 116.649 2.092 . . . . 0.0 116.649 -163.443 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -77.82 -19.2 55.36 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 120.342 1.428 . . . . 0.0 114.121 177.421 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.0 tm-20 -75.03 -48.4 24.24 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 120.479 1.49 . . . . 0.0 109.851 167.223 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.545 ' O ' HD12 ' A' ' 41' ' ' ILE . 20.6 ttt180 -53.04 -49.99 65.18 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.93 1.292 . . . . 0.0 111.619 171.165 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -91.57 11.31 24.64 Favored 'General case' 0 CA--C 1.55 0.973 0 N-CA-C 116.699 2.111 . . . . 0.0 116.699 173.769 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.14 -34.1 65.89 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 119.015 -2.303 . . . . 0.0 112.192 144.525 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 28.2 mmt180 -69.28 -47.23 65.18 Favored 'General case' 0 CA--C 1.55 0.979 0 O-C-N 121.654 -0.654 . . . . 0.0 111.847 169.543 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.545 HD12 ' O ' ' A' ' 37' ' ' ARG . 3.4 mp -70.46 83.76 0.23 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.945 0 CA-C-O 127.224 3.393 . . . . 0.0 112.49 165.045 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.76 -4.79 58.87 Favored 'General case' 0 CA--C 1.548 0.892 1 CA-C-N 107.001 -4.636 . . . . 0.0 115.215 -169.62 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 63.1 mt -61.38 -36.97 76.49 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.949 0 N-CA-C 114.898 1.444 . . . . 0.0 114.898 -160.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -173.31 162.25 33.37 Favored Glycine 0 CA--C 1.547 2.034 0 CA-C-N 120.606 1.548 . . . . 0.0 116.568 174.362 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_exo -53.17 -48.67 20.82 Favored 'Trans proline' 0 C--N 1.361 1.229 0 C-N-CA 125.138 3.892 . . . . 0.0 115.52 173.495 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 32.5 mmtt -66.44 -25.34 66.7 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 114.038 1.125 . . . . 0.0 114.038 172.551 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 11.1 t -67.22 -60.2 2.8 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 117.232 -1.366 . . . . 0.0 109.266 171.727 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -48.7 -42.72 13.34 Favored 'Isoleucine or valine' 0 C--N 1.353 0.741 0 CA-C-N 120.734 1.607 . . . . 0.0 114.993 170.861 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.63 -54.25 45.38 Favored 'General case' 0 CA--C 1.555 1.151 0 N-CA-C 114.771 1.397 . . . . 0.0 114.771 175.062 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.21 -47.12 72.47 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.772 1.229 . . . . 0.0 110.848 169.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.537 ' CE2' HD13 ' A' ' 41' ' ' ILE . 4.0 t80 -55.5 -53.41 56.71 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.385 1.474 . . . . 0.0 112.699 176.594 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 52.2 tptt -64.47 -37.7 88.45 Favored 'General case' 0 CA--C 1.55 0.952 0 CA-C-N 118.962 0.801 . . . . 0.0 113.046 179.296 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -61.91 -50.52 71.84 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 119.838 1.199 . . . . 0.0 113.328 172.3 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 2.7 m -60.43 -30.99 69.98 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 115.237 1.569 . . . . 0.0 115.237 168.699 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 53.9 t -58.33 -44.85 88.87 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 122.034 2.197 . . . . 0.0 112.622 165.731 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -57.83 -41.51 82.43 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 113.939 1.089 . . . . 0.0 113.939 169.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.0 mp -64.77 -42.83 96.04 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 N-CA-C 114.859 1.429 . . . . 0.0 114.859 168.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.1 -44.89 79.5 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 123.938 0.895 . . . . 0.0 112.984 171.42 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -61.9 -42.54 99.19 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.106 0.962 . . . . 0.0 113.305 169.494 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -60.03 -54.16 49.29 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-O 118.164 -0.922 . . . . 0.0 113.347 172.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 4.5 p -68.61 -22.87 27.28 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.959 0 CA-C-N 120.362 1.437 . . . . 0.0 113.47 179.522 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.45 -45.3 94.84 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 120.886 -1.134 . . . . 0.0 112.658 166.064 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -84.65 -53.74 5.18 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 114.01 1.115 . . . . 0.0 114.01 177.59 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -80.8 68.22 6.96 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-O 123.383 1.563 . . . . 0.0 112.52 -175.275 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -90.98 130.98 36.85 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 114.582 -1.19 . . . . 0.0 113.745 175.173 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . . . . . . . . 1 C--N 1.23 -4.598 0 CA-C-N 117.942 0.337 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.8 mtp . . . . . 0 CA--C 1.545 0.771 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 37.4 mt 55.8 -84.07 0.01 OUTLIER 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 126.703 2.001 . . . . 0.0 114.472 176.532 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -65.98 -46.1 79.25 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.299 1.44 . . . . 0.0 111.343 -179.025 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 60.0 mtmt -63.12 -25.64 68.45 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 113.524 0.935 . . . . 0.0 113.524 172.589 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 12.7 tptp -71.31 -44.32 65.38 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.212 1.005 . . . . 0.0 112.975 176.048 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.7 mp -58.28 -49.99 79.99 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.357 0 CA-C-N 119.877 1.217 . . . . 0.0 109.748 166.551 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -60.71 -50.19 74.5 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 115.155 -2.355 . . . . 0.0 113.815 -178.787 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . 0.267 0.1 OUTLIER -71.66 -17.55 62.24 Favored 'General case' 0 CA--C 1.545 0.762 1 CA-C-N 126.004 4.002 . . . . 0.0 114.516 175.606 . . . . . . . . 4 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -78.91 -67.13 0.78 Allowed 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 122.216 2.28 . . . . 0.0 112.146 164.465 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.35 -6.66 31.22 Favored 'General case' 0 CA--C 1.551 0.999 0 N-CA-C 118.448 2.758 . . . . 0.0 118.448 178.745 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.62 -46.14 19.96 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 124.941 3.519 . . . . 0.0 112.199 156.759 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 46.5 mmtm -85.0 68.35 10.53 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-O 123.3 1.524 . . . . 0.0 111.0 -175.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -52.58 -10.61 0.16 Allowed 'General case' 0 CA--C 1.55 0.961 0 N-CA-C 116.451 2.019 . . . . 0.0 116.451 175.692 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -59.98 -31.0 69.5 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.476 1.11 . . . . 0.0 112.81 161.38 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 16.8 m-30 -82.79 59.04 4.59 Favored 'General case' 0 CA--C 1.549 0.941 0 CA-C-O 122.901 1.334 . . . . 0.0 110.361 172.155 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.23 -51.69 67.18 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 115.885 1.809 . . . . 0.0 115.885 -164.564 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 34.7 ttm -66.99 -32.71 74.12 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.418 1.087 . . . . 0.0 112.671 176.485 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 69.4 mt -82.37 -37.79 25.11 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.482 0.713 . . . . 0.0 112.524 -175.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -69.59 -29.45 66.99 Favored 'General case' 0 CA--C 1.546 0.804 0 O-C-N 120.742 -1.224 . . . . 0.0 112.084 164.441 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 47.5 tttm -65.76 -33.84 76.8 Favored 'General case' 0 CA--C 1.551 0.992 0 CA-C-N 121.784 2.084 . . . . 0.0 111.176 166.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.2 t -60.63 -40.54 92.31 Favored 'General case' 0 CA--C 1.553 1.072 0 CA-C-N 120.391 1.45 . . . . 0.0 113.229 167.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -48.77 -55.98 9.95 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.772 0.829 . . . . 0.0 111.58 160.376 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.281 10.0 m-30 -73.64 -22.43 59.99 Favored 'General case' 0 CA--C 1.551 0.994 0 N-CA-C 115.004 1.483 . . . . 0.0 115.004 -173.308 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -58.04 -49.25 77.52 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.607 1.163 . . . . 0.0 111.025 158.738 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.19 -33.63 87.43 Favored Glycine 0 CA--C 1.534 1.254 0 N-CA-C 116.199 1.24 . . . . 0.0 116.199 171.664 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.01 -38.59 89.21 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 118.84 1.32 . . . . 0.0 112.66 169.787 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -72.18 74.71 0.96 Allowed 'General case' 0 CA--C 1.556 1.204 0 CA-C-O 122.837 1.304 . . . . 0.0 111.482 164.628 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.88 129.54 36.35 Favored 'General case' 0 CA--C 1.549 0.91 0 O-C-N 120.381 -1.45 . . . . 0.0 113.173 176.468 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -86.87 140.36 29.73 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 123.987 0.915 . . . . 0.0 112.762 -178.286 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -64.77 -29.62 70.6 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 115.07 1.507 . . . . 0.0 115.07 176.722 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -92.2 -59.3 2.13 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.071 0.948 . . . . 0.0 111.82 -172.254 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -77.15 157.6 30.88 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-O 122.536 1.16 . . . . 0.0 113.932 173.741 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.7 t -95.91 156.67 16.23 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 121.063 -1.023 . . . . 0.0 111.003 159.359 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 90.4 m -58.53 -37.92 76.65 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 115.269 1.581 . . . . 0.0 115.269 -166.679 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.5 mp0 -68.41 -48.12 65.47 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.645 1.178 . . . . 0.0 114.116 -169.58 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.2 mp0 -67.23 -43.87 80.91 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.134 0.974 . . . . 0.0 112.666 176.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.55 ' O ' HD12 ' A' ' 41' ' ' ILE . 41.3 ttt180 -56.45 -48.53 76.86 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 114.933 -1.031 . . . . 0.0 111.715 169.308 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.409 ' HA ' ' HB ' ' A' ' 41' ' ' ILE . . . -76.97 -18.02 58.51 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 117.479 2.4 . . . . 0.0 117.479 175.369 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.99 -31.52 71.89 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-N 120.784 1.629 . . . . 0.0 112.882 158.502 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 43.2 ttp180 -74.27 -45.58 46.87 Favored 'General case' 0 CA--C 1.556 1.173 0 CA-C-O 117.511 -1.233 . . . . 0.0 113.897 165.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.553 HD13 ' CE2' ' A' ' 51' ' ' PHE . 2.0 mp -54.57 -52.82 36.97 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.195 0 CA-C-N 122.521 2.419 . . . . 0.0 115.928 168.016 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.8 ttpm? -9.47 69.89 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 130.518 3.527 . . . . 0.0 118.138 177.528 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.406 HG13 ' O ' ' A' ' 41' ' ' ILE . 66.8 mt -73.52 -42.1 56.05 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.676 1 CA-C-N 108.045 -4.161 . . . . 0.0 110.039 163.177 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -157.14 158.93 29.29 Favored Glycine 0 CA--C 1.545 1.959 0 CA-C-O 118.194 -1.337 . . . . 0.0 115.339 178.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -52.19 -44.58 45.09 Favored 'Trans proline' 0 C--N 1.361 1.188 0 C-N-CA 125.065 3.843 . . . . 0.0 115.55 172.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 28.9 tttm -66.83 -30.81 71.09 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 123.966 0.906 . . . . 0.0 112.255 176.418 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 35.8 t -66.64 -60.93 2.27 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-O 117.294 -1.336 . . . . 0.0 110.107 172.269 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -48.29 -39.85 9.64 Favored 'Isoleucine or valine' 0 C--N 1.353 0.752 0 CA-C-N 120.954 1.707 . . . . 0.0 114.85 172.245 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.4 tptp -70.76 -46.38 63.06 Favored 'General case' 0 CA--C 1.554 1.124 0 CA-C-O 117.092 -1.433 . . . . 0.0 114.656 174.362 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -49.42 -49.21 45.99 Favored 'General case' 0 N--CA 1.485 1.294 0 CA-C-N 122.689 2.495 . . . . 0.0 110.539 164.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.553 ' CE2' HD13 ' A' ' 41' ' ' ILE . 3.3 t80 -55.76 -57.5 11.77 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.24 1.416 . . . . 0.0 112.658 176.223 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 54.2 tptt -62.52 -37.67 86.98 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 113.799 1.037 . . . . 0.0 113.799 -179.392 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -73.99 -38.52 64.1 Favored 'General case' 0 CA--C 1.547 0.848 0 O-C-N 120.6 -1.312 . . . . 0.0 113.764 176.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.6 m -63.77 -32.68 74.26 Favored 'General case' 0 CA--C 1.549 0.935 0 O-C-N 120.632 -1.292 . . . . 0.0 114.35 163.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 50.3 t -58.79 -40.69 84.76 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-N 120.785 1.63 . . . . 0.0 112.955 166.337 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -56.44 -47.97 78.01 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-O 117.677 -1.154 . . . . 0.0 112.63 166.574 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 34.9 mm -56.2 -51.4 63.26 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 CA-C-N 120.477 1.489 . . . . 0.0 113.72 169.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.43 -48.21 74.77 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 114.313 1.227 . . . . 0.0 114.313 177.524 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 66.8 m-80 -70.23 -30.41 67.48 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 114.033 1.123 . . . . 0.0 114.033 174.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -62.4 -48.62 78.93 Favored 'General case' 0 CA--C 1.547 0.847 0 CA-C-N 119.623 1.101 . . . . 0.0 112.195 167.125 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 97.0 t -63.5 -34.49 67.79 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.892 0 C-N-CA 123.88 0.872 . . . . 0.0 112.749 173.077 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -62.22 -55.72 25.71 Favored 'General case' 0 CA--C 1.547 0.863 0 O-C-N 120.834 -1.166 . . . . 0.0 112.489 168.049 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.99 -21.39 66.84 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 115.234 1.568 . . . . 0.0 115.234 179.607 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -61.98 -26.83 68.45 Favored 'General case' 0 CA--C 1.55 0.951 0 N-CA-C 113.998 1.11 . . . . 0.0 113.998 165.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -98.0 -48.67 5.05 Favored 'General case' 0 CA--C 1.546 0.795 0 O-C-N 120.458 -1.401 . . . . 0.0 114.335 -175.561 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . . . . . . . . 1 C--N 1.233 -4.488 0 CA-C-N 120.204 1.365 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.4 mtp . . . . . 0 CA--C 1.545 0.77 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.425 ' O ' HD12 ' A' ' 6' ' ' ILE . 84.1 mt -131.32 134.47 46.38 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-O 123.37 1.557 . . . . 0.0 114.742 -168.784 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -56.15 -37.22 69.23 Favored 'General case' 0 CA--C 1.55 0.959 0 CA-C-N 112.737 -2.029 . . . . 0.0 112.487 173.614 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 20.4 tptt -59.11 -38.23 79.08 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 125.409 1.483 . . . . 0.0 113.875 169.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -71.95 -38.01 69.88 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 120.493 -1.379 . . . . 0.0 113.382 176.599 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.425 HD12 ' O ' ' A' ' 2' ' ' LEU . 4.7 mp -58.82 -47.72 88.44 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.293 0 CA-C-N 120.07 1.305 . . . . 0.0 110.377 166.558 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -53.76 -58.06 8.61 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-O 117.304 -1.332 . . . . 0.0 111.253 173.489 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -71.45 -7.83 49.94 Favored 'General case' 0 CA--C 1.555 1.147 0 CA-C-N 123.541 2.882 . . . . 0.0 115.124 -175.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -86.85 -69.41 0.68 Allowed 'General case' 0 CA--C 1.548 0.882 0 O-C-N 119.555 -1.966 . . . . 0.0 111.792 156.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.46 0.95 5.67 Favored 'General case' 0 CA--C 1.557 1.22 0 N-CA-C 118.622 2.823 . . . . 0.0 118.622 -178.631 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.39 -35.3 27.83 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 117.569 -3.207 . . . . 0.0 113.734 159.676 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 39.8 mmtm -72.12 -41.63 67.0 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 114.513 1.301 . . . . 0.0 114.513 -171.753 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 62.09 -26.96 0.06 Allowed 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 117.467 2.395 . . . . 0.0 117.467 173.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.3 mtmm -60.06 -36.78 78.09 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.885 1.674 . . . . 0.0 112.514 166.059 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -77.01 62.33 2.13 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-O 123.156 1.455 . . . . 0.0 111.739 167.193 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.15 -50.8 72.64 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 112.825 -1.989 . . . . 0.0 115.432 -167.263 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 32.6 ttm -65.64 -29.82 70.44 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.938 0.895 . . . . 0.0 112.494 177.124 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 56.3 mt -85.52 -41.69 15.09 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.787 0.835 . . . . 0.0 112.097 -174.739 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.62 -28.2 69.46 Favored 'General case' 0 CA--C 1.548 0.894 0 O-C-N 120.338 -1.476 . . . . 0.0 112.626 162.295 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.4 tmtm? -65.7 -36.82 84.73 Favored 'General case' 0 CA--C 1.552 1.025 0 CA-C-N 121.786 2.085 . . . . 0.0 111.56 166.469 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 97.3 m -54.34 -41.98 69.71 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 121.838 2.108 . . . . 0.0 114.022 164.434 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -50.01 -54.46 20.0 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.243 0.617 . . . . 0.0 111.594 164.042 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.264 5.7 m-30 -73.47 -21.43 60.44 Favored 'General case' 0 CA--C 1.55 0.972 0 N-CA-C 113.858 1.059 . . . . 0.0 113.858 -175.225 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -60.59 -43.4 97.43 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 119.15 0.886 . . . . 0.0 113.123 159.225 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.15 -40.92 95.14 Favored Glycine 0 CA--C 1.535 1.335 0 CA-C-O 119.088 -0.84 . . . . 0.0 115.141 171.76 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.49 -48.48 69.69 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 118.609 1.205 . . . . 0.0 113.763 175.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -80.32 55.46 2.24 Favored 'General case' 0 CA--C 1.549 0.933 0 CA-C-O 122.999 1.38 . . . . 0.0 112.494 174.505 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 58.7 ttp180 -75.02 120.05 20.02 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 114.989 -1.005 . . . . 0.0 112.174 178.27 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 21.1 m120 -68.86 101.53 1.37 Allowed 'General case' 0 CA--C 1.546 0.805 0 CA-C-O 121.898 0.856 . . . . 0.0 110.607 163.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -69.25 64.06 0.15 Allowed 'General case' 0 CA--C 1.548 0.873 0 CA-C-O 123.638 1.685 . . . . 0.0 115.135 -172.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -123.94 -73.43 0.64 Allowed 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 113.531 -1.668 . . . . 0.0 111.694 173.379 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 52.6 tt0 -75.2 152.47 38.37 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 124.421 1.089 . . . . 0.0 113.391 168.011 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.1 p -74.57 141.66 44.75 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 121.052 -1.03 . . . . 0.0 113.084 172.188 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 31.5 p -64.54 -31.03 72.08 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 116.004 1.853 . . . . 0.0 116.004 -164.556 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -69.03 -28.84 66.93 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 114.731 1.382 . . . . 0.0 114.731 179.379 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.1 mp0 -72.24 -45.48 60.04 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 120.383 1.447 . . . . 0.0 111.671 172.484 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.525 ' O ' HD12 ' A' ' 41' ' ' ILE . 35.9 ttm180 -60.52 -47.89 84.16 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 113.764 -1.562 . . . . 0.0 111.355 173.14 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -80.08 -2.46 44.48 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 116.604 2.076 . . . . 0.0 116.604 171.452 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.68 -30.14 67.74 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 119.407 -2.058 . . . . 0.0 112.66 151.345 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -75.17 -39.21 60.47 Favored 'General case' 0 CA--C 1.549 0.92 0 O-C-N 120.362 -1.461 . . . . 0.0 114.715 162.565 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.533 HD13 ' CE2' ' A' ' 51' ' ' PHE 0.305 3.2 mp -69.81 82.4 0.18 Allowed 'Isoleucine or valine' 0 CA--C 1.552 1.037 0 CA-C-O 127.105 3.336 . . . . 0.0 113.705 168.379 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 55.2 mttp -95.38 16.83 15.81 Favored 'General case' 0 CA--C 1.547 0.831 1 CA-C-N 107.646 -4.343 . . . . 0.0 115.652 -176.53 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 82.5 mt -64.41 -36.85 78.41 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.917 0 CA-C-N 119.803 1.183 . . . . 0.0 113.249 -172.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -178.58 163.1 30.75 Favored Glycine 0 CA--C 1.545 1.909 0 CA-C-O 118.28 -1.289 . . . . 0.0 115.452 171.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo -52.51 -44.94 43.35 Favored 'Trans proline' 0 C--N 1.36 1.177 0 C-N-CA 124.983 3.789 . . . . 0.0 115.489 172.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 51.0 tttm -68.81 -27.86 66.24 Favored 'General case' 0 CA--C 1.55 0.981 0 C-N-CA 124.235 1.014 . . . . 0.0 112.413 176.559 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 37.9 t -68.56 -56.71 7.39 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-O 117.332 -1.318 . . . . 0.0 111.685 170.5 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -52.11 -38.72 24.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 CA-C-N 121.244 1.838 . . . . 0.0 115.213 170.18 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 58.3 tttm -55.06 -59.71 4.38 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 123.75 0.82 . . . . 0.0 113.147 168.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.33 -48.85 65.23 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 124.4 1.08 . . . . 0.0 111.786 172.545 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.533 ' CE2' HD13 ' A' ' 41' ' ' ILE . 2.5 t80 -57.06 -54.2 49.45 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.957 1.303 . . . . 0.0 112.807 177.308 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.434 ' O ' ' HD1' ' A' ' 56' ' ' TYR . 12.0 mmtt -64.51 -41.3 96.5 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 -179.417 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -65.97 -43.66 87.2 Favored 'General case' 0 CA--C 1.547 0.848 0 O-C-N 121.686 -0.634 . . . . 0.0 112.641 175.649 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 6.8 m -66.79 -25.75 66.61 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 115.585 1.698 . . . . 0.0 115.585 167.118 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 41.9 t -60.32 -38.21 82.99 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 122.542 2.428 . . . . 0.0 112.01 163.257 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.434 ' HD1' ' O ' ' A' ' 52' ' ' LYS . 36.5 m-85 -61.03 -41.69 97.05 Favored 'General case' 0 CA--C 1.546 0.804 0 O-C-N 121.05 -1.032 . . . . 0.0 113.239 166.447 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 25.2 mm -58.44 -45.28 89.94 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 CA-C-N 120.509 1.504 . . . . 0.0 114.269 166.512 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.541 ' O ' ' HG2' ' A' ' 62' ' ' ARG . . . -51.18 -50.45 58.98 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.17 0.588 . . . . 0.0 112.126 172.604 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -61.21 -45.62 93.8 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 172.372 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -57.91 -42.43 84.69 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 124.685 1.194 . . . . 0.0 112.93 174.471 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 78.5 t -66.78 -53.02 38.76 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 CA-C-O 117.275 -1.345 . . . . 0.0 112.593 170.371 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.541 ' HG2' ' O ' ' A' ' 58' ' ' ALA . 68.6 mmt-85 -64.51 -27.88 69.28 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 121.633 2.015 . . . . 0.0 114.364 -177.246 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.31 -28.74 66.52 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 119.632 1.105 . . . . 0.0 113.907 168.722 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -89.05 -47.46 8.1 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 123.96 0.904 . . . . 0.0 112.209 175.601 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -140.7 -48.15 0.42 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.87 -1.144 . . . . 0.0 113.352 -178.452 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . . . . . . . . 1 C--N 1.234 -4.452 0 CA-C-N 120.388 1.449 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.0 mmm . . . . . 0 CA--C 1.543 0.688 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 85.3 mt -124.03 116.37 22.72 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-O 123.174 1.464 . . . . 0.0 113.98 -171.607 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 21.7 mp0 -60.35 -34.96 74.59 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 114.082 -1.417 . . . . 0.0 113.565 170.4 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -59.63 -36.27 76.03 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.437 1.095 . . . . 0.0 112.943 170.19 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 61.3 mmtt -78.77 -29.04 44.83 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-O 116.568 -1.682 . . . . 0.0 114.87 173.022 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 10.6 mt -57.9 -45.4 87.59 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 CA-C-N 122.893 2.588 . . . . 0.0 109.226 162.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -59.55 -63.17 1.4 Allowed 'General case' 0 C--O 1.218 -0.598 0 CA-C-O 116.599 -1.667 . . . . 0.0 111.236 172.216 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -63.05 -24.41 67.9 Favored 'General case' 0 CA--C 1.556 1.205 0 CA-C-N 124.906 3.503 . . . . 0.0 115.001 -175.661 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -83.58 -62.81 1.48 Allowed 'General case' 0 CA--C 1.547 0.847 0 O-C-N 119.609 -1.932 . . . . 0.0 111.957 169.744 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -79.61 17.69 0.85 Allowed 'General case' 0 CA--C 1.558 1.263 0 N-CA-C 118.571 2.804 . . . . 0.0 118.571 172.655 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -84.57 -53.9 5.09 Favored 'General case' 0 N--CA 1.473 0.719 0 O-C-N 117.439 -3.288 . . . . 0.0 114.893 159.768 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.7 mttp -70.93 -27.92 64.12 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 114.467 1.284 . . . . 0.0 114.467 -166.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 61.46 -14.84 0.04 OUTLIER 'General case' 0 CA--C 1.552 1.023 0 N-CA-C 117.344 2.35 . . . . 0.0 117.344 171.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -55.26 -51.31 67.05 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.957 1.703 . . . . 0.0 112.991 169.367 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -80.43 66.63 6.0 Favored 'General case' 0 CA--C 1.552 1.032 0 CA-C-O 125.188 2.423 . . . . 0.0 112.07 167.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.68 -39.98 78.38 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 109.716 -3.402 . . . . 0.0 115.184 -174.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 59.1 mtp -66.17 -31.82 72.89 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 176.458 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 69.0 mt -85.88 -41.96 14.53 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.665 0.786 . . . . 0.0 111.843 -176.728 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.6 tmtt? -56.16 -39.03 71.71 Favored 'General case' 0 CA--C 1.556 1.199 0 N-CA-C 114.554 1.316 . . . . 0.0 114.554 156.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.7 tmtm? -66.72 -31.41 72.04 Favored 'General case' 0 CA--C 1.551 0.983 0 O-C-N 118.752 -2.468 . . . . 0.0 111.767 172.467 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.1 t -62.95 -37.3 86.51 Favored 'General case' 0 CA--C 1.553 1.089 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 166.771 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.3 t -46.85 -55.49 7.88 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 118.972 0.805 . . . . 0.0 110.503 158.234 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.319 5.8 m-30 -71.09 -23.18 62.07 Favored 'General case' 0 CA--C 1.556 1.202 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 -175.042 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -56.66 -44.57 81.51 Favored 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 114.63 1.344 . . . . 0.0 114.63 157.389 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.9 -45.41 93.67 Favored Glycine 0 CA--C 1.534 1.275 0 CA-C-O 119.678 -0.512 . . . . 0.0 114.227 168.057 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.17 -50.58 67.59 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 115.035 1.494 . . . . 0.0 115.035 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . 0.348 2.2 p90 -76.76 63.93 2.25 Favored 'General case' 0 CA--C 1.554 1.104 0 CA-C-N 122.901 2.591 . . . . 0.0 114.466 177.765 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 54.8 ttt-85 -92.19 131.9 37.07 Favored 'General case' 0 CA--C 1.549 0.926 0 O-C-N 121.276 -0.89 . . . . 0.0 113.058 177.006 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -105.17 143.69 33.0 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 123.758 0.823 . . . . 0.0 112.095 168.172 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -72.46 69.44 0.84 Allowed 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 115.859 1.8 . . . . 0.0 115.859 -174.554 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -136.61 -65.11 0.57 Allowed 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 112.557 -2.11 . . . . 0.0 111.906 168.578 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -71.98 161.61 30.67 Favored 'General case' 0 CA--C 1.551 1.008 0 N-CA-C 114.436 1.273 . . . . 0.0 114.436 171.325 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 13.5 t -112.64 148.94 33.56 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 119.933 -1.729 . . . . 0.0 111.982 170.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 41.5 t -55.72 -50.95 68.96 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 114.916 1.45 . . . . 0.0 114.916 -162.371 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.452 ' H ' ' CD ' ' A' ' 35' ' ' GLU . 0.8 OUTLIER -76.72 -23.46 53.09 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 113.794 1.035 . . . . 0.0 113.794 -177.747 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -72.39 -49.35 34.55 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.0 0.92 . . . . 0.0 110.888 167.496 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.581 ' O ' HD12 ' A' ' 41' ' ' ILE . 29.3 ttp85 -57.33 -47.32 81.88 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.258 172.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -88.24 5.81 39.87 Favored 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 117.202 2.297 . . . . 0.0 117.202 173.515 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.23 -35.62 73.98 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 119.176 -2.203 . . . . 0.0 111.895 147.055 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 32.9 mtp180 -71.07 -43.01 68.63 Favored 'General case' 0 CA--C 1.552 1.023 0 N-CA-C 114.101 1.149 . . . . 0.0 114.101 169.349 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.581 HD12 ' O ' ' A' ' 37' ' ' ARG 0.262 3.4 mp -70.58 87.29 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.961 0 CA-C-O 126.833 3.206 . . . . 0.0 113.153 165.472 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 33.9 mtmm -86.51 -6.56 58.86 Favored 'General case' 0 CA--C 1.544 0.719 1 CA-C-N 107.565 -4.379 . . . . 0.0 116.34 -174.542 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 46.5 mm -61.14 -36.7 74.36 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.858 0 N-CA-C 115.236 1.569 . . . . 0.0 115.236 -158.352 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -171.42 160.19 32.19 Favored Glycine 0 CA--C 1.545 1.95 0 CA-C-N 120.256 1.389 . . . . 0.0 115.856 175.434 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_exo -52.83 -49.77 16.39 Favored 'Trans proline' 0 C--N 1.361 1.235 0 C-N-CA 124.989 3.792 . . . . 0.0 115.243 173.363 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 48.2 mtpt -64.0 -27.68 69.29 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 113.589 0.959 . . . . 0.0 113.589 171.715 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 6.4 t -66.62 -59.93 3.16 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-O 117.345 -1.312 . . . . 0.0 109.113 174.33 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -50.71 -42.87 23.25 Favored 'Isoleucine or valine' 0 C--N 1.353 0.729 0 CA-C-N 120.585 1.539 . . . . 0.0 115.124 172.13 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.92 -56.81 17.43 Favored 'General case' 0 CA--C 1.551 0.998 0 N-CA-C 115.045 1.498 . . . . 0.0 115.045 174.728 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.89 -46.83 74.86 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.367 1.067 . . . . 0.0 110.93 171.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.563 ' CE2' HD13 ' A' ' 41' ' ' ILE . 3.1 t80 -53.8 -55.29 27.8 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.19 1.396 . . . . 0.0 112.445 176.338 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.0 tmtm? -64.3 -40.0 95.05 Favored 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 113.923 1.083 . . . . 0.0 113.923 -178.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 -67.18 -41.2 86.29 Favored 'General case' 0 CA--C 1.551 1.002 0 O-C-N 120.772 -1.205 . . . . 0.0 114.054 173.737 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 6.1 m -65.08 -29.94 70.85 Favored 'General case' 0 CA--C 1.55 0.951 0 N-CA-C 115.068 1.507 . . . . 0.0 115.068 167.122 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 60.9 m -58.67 -38.31 77.9 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 121.961 2.164 . . . . 0.0 113.121 162.151 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -60.09 -43.57 95.44 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-O 116.148 -1.882 . . . . 0.0 113.413 168.383 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.504 2.2 pp -69.15 -29.6 43.37 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 CA-C-N 123.767 2.985 . . . . 0.0 115.736 167.827 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.98 -41.39 78.31 Favored 'General case' 0 CA--C 1.549 0.929 0 CA-C-N 122.097 2.226 . . . . 0.0 112.901 168.191 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -68.06 -42.13 80.95 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 168.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.776 HE21 ' N ' ' A' ' 66' ' ' SER . 36.8 mt-30 -64.17 -28.67 69.92 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 120.886 1.675 . . . . 0.0 114.363 171.284 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 77.7 t -62.55 -51.08 76.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 CA-C-N 120.78 1.627 . . . . 0.0 111.609 164.029 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 77.2 mtt85 -60.16 -41.05 91.97 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 114.973 1.471 . . . . 0.0 114.973 175.134 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -84.42 7.09 20.85 Favored 'General case' 0 CA--C 1.55 0.975 0 N-CA-C 114.875 1.435 . . . . 0.0 114.875 173.247 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 63.8 -44.25 0.26 Allowed 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 126.963 2.105 . . . . 0.0 115.297 -179.31 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -99.03 129.35 45.31 Favored 'General case' 0 CA--C 1.547 0.843 0 O-C-N 120.947 -1.096 . . . . 0.0 112.906 172.361 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.776 ' N ' HE21 ' A' ' 60' ' ' GLN . . . . . . . . 1 C--N 1.231 -4.55 0 O-C-N 121.347 -0.846 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 30.5 ttp . . . . . 0 CA--C 1.547 0.831 0 N-CA-C 113.052 0.76 . . . . 0.0 113.052 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 76.6 mt -82.05 43.25 0.77 Allowed 'General case' 0 CA--C 1.557 1.213 0 O-C-N 119.935 -1.728 . . . . 0.0 115.351 -175.543 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -62.86 -36.85 84.61 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.485 1.114 . . . . 0.0 113.383 178.705 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 57.2 mtmt -61.08 -28.55 69.16 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 113.982 1.104 . . . . 0.0 113.982 169.663 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 15.3 tptp -78.23 -36.4 47.09 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 121.016 -1.052 . . . . 0.0 112.43 177.303 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 10.3 mt -53.47 -53.31 25.49 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.226 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 163.592 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.475 ' O ' ' HB2' ' A' ' 11' ' ' ALA . 47.3 mt-10 -62.64 -22.22 66.26 Favored 'General case' 0 CA--C 1.541 0.635 0 CA-C-O 117.228 -1.368 . . . . 0.0 114.128 178.471 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -71.46 -40.48 70.28 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-N 123.134 2.697 . . . . 0.0 113.52 168.77 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.411 ' OE2' ' HG3' ' A' ' 49' ' ' LYS . 11.7 mm-40 -83.14 -55.1 4.55 Favored 'General case' 0 N--CA 1.48 1.064 0 O-C-N 120.342 -1.474 . . . . 0.0 113.899 174.785 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.72 9.09 0.2 Allowed 'General case' 0 CA--C 1.557 1.237 0 N-CA-C 116.275 1.954 . . . . 0.0 116.275 164.036 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.475 ' HB2' ' O ' ' A' ' 7' ' ' GLU . . . -66.42 -41.79 88.7 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 118.475 -2.64 . . . . 0.0 112.916 147.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 47.1 mttp -80.64 57.44 2.94 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-O 122.451 1.119 . . . . 0.0 111.195 -168.496 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -65.92 -14.85 62.29 Favored 'General case' 0 CA--C 1.547 0.827 0 N-CA-C 114.705 1.372 . . . . 0.0 114.705 178.141 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.4 pttt -63.55 -34.19 77.25 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 159.083 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -101.51 72.53 1.41 Allowed 'General case' 0 CA--C 1.546 0.793 0 CA-C-O 124.966 2.317 . . . . 0.0 109.124 176.784 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.18 -43.46 74.36 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 109.278 -3.601 . . . . 0.0 114.352 -173.133 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 11.2 tpt -65.85 -32.57 74.16 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.604 0.761 . . . . 0.0 112.409 176.382 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 70.1 mt -83.13 -44.0 15.59 Favored 'General case' 0 CA--C 1.536 0.422 0 O-C-N 121.192 -0.942 . . . . 0.0 111.832 -175.204 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.66 -32.36 70.4 Favored 'General case' 0 CA--C 1.555 1.155 0 O-C-N 120.438 -1.414 . . . . 0.0 113.84 159.631 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -64.86 -31.94 73.4 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 123.835 3.016 . . . . 0.0 112.971 167.211 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 90.0 m -58.87 -38.44 78.81 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-N 121.511 1.96 . . . . 0.0 113.648 163.662 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . 0.267 0.1 OUTLIER -50.78 -49.62 57.9 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-N 118.839 0.745 . . . . 0.0 111.963 161.398 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.433 ' O ' ' HD1' ' A' ' 27' ' ' TYR 0.25 3.8 m-30 -73.83 -29.11 61.95 Favored 'General case' 0 CA--C 1.549 0.91 0 N-CA-C 113.822 1.045 . . . . 0.0 113.822 -176.584 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -58.79 -41.13 85.96 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.915 0.886 . . . . 0.0 113.136 162.132 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.94 -46.77 79.66 Favored Glycine 0 CA--C 1.534 1.246 0 CA-C-O 119.414 -0.659 . . . . 0.0 114.626 170.479 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.86 -34.16 72.76 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 114.067 1.136 . . . . 0.0 114.067 176.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.433 ' HD1' ' O ' ' A' ' 23' ' ' TYR . 42.3 m-85 -66.72 86.53 0.12 Allowed 'General case' 0 CA--C 1.549 0.909 0 CA-C-O 123.194 1.473 . . . . 0.0 112.296 163.562 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.0 tpm_? -56.19 125.05 20.03 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 113.723 -1.58 . . . . 0.0 113.272 169.036 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -86.58 -175.52 5.47 Favored 'General case' 0 CA--C 1.554 1.101 0 O-C-N 121.901 -0.499 . . . . 0.0 111.765 172.511 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -58.86 -82.2 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.97 0 N-CA-C 114.984 1.476 . . . . 0.0 114.984 -178.493 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -136.24 8.87 3.19 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 122.792 2.542 . . . . 0.0 114.544 177.666 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -72.0 146.11 47.9 Favored 'General case' 0 CA--C 1.552 1.021 0 O-C-N 120.68 -1.263 . . . . 0.0 112.32 174.595 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 73.6 p -81.86 158.31 24.06 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 113.842 1.053 . . . . 0.0 113.842 -178.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 73.5 m -60.43 -54.0 50.77 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.642 1.177 . . . . 0.0 114.134 -173.601 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.6 -21.95 63.54 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 -179.358 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -72.52 -54.67 8.56 Favored 'General case' 0 C--O 1.243 0.726 0 CA-C-N 119.864 1.211 . . . . 0.0 111.108 173.622 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.654 ' O ' HD12 ' A' ' 41' ' ' ILE . 29.2 ptt180 -64.82 -38.55 91.37 Favored 'General case' 0 C--N 1.347 0.486 0 CA-C-O 117.948 -1.025 . . . . 0.0 112.06 172.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . 0.261 . . -85.72 3.17 42.37 Favored 'General case' 0 CA--C 1.551 0.992 0 CA-C-N 122.359 2.345 . . . . 0.0 116.657 173.409 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -74.0 -31.73 63.08 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 119.153 -2.217 . . . . 0.0 112.656 148.051 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.452 ' HB3' ' O ' ' A' ' 37' ' ' ARG . 37.2 ttm180 -69.99 -45.09 68.07 Favored 'General case' 0 CA--C 1.556 1.184 0 O-C-N 121.284 -0.885 . . . . 0.0 112.854 166.62 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.654 HD12 ' O ' ' A' ' 37' ' ' ARG 0.273 3.3 mp -72.27 86.1 0.39 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.942 0 CA-C-O 126.759 3.171 . . . . 0.0 113.519 168.386 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 56.6 mttp -92.26 13.83 18.09 Favored 'General case' 0 CA--C 1.547 0.853 1 CA-C-N 107.975 -4.193 . . . . 0.0 116.252 -176.731 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 50.2 mm -65.25 -37.65 80.68 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.915 0 CA-C-N 119.758 1.163 . . . . 0.0 114.022 -170.355 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -179.39 161.97 28.4 Favored Glycine 0 CA--C 1.545 1.964 0 CA-C-O 117.9 -1.5 . . . . 0.0 115.656 173.208 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_exo -52.57 -48.79 20.05 Favored 'Trans proline' 0 C--N 1.361 1.212 0 C-N-CA 125.201 3.934 . . . . 0.0 115.721 175.766 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -64.89 -28.7 69.72 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 123.844 0.858 . . . . 0.0 113.267 174.13 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 41.8 t -68.26 -56.8 7.36 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.128 172.77 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -48.25 -43.5 12.04 Favored 'Isoleucine or valine' 0 C--N 1.352 0.69 0 CA-C-N 121.038 1.745 . . . . 0.0 114.57 169.362 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.411 ' HG3' ' OE2' ' A' ' 9' ' ' GLU . 24.9 tptp -58.7 -55.28 37.09 Favored 'General case' 0 CA--C 1.559 1.296 0 N-CA-C 114.946 1.461 . . . . 0.0 114.946 172.629 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.8 -46.23 74.47 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-N 120.639 1.563 . . . . 0.0 112.115 169.668 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.583 ' CE2' HD13 ' A' ' 41' ' ' ILE . 2.8 t80 -56.38 -58.39 8.21 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.802 1.241 . . . . 0.0 112.15 176.285 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.12 -42.73 91.26 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.453 1.101 . . . . 0.0 112.334 -178.651 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.488 ' O ' HD12 ' A' ' 57' ' ' ILE . 82.4 m-20 -61.31 -57.67 11.37 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 118.606 0.639 . . . . 0.0 112.553 175.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 12.5 m -61.38 -29.73 70.1 Favored 'General case' 0 CA--C 1.549 0.918 0 N-CA-C 115.359 1.615 . . . . 0.0 115.359 173.518 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 8.3 t -65.75 -38.61 89.57 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 121.118 1.781 . . . . 0.0 112.537 170.374 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 7.5 m-30 -59.63 -43.59 93.76 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-O 118.324 -0.846 . . . . 0.0 112.441 167.299 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.488 HD12 ' O ' ' A' ' 53' ' ' ASP . 2.1 mp -59.47 -47.51 90.52 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 CA-C-N 119.784 1.174 . . . . 0.0 113.946 168.785 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -51.64 -43.68 62.72 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 173.675 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 72.6 m-80 -72.0 -34.83 69.2 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 114.396 1.258 . . . . 0.0 114.396 171.578 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -60.18 -39.75 87.57 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 120.871 1.669 . . . . 0.0 113.316 166.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 99.2 t -62.33 -47.49 92.83 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.763 0 CA-C-N 119.436 1.017 . . . . 0.0 112.053 170.081 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 53.9 ttt180 -58.81 -40.09 83.07 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 113.732 1.012 . . . . 0.0 113.732 173.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -85.42 6.92 24.58 Favored 'General case' 0 CA--C 1.553 1.083 0 N-CA-C 115.339 1.607 . . . . 0.0 115.339 171.295 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 55.94 47.83 19.18 Favored 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 126.586 1.954 . . . . 0.0 115.06 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -128.95 -20.9 3.4 Favored 'General case' 0 CA--C 1.55 0.969 0 O-C-N 120.43 -1.419 . . . . 0.0 114.714 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . . . . . . . . 1 C--N 1.233 -4.496 0 CA-C-N 120.675 1.579 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.554 1.132 0 N-CA-C 115.37 1.618 . . . . 0.0 115.37 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.7 mp -77.35 99.7 5.65 Favored 'General case' 0 CA--C 1.548 0.888 0 CA-C-O 123.576 1.655 . . . . 0.0 112.104 179.055 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -55.78 -36.28 67.2 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 113.021 -1.9 . . . . 0.0 113.675 172.763 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -59.73 -39.44 84.7 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.487 1.115 . . . . 0.0 113.249 172.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 29.1 mmtt -73.17 -38.83 66.04 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-O 116.974 -1.488 . . . . 0.0 114.192 173.034 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 8.9 mt -62.09 -38.54 81.11 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 CA-C-N 121.813 2.097 . . . . 0.0 109.812 169.202 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -59.96 -67.55 0.37 Allowed 'General case' 0 CA--C 1.54 0.588 0 CA-C-O 116.686 -1.626 . . . . 0.0 111.301 169.26 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -66.19 -17.77 64.93 Favored 'General case' 0 CA--C 1.553 1.094 0 CA-C-N 124.658 3.39 . . . . 0.0 115.094 -173.16 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -85.8 -69.1 0.69 Allowed 'General case' 0 CA--C 1.545 0.758 0 O-C-N 119.796 -1.815 . . . . 0.0 111.75 164.353 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.87 1.37 12.84 Favored 'General case' 0 CA--C 1.554 1.112 0 N-CA-C 118.463 2.764 . . . . 0.0 118.463 -179.485 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -80.22 -50.19 10.59 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 117.911 -2.993 . . . . 0.0 111.708 155.228 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 69.2 tttt -88.48 70.47 8.98 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-O 124.059 1.885 . . . . 0.0 110.179 -171.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.4 m-30 -53.39 -3.66 0.03 OUTLIER 'General case' 0 CA--C 1.551 0.983 0 CA-C-N 112.096 -2.32 . . . . 0.0 117.187 178.053 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 58.9 tttp -60.06 -34.73 73.82 Favored 'General case' 0 CA--C 1.547 0.863 0 O-C-N 120.959 -1.088 . . . . 0.0 111.806 159.021 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 18.5 m-30 -80.91 59.87 3.92 Favored 'General case' 0 CA--C 1.549 0.907 0 O-C-N 120.594 -1.316 . . . . 0.0 111.191 174.08 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.55 -53.02 62.45 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 115.413 1.635 . . . . 0.0 115.413 -167.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 62.7 mtp -66.62 -27.72 67.92 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.454 0.909 . . . . 0.0 113.454 176.522 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 66.9 mt -86.59 -37.8 17.76 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.791 0.837 . . . . 0.0 112.521 -175.665 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.69 -32.08 71.65 Favored 'General case' 0 CA--C 1.545 0.755 0 O-C-N 120.963 -1.086 . . . . 0.0 111.993 163.511 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.2 ttpp -67.97 -26.13 65.78 Favored 'General case' 0 CA--C 1.555 1.166 0 O-C-N 119.844 -1.785 . . . . 0.0 111.892 169.473 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 11.3 t -66.81 -39.23 87.63 Favored 'General case' 0 CA--C 1.554 1.101 0 O-C-N 120.606 -1.309 . . . . 0.0 113.647 163.756 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -47.91 -50.63 26.21 Favored 'General case' 0 N--CA 1.483 1.213 0 CA-C-N 119.376 0.989 . . . . 0.0 111.419 160.794 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.297 4.3 m-30 -75.23 -22.79 57.66 Favored 'General case' 0 CA--C 1.554 1.132 0 N-CA-C 114.137 1.162 . . . . 0.0 114.137 -176.81 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -57.96 -42.1 84.27 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-N 120.067 1.303 . . . . 0.0 113.354 156.686 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.77 -49.37 79.31 Favored Glycine 0 CA--C 1.532 1.132 0 CA-C-O 119.226 -0.764 . . . . 0.0 114.252 169.532 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.22 -38.93 74.5 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 176.291 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -71.8 80.38 0.87 Allowed 'General case' 0 CA--C 1.55 0.977 0 CA-C-O 122.53 1.157 . . . . 0.0 112.042 164.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.7 tpt180 -63.31 119.29 9.37 Favored 'General case' 0 CA--C 1.55 0.958 0 N-CA-C 115.443 1.645 . . . . 0.0 115.443 174.318 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 34.7 m120 -81.06 118.63 22.67 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-O 121.627 0.727 . . . . 0.0 112.017 164.375 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -68.7 52.98 0.08 Allowed 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 126.014 1.725 . . . . 0.0 115.624 179.481 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -145.45 -75.13 0.22 Allowed 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 114.369 1.248 . . . . 0.0 114.369 -177.846 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -73.0 -178.74 2.92 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 115.772 1.767 . . . . 0.0 115.772 177.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 12.9 t -97.64 159.11 15.13 Favored 'General case' 0 CA--C 1.546 0.798 0 O-C-N 120.474 -1.392 . . . . 0.0 111.849 158.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 98.9 m -57.33 -50.87 71.57 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 115.268 1.581 . . . . 0.0 115.268 -167.187 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.98 -16.11 60.64 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 113.997 1.11 . . . . 0.0 113.997 -179.772 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -78.72 -50.42 11.41 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.741 1.216 . . . . 0.0 110.949 168.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.55 ' O ' HD12 ' A' ' 41' ' ' ILE . 12.4 ttp180 -54.32 -47.61 72.28 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 115.047 -0.978 . . . . 0.0 110.862 170.394 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -87.65 2.18 51.7 Favored 'General case' 0 CA--C 1.55 0.95 0 N-CA-C 117.638 2.458 . . . . 0.0 117.638 173.091 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.98 -30.87 70.24 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 118.789 -2.444 . . . . 0.0 112.091 150.377 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 37.2 ttp-105 -75.38 -44.1 46.74 Favored 'General case' 0 CA--C 1.553 1.069 0 N-CA-C 114.041 1.126 . . . . 0.0 114.041 166.482 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.551 HD13 ' CE2' ' A' ' 51' ' ' PHE 0.306 3.4 mp -66.87 85.78 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.551 0.995 0 CA-C-O 127.422 3.487 . . . . 0.0 113.393 165.825 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.9 tppt? -85.26 -4.79 59.28 Favored 'General case' 0 CA--C 1.547 0.849 1 CA-C-N 106.761 -4.745 . . . . 0.0 115.77 -168.725 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 72.3 mt -59.61 -39.28 79.08 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.884 0 N-CA-C 114.839 1.422 . . . . 0.0 114.839 -162.426 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -176.26 165.31 35.68 Favored Glycine 0 CA--C 1.544 1.846 0 CA-C-N 120.057 1.298 . . . . 0.0 116.02 174.127 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -60.83 -45.2 21.5 Favored 'Trans proline' 0 C--N 1.36 1.156 0 C-N-CA 124.35 3.366 . . . . 0.0 115.12 -179.642 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.1 mttm -59.95 -32.24 70.62 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.266 1.026 . . . . 0.0 113.568 170.015 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 26.1 t -68.52 -59.86 2.85 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-O 116.986 -1.483 . . . . 0.0 110.074 174.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -47.05 -46.37 8.59 Favored 'Isoleucine or valine' 0 C--N 1.353 0.75 0 CA-C-N 121.417 1.917 . . . . 0.0 115.058 171.83 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -60.56 -53.62 55.25 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 114.055 1.131 . . . . 0.0 114.055 174.157 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.06 -51.23 55.33 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 119.579 1.081 . . . . 0.0 111.134 171.689 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.551 ' CE2' HD13 ' A' ' 41' ' ' ILE . 2.9 t80 -55.26 -60.36 3.51 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.004 1.322 . . . . 0.0 111.983 178.203 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 57.7 tttp -59.83 -39.66 85.85 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 118.934 0.788 . . . . 0.0 113.06 -177.545 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -70.75 -48.78 52.63 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 119.311 0.96 . . . . 0.0 113.578 179.309 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.6 m -58.8 -38.82 79.43 Favored 'General case' 0 CA--C 1.55 0.952 0 N-CA-C 114.144 1.165 . . . . 0.0 114.144 168.53 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 13.5 t -63.84 -40.48 96.69 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 119.949 1.25 . . . . 0.0 113.487 175.251 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -62.49 -42.37 99.45 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 118.084 -0.96 . . . . 0.0 112.488 169.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 19.2 mm -59.94 -42.61 89.99 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 CA-C-N 120.251 1.387 . . . . 0.0 113.133 170.263 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.61 -50.22 66.13 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 123.807 0.843 . . . . 0.0 113.183 170.501 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -63.39 -40.95 98.62 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 113.815 1.043 . . . . 0.0 113.815 173.063 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.72 -43.85 95.33 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-O 117.668 -1.158 . . . . 0.0 113.844 170.709 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 62.5 t -61.35 -36.95 76.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 CA-C-N 121.405 1.911 . . . . 0.0 113.083 173.14 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 20.1 mmt85 -61.06 -37.8 83.94 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 119.795 1.179 . . . . 0.0 113.851 169.328 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.59 -48.64 18.57 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 113.664 0.987 . . . . 0.0 113.664 172.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -75.91 62.05 1.55 Allowed 'General case' 0 CA--C 1.552 1.033 0 CA-C-O 122.948 1.356 . . . . 0.0 113.829 -177.578 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -106.96 -52.31 2.78 Favored 'General case' 0 CA--C 1.545 0.769 0 O-C-N 121.043 -1.036 . . . . 0.0 113.379 175.319 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . . . . . . . . 1 C--N 1.233 -4.47 0 CA-C-N 119.844 1.202 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.4 mtp . . . . . 0 CA--C 1.546 0.808 0 N-CA-C 113.583 0.957 . . . . 0.0 113.583 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.5 mp -88.11 102.12 14.47 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-O 124.329 2.014 . . . . 0.0 111.878 -177.728 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -54.49 -49.31 70.44 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 111.293 -2.685 . . . . 0.0 112.324 176.069 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 20.8 mttm -65.74 -11.1 42.8 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 115.924 1.824 . . . . 0.0 115.924 173.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.5 mmpm? -85.57 -45.56 11.64 Favored 'General case' 0 C--O 1.235 0.34 0 O-C-N 119.404 -2.06 . . . . 0.0 112.753 168.753 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . 0.366 1.0 OUTLIER -66.57 -38.99 82.81 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 CA-C-N 121.799 2.091 . . . . 0.0 112.565 166.569 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -62.85 -64.71 0.84 Allowed 'General case' 0 C--N 1.348 0.501 0 CA-C-O 115.817 -2.04 . . . . 0.0 111.268 173.738 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -71.44 -23.5 61.86 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 124.967 3.531 . . . . 0.0 115.716 -174.578 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -84.09 -55.56 4.14 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 122.332 2.333 . . . . 0.0 112.518 171.269 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.86 -3.87 43.78 Favored 'General case' 0 CA--C 1.553 1.078 0 N-CA-C 117.814 2.524 . . . . 0.0 117.814 174.247 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.59 -57.85 3.27 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 124.75 3.432 . . . . 0.0 112.271 155.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 41.7 mtmt -79.78 73.68 6.51 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-O 123.982 1.849 . . . . 0.0 111.907 -178.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.2 m-30 -50.1 -12.42 0.08 Allowed 'General case' 0 CA--C 1.551 1.012 0 CA-C-N 111.91 -2.404 . . . . 0.0 116.124 170.538 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -61.1 -28.03 68.8 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.763 1.225 . . . . 0.0 113.389 162.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 10.6 m-30 -81.39 60.27 4.37 Favored 'General case' 0 CA--C 1.552 1.029 0 O-C-N 120.154 -1.591 . . . . 0.0 109.917 171.143 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.17 -54.35 44.36 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 117.139 2.274 . . . . 0.0 117.139 -158.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 11.2 tpt -68.82 -31.95 71.3 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.269 1.028 . . . . 0.0 112.77 177.456 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 70.8 mt -79.51 -38.45 34.34 Favored 'General case' 0 CA--C 1.536 0.437 0 O-C-N 121.464 -0.773 . . . . 0.0 112.128 -177.393 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.09 -37.58 87.79 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 112.462 0.542 . . . . 0.0 112.462 162.334 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.5 tmtm? -67.66 -32.3 72.88 Favored 'General case' 0 CA--C 1.552 1.03 0 O-C-N 119.362 -2.086 . . . . 0.0 111.266 172.293 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 9.2 t -62.0 -39.77 93.36 Favored 'General case' 0 CA--C 1.554 1.112 0 CA-C-N 120.18 1.354 . . . . 0.0 113.962 167.238 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.8 t -45.46 -56.42 5.06 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.071 0.948 . . . . 0.0 110.971 159.743 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.403 ' HA ' ' HB3' ' A' ' 26' ' ' ALA 0.301 7.8 m-30 -72.61 -22.82 60.9 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 114.209 1.188 . . . . 0.0 114.209 -174.755 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -58.25 -40.31 81.43 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 159.144 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.91 -44.27 94.84 Favored Glycine 0 CA--C 1.534 1.278 0 N-CA-C 114.796 0.678 . . . . 0.0 114.796 166.355 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.403 ' HB3' ' HA ' ' A' ' 23' ' ' TYR . . . -63.4 -23.6 67.48 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 114.878 1.436 . . . . 0.0 114.878 177.461 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -62.23 84.8 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.064 0 CA-C-N 121.164 1.802 . . . . 0.0 110.768 161.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.1 tpm_? -62.36 108.38 1.09 Allowed 'General case' 0 CA--C 1.548 0.897 0 CA-C-O 122.55 1.167 . . . . 0.0 113.532 172.148 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -69.81 154.43 41.98 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-N 114.935 -1.029 . . . . 0.0 112.234 170.31 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -53.42 -50.93 64.17 Favored 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 115.737 1.755 . . . . 0.0 115.737 174.761 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -134.83 -21.09 1.71 Allowed 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 115.892 1.812 . . . . 0.0 115.892 -170.034 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -70.25 159.05 34.74 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 121.369 1.895 . . . . 0.0 114.868 179.475 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.8 t -107.55 160.54 15.6 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-O 122.513 1.149 . . . . 0.0 113.562 175.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 83.2 m -61.39 -54.95 37.02 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.434 1.493 . . . . 0.0 114.575 -164.257 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -73.72 -16.41 61.19 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 113.478 0.918 . . . . 0.0 113.478 -179.394 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -73.05 -50.78 21.02 Favored 'General case' 0 CA--C 1.548 0.874 0 O-C-N 120.389 -1.444 . . . . 0.0 111.044 168.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.592 ' O ' HD12 ' A' ' 41' ' ' ILE . 58.9 mtm180 -55.9 -51.18 68.49 Favored 'General case' 0 C--N 1.346 0.443 0 CA-C-N 114.943 -1.026 . . . . 0.0 111.528 168.759 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . 0.27 . . -90.02 11.71 19.81 Favored 'General case' 0 CA--C 1.551 0.993 0 N-CA-C 116.714 2.116 . . . . 0.0 116.714 178.563 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -72.62 -38.38 67.77 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 119.487 -2.008 . . . . 0.0 111.941 143.309 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 84.5 mtm180 -70.05 -45.8 66.35 Favored 'General case' 0 CA--C 1.554 1.103 0 N-CA-C 114.237 1.199 . . . . 0.0 114.237 168.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.592 HD12 ' O ' ' A' ' 37' ' ' ARG . 3.6 mp -72.68 89.08 0.46 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.892 0 CA-C-O 126.641 3.115 . . . . 0.0 113.134 168.026 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 34.2 mtmm -88.58 -7.23 56.78 Favored 'General case' 0 CA--C 1.543 0.697 1 CA-C-N 107.571 -4.377 . . . . 0.0 116.51 -174.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 47.0 mm -59.55 -38.9 77.7 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.903 0 N-CA-C 115.733 1.753 . . . . 0.0 115.733 -156.075 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -168.64 159.15 32.18 Favored Glycine 0 CA--C 1.545 1.936 0 CA-C-O 117.495 -1.725 . . . . 0.0 115.468 176.281 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_exo -52.55 -53.79 6.27 Favored 'Trans proline' 0 C--N 1.361 1.233 0 C-N-CA 125.183 3.922 . . . . 0.0 116.019 177.773 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 44.5 mttt -63.64 -27.56 69.32 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 172.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 34.8 t -65.15 -59.56 3.97 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-O 117.213 -1.375 . . . . 0.0 109.433 173.155 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -48.82 -45.41 15.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 CA-C-N 120.763 1.619 . . . . 0.0 115.027 171.039 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -62.29 -52.71 62.61 Favored 'General case' 0 CA--C 1.549 0.918 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 174.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.42 -46.46 69.79 Favored 'General case' 0 CA--C 1.548 0.893 0 CA-C-N 120.033 1.288 . . . . 0.0 110.815 171.077 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.581 ' CE2' HD13 ' A' ' 41' ' ' ILE . 3.9 t80 -55.1 -58.97 5.48 Favored 'General case' 0 C--N 1.35 0.6 0 C-N-CA 125.028 1.331 . . . . 0.0 112.386 175.504 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.403 ' O ' ' HD1' ' A' ' 56' ' ' TYR . 79.7 mttt -61.56 -38.98 89.46 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 119.264 0.938 . . . . 0.0 113.215 -178.256 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -72.8 -42.8 63.49 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 114.349 1.241 . . . . 0.0 114.349 178.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.4 m -60.02 -37.58 80.16 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 165.346 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 5.6 t -63.46 -38.01 89.5 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 119.681 1.128 . . . . 0.0 112.695 172.644 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.403 ' HD1' ' O ' ' A' ' 52' ' ' LYS . 18.5 m-85 -58.67 -45.28 89.77 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 119.771 1.169 . . . . 0.0 113.569 165.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 21.7 mm -59.92 -44.65 94.89 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 CA-C-N 119.569 1.077 . . . . 0.0 112.84 172.655 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.05 -45.64 75.28 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.393 1.077 . . . . 0.0 113.836 172.534 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -67.45 -34.24 76.77 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 114.145 1.165 . . . . 0.0 114.145 172.502 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -62.72 -46.11 89.61 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 119.818 1.19 . . . . 0.0 112.318 167.753 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 94.1 t -58.48 -42.28 83.97 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.842 0 CA-C-N 119.713 1.142 . . . . 0.0 112.55 172.648 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 43.7 ttt180 -59.29 -40.13 85.18 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 113.612 0.968 . . . . 0.0 113.612 171.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.27 -42.57 62.32 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 172.309 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -75.05 -49.07 20.95 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 114.623 1.342 . . . . 0.0 114.623 178.731 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . 0.252 58.8 mt-30 55.05 65.0 1.61 Allowed 'General case' 0 CA--C 1.553 1.085 0 N-CA-C 116.226 1.935 . . . . 0.0 116.226 -175.427 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . . . . . . . . 1 C--N 1.232 -4.513 0 O-C-N 121.45 -0.781 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.2 ptm . . . . . 0 CA--C 1.545 0.787 0 N-CA-C 114.113 1.153 . . . . 0.0 114.113 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 94.5 mt -100.38 92.02 4.98 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-O 124.701 2.191 . . . . 0.0 111.814 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 -56.51 -36.95 69.76 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-N 111.226 -2.715 . . . . 0.0 112.292 171.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -60.28 -36.81 78.68 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.011 1.325 . . . . 0.0 113.393 170.168 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 30.9 mmtt -74.41 -34.43 63.26 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 120.989 1.722 . . . . 0.0 114.544 174.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.5 mt -60.55 -45.06 97.73 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.34 0 CA-C-N 121.754 2.07 . . . . 0.0 109.273 166.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -58.69 -60.38 3.91 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-O 116.955 -1.498 . . . . 0.0 111.82 173.702 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -66.76 -20.86 66.04 Favored 'General case' 0 CA--C 1.55 0.955 0 CA-C-N 123.803 3.002 . . . . 0.0 114.576 -176.263 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -85.84 -62.88 1.42 Allowed 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 121.795 2.089 . . . . 0.0 112.195 166.733 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.0 1.27 11.28 Favored 'General case' 0 CA--C 1.556 1.198 0 N-CA-C 117.936 2.569 . . . . 0.0 117.936 177.479 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.45 -50.62 12.3 Favored 'General case' 0 N--CA 1.474 0.729 0 O-C-N 117.517 -3.24 . . . . 0.0 111.781 154.466 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -80.19 70.46 6.82 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-O 122.847 1.308 . . . . 0.0 111.514 -177.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -55.09 -9.66 0.42 Allowed 'General case' 0 CA--C 1.552 1.029 0 N-CA-C 115.814 1.783 . . . . 0.0 115.814 172.486 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -61.51 -31.64 71.64 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.759 1.224 . . . . 0.0 113.274 160.459 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 14.3 m-30 -82.55 61.42 5.68 Favored 'General case' 0 CA--C 1.549 0.922 0 O-C-N 120.162 -1.586 . . . . 0.0 109.729 172.18 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.25 -52.09 62.47 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 115.7 1.741 . . . . 0.0 115.7 -164.206 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 34.4 ttm -67.98 -30.07 69.26 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.495 1.118 . . . . 0.0 112.813 177.217 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 66.0 mt -84.42 -39.39 19.05 Favored 'General case' 0 CA--C 1.536 0.406 0 O-C-N 121.381 -0.824 . . . . 0.0 112.356 -174.545 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.1 pptp? -67.26 -31.6 72.06 Favored 'General case' 0 CA--C 1.547 0.834 0 O-C-N 121.177 -0.952 . . . . 0.0 112.124 163.077 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.3 ttpp -68.2 -27.34 66.31 Favored 'General case' 0 CA--C 1.556 1.18 0 O-C-N 119.513 -1.992 . . . . 0.0 112.188 169.222 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 11.6 t -66.26 -39.39 89.44 Favored 'General case' 0 CA--C 1.553 1.071 0 O-C-N 120.44 -1.413 . . . . 0.0 113.593 165.43 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -47.77 -52.59 18.18 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.672 0.789 . . . . 0.0 110.932 160.472 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.311 5.0 m-30 -74.85 -18.33 60.46 Favored 'General case' 0 CA--C 1.555 1.143 0 N-CA-C 114.392 1.256 . . . . 0.0 114.392 -176.074 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -60.54 -44.56 95.96 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 120.401 1.455 . . . . 0.0 113.667 155.583 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.02 -42.25 98.31 Favored Glycine 0 CA--C 1.534 1.275 0 CA-C-O 119.51 -0.606 . . . . 0.0 114.288 170.4 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.87 -42.53 97.49 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 113.678 0.992 . . . . 0.0 113.678 172.647 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -70.91 69.47 0.46 Allowed 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 123.579 1.657 . . . . 0.0 113.855 170.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 29.8 ttt85 -89.07 84.29 6.57 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-O 123.502 1.62 . . . . 0.0 111.339 172.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 30.3 m120 -103.63 -23.42 13.47 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 113.781 -1.554 . . . . 0.0 115.186 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -76.97 -99.73 0.02 OUTLIER 'General case' 0 CA--C 1.557 1.212 0 N-CA-C 116.231 1.937 . . . . 0.0 116.231 -178.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -176.18 -34.61 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 125.652 1.581 . . . . 0.0 113.28 -166.678 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -67.29 163.06 21.37 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 115.889 1.811 . . . . 0.0 115.889 -169.324 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.0 t -82.98 153.56 24.93 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 120.46 -1.4 . . . . 0.0 112.425 176.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 72.9 m -59.3 -49.51 77.56 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 114.436 1.273 . . . . 0.0 114.436 -162.206 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -71.78 -22.53 61.57 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 113.697 0.999 . . . . 0.0 113.697 177.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -72.17 -52.49 16.35 Favored 'General case' 0 CA--C 1.548 0.874 0 O-C-N 119.731 -1.856 . . . . 0.0 111.177 171.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.553 ' O ' HD12 ' A' ' 41' ' ' ILE . 26.4 ttt-85 -53.32 -51.88 60.96 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 112.607 -2.088 . . . . 0.0 110.422 172.214 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -88.57 6.31 38.7 Favored 'General case' 0 CA--C 1.55 0.961 0 N-CA-C 117.332 2.345 . . . . 0.0 117.332 175.662 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.51 -35.73 75.79 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 118.944 -2.347 . . . . 0.0 111.786 148.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 88.2 mtm-85 -70.69 -41.72 71.64 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 113.668 0.988 . . . . 0.0 113.668 167.027 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.568 HD13 ' CE2' ' A' ' 51' ' ' PHE 0.253 3.4 mp -76.81 78.91 0.66 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.918 0 CA-C-O 127.378 3.466 . . . . 0.0 113.016 166.214 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -95.92 14.93 21.88 Favored 'General case' 0 CA--C 1.547 0.847 1 CA-C-N 107.346 -4.479 . . . . 0.0 115.381 -172.284 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 70.6 mt -66.57 -40.82 87.24 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.858 0 N-CA-C 113.641 0.978 . . . . 0.0 113.641 -168.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -169.9 159.89 32.68 Favored Glycine 0 CA--C 1.546 1.994 0 CA-C-O 117.793 -1.559 . . . . 0.0 115.894 175.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_exo -52.23 -48.62 20.8 Favored 'Trans proline' 0 C--N 1.362 1.243 0 C-N-CA 125.224 3.949 . . . . 0.0 115.851 175.417 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 22.3 mttm -62.19 -30.65 71.22 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 113.944 1.09 . . . . 0.0 113.944 172.052 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 24.7 t -68.79 -59.93 2.74 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-O 116.987 -1.482 . . . . 0.0 109.73 174.153 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -47.76 -43.98 10.35 Favored 'Isoleucine or valine' 0 C--N 1.354 0.769 0 CA-C-N 121.444 1.929 . . . . 0.0 114.996 171.278 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.27 -54.27 47.75 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 115.544 1.683 . . . . 0.0 115.544 172.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.81 -49.65 62.33 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.25 1.02 . . . . 0.0 110.786 170.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.568 ' CE2' HD13 ' A' ' 41' ' ' ILE . 4.1 t80 -55.45 -59.48 4.76 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.941 1.296 . . . . 0.0 112.358 177.361 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 56.6 mtmt -62.12 -35.86 80.0 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 114.317 1.228 . . . . 0.0 114.317 -178.02 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -76.44 -39.44 53.4 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 119.913 1.233 . . . . 0.0 113.877 177.434 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 5.3 m -63.01 -33.77 76.13 Favored 'General case' 0 CA--C 1.551 1.018 0 O-C-N 120.722 -1.236 . . . . 0.0 114.187 163.761 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 6.2 t -63.82 -37.64 88.13 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 120.758 1.617 . . . . 0.0 112.814 171.226 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -57.7 -45.93 85.01 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 123.985 0.914 . . . . 0.0 112.947 165.408 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 30.6 mm -58.2 -48.81 83.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 CA-C-N 120.141 1.337 . . . . 0.0 113.96 168.059 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.64 -45.7 77.57 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 176.496 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -66.24 -35.22 79.84 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 114.061 1.134 . . . . 0.0 114.061 171.646 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.437 ' O ' ' HG2' ' A' ' 64' ' ' GLU . 19.2 tt0 -61.58 -44.8 96.35 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 119.862 1.21 . . . . 0.0 111.949 168.767 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 85.2 t -61.43 -43.39 96.68 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.746 0 C-N-CA 123.959 0.904 . . . . 0.0 112.746 171.662 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 32.2 mmt180 -63.93 -29.75 70.89 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 120.207 1.367 . . . . 0.0 114.503 170.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.18 -55.06 10.32 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 120.057 1.299 . . . . 0.0 113.214 166.686 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 60' ' ' GLN . 15.5 pt-20 -83.18 52.02 2.1 Favored 'General case' 0 CA--C 1.555 1.171 0 CA-C-N 121.18 1.809 . . . . 0.0 113.382 178.776 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -112.7 -55.89 2.47 Favored 'General case' 0 CA--C 1.545 0.786 0 O-C-N 120.583 -1.323 . . . . 0.0 113.09 -175.042 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . . . . . . . . 1 C--N 1.234 -4.442 0 CA-C-N 119.824 1.193 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.3 mmm . . . . . 0 CA--C 1.546 0.793 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 20.7 tp -138.52 126.69 22.79 Favored 'General case' 0 CA--C 1.551 1.017 0 CA-C-O 123.683 1.706 . . . . 0.0 113.605 -174.154 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 38.9 tt0 -59.28 -46.58 88.15 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 112.611 -2.086 . . . . 0.0 113.659 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -56.05 -37.85 69.81 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.632 1.173 . . . . 0.0 112.958 174.586 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.446 ' O ' ' HG2' ' A' ' 9' ' ' GLU . 2.0 mtpp -75.46 -32.1 60.51 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-O 115.807 -2.044 . . . . 0.0 115.396 174.135 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.7 mt -56.57 -48.17 80.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 CA-C-N 123.433 2.833 . . . . 0.0 108.841 164.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.01 -53.51 56.95 Favored 'General case' 0 C--O 1.219 -0.518 0 CA-C-O 115.592 -2.147 . . . . 0.0 113.037 175.024 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -62.08 -20.62 64.2 Favored 'General case' 0 N--CA 1.477 0.914 1 CA-C-N 126.023 4.01 . . . . 0.0 114.885 178.659 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.446 ' HG2' ' O ' ' A' ' 5' ' ' LYS . 18.6 mm-40 -84.49 -65.06 1.05 Allowed 'General case' 0 CA--C 1.545 0.756 0 O-C-N 120.784 -1.197 . . . . 0.0 111.848 167.515 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.15 3.52 10.46 Favored 'General case' 0 CA--C 1.556 1.197 0 N-CA-C 119.134 3.012 . . . . 0.0 119.134 177.357 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.46 -51.64 8.08 Favored 'General case' 0 N--CA 1.472 0.635 0 O-C-N 117.153 -3.467 . . . . 0.0 111.892 157.161 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.4 mtpt -84.27 70.1 10.54 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-O 123.568 1.651 . . . . 0.0 111.293 -173.745 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -56.55 0.35 0.03 OUTLIER 'General case' 0 CA--C 1.555 1.14 0 N-CA-C 116.474 2.027 . . . . 0.0 116.474 174.727 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -58.83 -51.43 70.03 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.549 1.54 . . . . 0.0 112.434 167.455 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . 0.259 0.6 OUTLIER -87.73 69.5 9.6 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-O 125.395 2.521 . . . . 0.0 111.681 170.285 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.42 -34.21 66.56 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 109.667 -3.424 . . . . 0.0 115.012 -177.719 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 58.2 ttp -63.32 -39.57 94.93 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.652 1.181 . . . . 0.0 113.092 173.185 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 79.4 mt -81.77 -38.55 25.46 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 121.568 -0.708 . . . . 0.0 112.259 -177.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.8 tmtt? -62.99 -34.03 76.67 Favored 'General case' 0 CA--C 1.552 1.052 0 O-C-N 121.445 -0.784 . . . . 0.0 112.999 163.289 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.6 tttm -61.76 -39.99 93.55 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 121.806 2.093 . . . . 0.0 111.168 166.409 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 96.3 m -53.3 -42.7 66.91 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 122.405 2.366 . . . . 0.0 113.914 168.521 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -48.65 -56.83 7.38 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.402 0.681 . . . . 0.0 111.35 163.689 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.265 7.8 m-30 -74.59 -21.23 59.59 Favored 'General case' 0 CA--C 1.553 1.074 0 N-CA-C 114.716 1.376 . . . . 0.0 114.716 -173.64 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -61.12 -40.11 92.54 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.485 1.114 . . . . 0.0 112.972 159.344 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.13 -54.75 35.37 Favored Glycine 0 CA--C 1.533 1.19 0 CA-C-O 119.197 -0.779 . . . . 0.0 113.975 166.216 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.94 -46.45 89.36 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 115.009 1.485 . . . . 0.0 115.009 -179.342 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -76.28 63.44 1.92 Allowed 'General case' 0 CA--C 1.55 0.946 0 CA-C-N 120.485 1.493 . . . . 0.0 113.267 176.674 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 73.4 ttt180 -77.15 78.19 3.69 Favored 'General case' 0 CA--C 1.548 0.886 0 CA-C-O 123.911 1.815 . . . . 0.0 112.448 179.311 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -89.33 -21.17 23.26 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 113.551 -1.659 . . . . 0.0 112.103 169.633 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -69.62 12.14 0.21 Allowed 'General case' 0 CA--C 1.551 0.989 0 N-CA-C 116.948 2.203 . . . . 0.0 116.948 -169.53 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . 0.309 3.3 p30 47.53 -35.07 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.179 0 N-CA-C 119.752 3.242 . . . . 0.0 119.752 -172.49 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -64.22 179.05 0.61 Allowed 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 126.85 2.06 . . . . 0.0 116.242 179.638 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 13.7 t -88.95 155.56 19.43 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 120.691 -1.256 . . . . 0.0 113.687 175.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 71.3 m -57.38 -53.01 62.98 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.672 1.589 . . . . 0.0 114.965 -167.232 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -73.54 -21.39 60.39 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 114.59 1.329 . . . . 0.0 114.59 -173.506 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -80.02 -47.8 14.34 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 121.64 2.018 . . . . 0.0 110.592 173.068 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.621 ' O ' HD12 ' A' ' 41' ' ' ILE . 15.9 ptt180 -63.22 -37.3 86.69 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-O 118.612 -0.709 . . . . 0.0 111.848 173.122 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -85.86 -3.33 58.89 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 116.8 2.148 . . . . 0.0 116.8 170.055 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -68.16 -25.66 65.38 Favored 'General case' 0 CA--C 1.543 0.685 0 O-C-N 119.236 -2.165 . . . . 0.0 112.306 150.344 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 42.2 mtt180 -73.62 -57.43 4.0 Favored 'General case' 0 CA--C 1.553 1.091 0 CA-C-O 117.414 -1.279 . . . . 0.0 112.471 164.669 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.621 HD12 ' O ' ' A' ' 37' ' ' ARG 0.317 3.2 mp -54.72 93.79 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.552 1.02 0 CA-C-O 127.178 3.37 . . . . 0.0 114.596 174.009 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.23 -8.37 53.63 Favored 'General case' 0 CA--C 1.544 0.732 1 CA-C-N 106.86 -4.7 . . . . 0.0 117.382 -166.636 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 2.2 mp -59.51 -37.03 68.05 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.968 0 N-CA-C 115.09 1.515 . . . . 0.0 115.09 -164.162 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 175.92 166.01 32.69 Favored Glycine 0 CA--C 1.545 1.94 0 CA-C-N 120.341 1.428 . . . . 0.0 116.184 171.425 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_exo -52.24 -46.2 34.31 Favored 'Trans proline' 0 C--N 1.361 1.206 0 C-N-CA 125.22 3.947 . . . . 0.0 115.897 175.35 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 48.4 tttm -68.42 -28.46 67.1 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 124.341 1.056 . . . . 0.0 112.352 177.001 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 30.1 t -67.33 -57.62 6.31 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 117.36 -1.305 . . . . 0.0 111.626 170.549 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -49.91 -39.72 15.62 Favored 'Isoleucine or valine' 0 C--N 1.352 0.71 0 CA-C-N 120.628 1.558 . . . . 0.0 114.536 170.19 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 26.5 tptp -63.63 -51.75 63.81 Favored 'General case' 0 CA--C 1.553 1.081 0 N-CA-C 114.614 1.339 . . . . 0.0 114.614 173.422 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.66 -49.45 62.29 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 119.963 1.256 . . . . 0.0 111.002 168.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.568 ' CE2' HD13 ' A' ' 41' ' ' ILE . 3.7 t80 -54.55 -56.68 16.37 Favored 'General case' 0 C--N 1.349 0.571 0 C-N-CA 125.226 1.41 . . . . 0.0 112.01 176.459 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 17.5 mmtt -60.47 -40.13 90.12 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 114.425 1.268 . . . . 0.0 114.425 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -65.52 -50.1 66.48 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 120.023 1.283 . . . . 0.0 113.958 175.671 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 5.9 m -62.63 -30.88 71.69 Favored 'General case' 0 CA--C 1.55 0.958 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 169.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.8 t -69.34 -33.91 73.82 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 120.516 1.507 . . . . 0.0 113.446 171.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -59.53 -42.35 92.11 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 120.577 -1.327 . . . . 0.0 112.771 164.207 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 26.0 mm -59.62 -44.44 93.39 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 N-CA-C 113.623 0.971 . . . . 0.0 113.623 168.239 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.54 -40.11 78.1 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 113.783 1.031 . . . . 0.0 113.783 172.272 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 50.0 m-80 -60.7 -43.73 97.41 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 119.994 1.27 . . . . 0.0 113.519 168.641 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -62.46 -41.14 98.56 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 113.221 0.822 . . . . 0.0 113.221 172.506 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 95.7 t -63.76 -45.77 96.33 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.738 0 CA-C-N 118.783 0.719 . . . . 0.0 112.437 169.587 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -66.29 -23.39 66.38 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 120.939 1.7 . . . . 0.0 115.564 174.638 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.79 -28.28 69.47 Favored 'General case' 0 CA--C 1.548 0.886 0 CA-C-N 119.807 1.185 . . . . 0.0 113.706 162.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -89.03 -48.64 7.28 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.049 0.939 . . . . 0.0 112.082 173.214 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -153.74 126.6 8.29 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 114.198 1.185 . . . . 0.0 114.198 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . . . . . . . . 1 C--N 1.228 -4.692 0 O-C-N 121.114 -0.991 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.4 mtp . . . . . 0 CA--C 1.546 0.808 0 N-CA-C 113.583 0.957 . . . . 0.0 113.583 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.5 mp -88.11 102.12 14.47 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-O 124.329 2.014 . . . . 0.0 111.878 -177.728 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -54.49 -49.31 70.44 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 111.293 -2.685 . . . . 0.0 112.324 176.069 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 20.8 mttm -65.74 -11.1 42.8 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 115.924 1.824 . . . . 0.0 115.924 173.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.5 mmpm? -85.57 -45.56 11.64 Favored 'General case' 0 C--O 1.235 0.34 0 O-C-N 119.404 -2.06 . . . . 0.0 112.753 168.753 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . 0.366 1.0 OUTLIER -66.57 -38.99 82.81 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 CA-C-N 121.799 2.091 . . . . 0.0 112.565 166.569 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -62.85 -64.71 0.84 Allowed 'General case' 0 C--N 1.348 0.501 0 CA-C-O 115.817 -2.04 . . . . 0.0 111.268 173.738 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -71.44 -23.5 61.86 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 124.967 3.531 . . . . 0.0 115.716 -174.578 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -84.09 -55.56 4.14 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 122.332 2.333 . . . . 0.0 112.518 171.269 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.86 -3.87 43.78 Favored 'General case' 0 CA--C 1.553 1.078 0 N-CA-C 117.814 2.524 . . . . 0.0 117.814 174.247 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.59 -57.85 3.27 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 124.75 3.432 . . . . 0.0 112.271 155.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 41.7 mtmt -79.78 73.68 6.51 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-O 123.982 1.849 . . . . 0.0 111.907 -178.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.2 m-30 -50.1 -12.42 0.08 Allowed 'General case' 0 CA--C 1.551 1.012 0 CA-C-N 111.91 -2.404 . . . . 0.0 116.124 170.538 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -61.1 -28.03 68.8 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.763 1.225 . . . . 0.0 113.389 162.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 10.6 m-30 -81.39 60.27 4.37 Favored 'General case' 0 CA--C 1.552 1.029 0 O-C-N 120.154 -1.591 . . . . 0.0 109.917 171.143 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.17 -54.35 44.36 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 117.139 2.274 . . . . 0.0 117.139 -158.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 11.2 tpt -68.82 -31.95 71.3 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.269 1.028 . . . . 0.0 112.77 177.456 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 70.8 mt -79.51 -38.45 34.34 Favored 'General case' 0 CA--C 1.536 0.437 0 O-C-N 121.464 -0.773 . . . . 0.0 112.128 -177.393 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.09 -37.58 87.79 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 112.462 0.542 . . . . 0.0 112.462 162.334 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.5 tmtm? -67.66 -32.3 72.88 Favored 'General case' 0 CA--C 1.552 1.03 0 O-C-N 119.362 -2.086 . . . . 0.0 111.266 172.293 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 9.2 t -62.0 -39.77 93.36 Favored 'General case' 0 CA--C 1.554 1.112 0 CA-C-N 120.18 1.354 . . . . 0.0 113.962 167.238 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.8 t -45.46 -56.42 5.06 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.071 0.948 . . . . 0.0 110.971 159.743 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.403 ' HA ' ' HB3' ' A' ' 26' ' ' ALA 0.301 7.8 m-30 -72.61 -22.82 60.9 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 114.209 1.188 . . . . 0.0 114.209 -174.755 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -58.25 -40.31 81.43 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 159.144 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.91 -44.27 94.84 Favored Glycine 0 CA--C 1.534 1.278 0 N-CA-C 114.796 0.678 . . . . 0.0 114.796 166.355 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.403 ' HB3' ' HA ' ' A' ' 23' ' ' TYR . . . -63.4 -23.6 67.48 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 114.878 1.436 . . . . 0.0 114.878 177.461 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -62.23 84.8 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.064 0 CA-C-N 121.164 1.802 . . . . 0.0 110.768 161.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.1 tpm_? -62.36 108.38 1.09 Allowed 'General case' 0 CA--C 1.548 0.897 0 CA-C-O 122.55 1.167 . . . . 0.0 113.532 172.148 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -69.81 154.43 41.98 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-N 114.935 -1.029 . . . . 0.0 112.234 170.31 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -53.42 -50.93 64.17 Favored 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 115.737 1.755 . . . . 0.0 115.737 174.761 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -134.83 -21.09 1.71 Allowed 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 115.892 1.812 . . . . 0.0 115.892 -170.034 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -70.25 159.05 34.74 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 121.369 1.895 . . . . 0.0 114.868 179.475 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.8 t -107.55 160.54 15.6 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-O 122.513 1.149 . . . . 0.0 113.562 175.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 83.2 m -61.39 -54.95 37.02 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.434 1.493 . . . . 0.0 114.575 -164.257 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -73.72 -16.41 61.19 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 113.478 0.918 . . . . 0.0 113.478 -179.394 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -73.05 -50.78 21.02 Favored 'General case' 0 CA--C 1.548 0.874 0 O-C-N 120.389 -1.444 . . . . 0.0 111.044 168.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.592 ' O ' HD12 ' A' ' 41' ' ' ILE . 58.9 mtm180 -55.9 -51.18 68.49 Favored 'General case' 0 C--N 1.346 0.443 0 CA-C-N 114.943 -1.026 . . . . 0.0 111.528 168.759 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . 0.27 . . -90.02 11.71 19.81 Favored 'General case' 0 CA--C 1.551 0.993 0 N-CA-C 116.714 2.116 . . . . 0.0 116.714 178.563 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -72.62 -38.38 67.77 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 119.487 -2.008 . . . . 0.0 111.941 143.309 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 84.5 mtm180 -70.05 -45.8 66.35 Favored 'General case' 0 CA--C 1.554 1.103 0 N-CA-C 114.237 1.199 . . . . 0.0 114.237 168.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.592 HD12 ' O ' ' A' ' 37' ' ' ARG . 3.6 mp -72.68 89.08 0.46 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.892 0 CA-C-O 126.641 3.115 . . . . 0.0 113.134 168.026 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 34.2 mtmm -88.58 -7.23 56.78 Favored 'General case' 0 CA--C 1.543 0.697 1 CA-C-N 107.571 -4.377 . . . . 0.0 116.51 -174.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 47.0 mm -59.55 -38.9 77.7 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.903 0 N-CA-C 115.733 1.753 . . . . 0.0 115.733 -156.075 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -168.64 159.15 32.18 Favored Glycine 0 CA--C 1.545 1.936 0 CA-C-O 117.495 -1.725 . . . . 0.0 115.468 176.281 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_exo -52.55 -53.79 6.27 Favored 'Trans proline' 0 C--N 1.361 1.233 0 C-N-CA 125.183 3.922 . . . . 0.0 116.019 177.773 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 44.5 mttt -63.64 -27.56 69.32 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 172.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 34.8 t -65.15 -59.56 3.97 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-O 117.213 -1.375 . . . . 0.0 109.433 173.155 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -48.82 -45.41 15.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 CA-C-N 120.763 1.619 . . . . 0.0 115.027 171.039 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -62.29 -52.71 62.61 Favored 'General case' 0 CA--C 1.549 0.918 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 174.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.42 -46.46 69.79 Favored 'General case' 0 CA--C 1.548 0.893 0 CA-C-N 120.033 1.288 . . . . 0.0 110.815 171.077 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.581 ' CE2' HD13 ' A' ' 41' ' ' ILE . 3.9 t80 -55.1 -58.97 5.48 Favored 'General case' 0 C--N 1.35 0.6 0 C-N-CA 125.028 1.331 . . . . 0.0 112.386 175.504 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.403 ' O ' ' HD1' ' A' ' 56' ' ' TYR . 79.7 mttt -61.56 -38.98 89.46 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 119.264 0.938 . . . . 0.0 113.215 -178.256 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -72.8 -42.8 63.49 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 114.349 1.241 . . . . 0.0 114.349 178.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.4 m -60.02 -37.58 80.16 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 165.346 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 5.6 t -63.46 -38.01 89.5 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 119.681 1.128 . . . . 0.0 112.695 172.644 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.403 ' HD1' ' O ' ' A' ' 52' ' ' LYS . 18.5 m-85 -58.67 -45.28 89.77 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 119.771 1.169 . . . . 0.0 113.569 165.882 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 21.7 mm -59.92 -44.65 94.89 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 CA-C-N 119.569 1.077 . . . . 0.0 112.84 172.655 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.05 -45.64 75.28 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.393 1.077 . . . . 0.0 113.836 172.534 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -67.45 -34.24 76.77 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 114.145 1.165 . . . . 0.0 114.145 172.502 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -62.72 -46.11 89.61 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 119.818 1.19 . . . . 0.0 112.318 167.753 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 94.1 t -58.48 -42.28 83.97 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.842 0 CA-C-N 119.713 1.142 . . . . 0.0 112.55 172.648 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 43.7 ttt180 -59.29 -40.13 85.18 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 113.612 0.968 . . . . 0.0 113.612 171.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.27 -42.57 62.32 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 172.309 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -75.05 -49.07 20.95 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 114.623 1.342 . . . . 0.0 114.623 178.731 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . 0.252 58.8 mt-30 55.05 65.0 1.61 Allowed 'General case' 0 CA--C 1.553 1.085 0 N-CA-C 116.226 1.935 . . . . 0.0 116.226 -175.427 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . . . . . . . . 1 C--N 1.232 -4.513 0 O-C-N 121.45 -0.781 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.5 mmm . . . . . 0 CA--C 1.546 0.8 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -98.5 100.93 12.23 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-O 123.732 1.729 . . . . 0.0 113.219 -174.378 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -50.99 -48.92 61.23 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 111.995 -2.366 . . . . 0.0 112.294 171.359 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.417 ' O ' ' HB2' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -64.51 -14.83 59.29 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 114.453 1.279 . . . . 0.0 114.453 175.75 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.04 -38.6 18.99 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-N 121.606 2.003 . . . . 0.0 113.033 171.903 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.6 mp -61.92 -52.85 55.67 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.18 0 CA-C-N 119.799 1.181 . . . . 0.0 109.609 164.429 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -61.37 -32.03 71.94 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 116.83 -1.557 . . . . 0.0 113.6 -178.881 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.417 ' HB2' ' O ' ' A' ' 4' ' ' LYS . 17.7 tt0 -70.99 -57.57 4.42 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 122.767 2.53 . . . . 0.0 113.021 171.124 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -66.11 -47.31 74.56 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 120.364 1.438 . . . . 0.0 112.815 -177.443 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.72 -0.24 15.02 Favored 'General case' 0 CA--C 1.555 1.158 0 N-CA-C 117.152 2.278 . . . . 0.0 117.152 165.372 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -79.04 -47.33 16.4 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 125.101 3.591 . . . . 0.0 112.851 151.449 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 43.2 mtmt -73.5 62.9 0.77 Allowed 'General case' 0 CA--C 1.55 0.971 0 CA-C-O 122.781 1.277 . . . . 0.0 112.554 -177.166 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -58.13 -12.01 3.1 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 115.287 1.588 . . . . 0.0 115.287 173.938 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -61.69 -36.85 82.09 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.679 1.192 . . . . 0.0 112.729 162.23 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -89.72 69.96 7.72 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-O 124.869 2.271 . . . . 0.0 109.979 174.006 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.7 -46.37 77.66 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 109.53 -3.486 . . . . 0.0 114.845 -167.855 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -70.45 -29.0 65.46 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.173 0.989 . . . . 0.0 113.597 177.046 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 84.5 mt -81.89 -40.27 22.62 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 119.622 1.101 . . . . 0.0 112.79 -178.285 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.1 pptp? -68.45 -32.01 71.73 Favored 'General case' 0 CA--C 1.547 0.837 0 O-C-N 121.486 -0.759 . . . . 0.0 112.657 163.933 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.29 -27.2 66.98 Favored 'General case' 0 CA--C 1.547 0.862 0 CA-C-N 121.962 2.165 . . . . 0.0 112.305 169.19 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 9.0 t -67.01 -38.71 86.45 Favored 'General case' 0 CA--C 1.551 0.997 0 CA-C-N 119.8 1.182 . . . . 0.0 113.73 164.798 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -47.81 -51.98 20.57 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-N 119.502 1.046 . . . . 0.0 110.833 159.076 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.331 5.1 m-30 -72.9 -26.74 61.53 Favored 'General case' 0 CA--C 1.55 0.955 0 N-CA-C 113.588 0.958 . . . . 0.0 113.588 -176.451 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -56.42 -37.63 70.48 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 119.93 1.241 . . . . 0.0 114.225 158.489 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.35 -44.57 90.26 Favored Glycine 0 CA--C 1.535 1.307 0 CA-C-N 118.979 0.808 . . . . 0.0 114.487 166.396 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.26 -47.41 73.8 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 115.846 1.795 . . . . 0.0 115.846 -177.665 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . 0.357 2.0 p90 -77.29 59.84 1.87 Allowed 'General case' 0 CA--C 1.553 1.079 0 CA-C-N 124.005 3.093 . . . . 0.0 114.484 176.974 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.91 123.05 38.16 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 113.852 -1.522 . . . . 0.0 110.651 178.034 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 29.9 m-80 -112.66 -124.87 0.28 Allowed 'General case' 0 CA--C 1.551 0.999 0 O-C-N 121.137 -0.977 . . . . 0.0 110.952 -173.327 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -67.89 -14.62 63.11 Favored 'General case' 0 CA--C 1.548 0.903 0 O-C-N 119.965 -1.709 . . . . 0.0 115.238 171.829 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -68.22 123.22 20.1 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 124.662 1.185 . . . . 0.0 112.276 -179.317 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -60.27 -81.01 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.847 0 N-CA-C 117.225 2.306 . . . . 0.0 117.225 -154.685 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.0 t -126.61 141.09 51.97 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 121.275 1.852 . . . . 0.0 113.864 -170.937 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 76.5 m -69.77 -50.94 38.31 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 115.796 1.776 . . . . 0.0 115.796 -163.808 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.72 -16.61 63.18 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 115.137 1.532 . . . . 0.0 115.137 -178.413 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -73.78 -53.8 9.47 Favored 'General case' 0 CA--C 1.55 0.953 0 CA-C-N 119.797 1.18 . . . . 0.0 111.352 167.932 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.615 ' O ' HD12 ' A' ' 41' ' ' ILE . 20.4 mtt85 -59.58 -40.65 88.06 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.134 0.974 . . . . 0.0 112.384 172.881 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -91.87 7.43 42.01 Favored 'General case' 0 CA--C 1.55 0.973 0 N-CA-C 116.402 2.001 . . . . 0.0 116.402 171.955 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.75 -32.83 68.12 Favored 'General case' 0 CA--C 1.543 0.673 0 O-C-N 118.923 -2.36 . . . . 0.0 112.013 145.507 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.444 ' HB3' ' O ' ' A' ' 37' ' ' ARG . 54.1 ttp180 -71.14 -49.47 43.69 Favored 'General case' 0 CA--C 1.556 1.179 0 N-CA-C 113.655 0.983 . . . . 0.0 113.655 166.267 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.615 HD12 ' O ' ' A' ' 37' ' ' ARG 0.259 3.3 mp -65.52 87.66 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.549 0.932 0 CA-C-O 127.183 3.373 . . . . 0.0 112.774 165.807 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.0 tppt? -86.41 -11.06 52.99 Favored 'General case' 0 CA--C 1.546 0.801 1 CA-C-N 106.961 -4.654 . . . . 0.0 115.784 -169.464 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 45.7 mm -59.33 -39.1 78.11 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.874 0 N-CA-C 115.605 1.706 . . . . 0.0 115.605 -156.357 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -172.55 161.73 33.32 Favored Glycine 0 CA--C 1.546 1.983 0 CA-C-N 120.78 1.627 . . . . 0.0 116.254 175.68 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_exo -53.22 -50.61 13.39 Favored 'Trans proline' 0 C--N 1.361 1.234 0 C-N-CA 125.18 3.92 . . . . 0.0 115.749 175.496 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 44.8 mttm -64.59 -26.24 68.32 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 113.931 1.085 . . . . 0.0 113.931 172.755 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 49.8 t -68.14 -60.56 2.38 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-O 116.988 -1.482 . . . . 0.0 109.794 171.759 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -49.02 -40.14 12.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 CA-C-N 121.323 1.874 . . . . 0.0 115.178 171.697 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.8 tptp -67.99 -48.27 66.23 Favored 'General case' 0 CA--C 1.552 1.036 0 N-CA-C 114.73 1.381 . . . . 0.0 114.73 174.948 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.14 -48.22 68.09 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 120.222 1.374 . . . . 0.0 110.238 167.451 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.541 ' CE2' HD13 ' A' ' 41' ' ' ILE . 2.9 t80 -55.57 -57.98 9.66 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.196 1.398 . . . . 0.0 112.49 175.924 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 53.3 tptt -64.75 -37.08 86.38 Favored 'General case' 0 CA--C 1.548 0.903 0 CA-C-N 119.81 1.186 . . . . 0.0 113.911 -177.18 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -74.82 -39.18 61.81 Favored 'General case' 0 CA--C 1.554 1.097 0 O-C-N 120.015 -1.678 . . . . 0.0 113.87 175.783 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.7 m -62.46 -34.35 76.65 Favored 'General case' 0 CA--C 1.551 0.982 0 N-CA-C 114.106 1.151 . . . . 0.0 114.106 165.066 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 15.1 t -54.75 -46.08 74.27 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 120.196 1.362 . . . . 0.0 113.551 165.523 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -54.32 -48.13 71.72 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-O 118.044 -0.979 . . . . 0.0 112.939 169.122 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 34.7 mm -56.55 -49.19 78.69 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.176 0 CA-C-N 119.534 1.061 . . . . 0.0 113.3 170.155 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.84 -45.01 86.86 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 114.216 1.191 . . . . 0.0 114.216 176.076 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 39.8 m-80 -68.52 -25.16 64.8 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 114.542 1.312 . . . . 0.0 114.542 174.113 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -67.29 -46.15 74.46 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 120.012 1.278 . . . . 0.0 112.004 162.823 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 94.3 t -65.49 -55.67 18.87 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.772 0 CA-C-O 117.236 -1.364 . . . . 0.0 113.674 176.219 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 29.2 ptt180 -68.18 -14.66 63.15 Favored 'General case' 0 CA--C 1.549 0.938 0 CA-C-N 122.177 2.262 . . . . 0.0 115.419 -176.674 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -79.73 -33.71 40.64 Favored 'General case' 0 CA--C 1.545 0.775 0 O-C-N 120.784 -1.197 . . . . 0.0 113.226 165.995 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -84.53 -48.68 9.32 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.202 1.001 . . . . 0.0 112.479 176.726 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -119.42 -56.31 2.07 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-O 117.865 -1.064 . . . . 0.0 113.273 -176.467 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . . . . . . . . 1 C--N 1.234 -4.439 0 CA-C-N 119.96 1.255 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.1 ttm . . . . . 0 CA--C 1.551 0.984 0 N-CA-C 114.433 1.272 . . . . 0.0 114.433 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 10.4 mp -69.71 63.42 0.19 Allowed 'General case' 0 CA--C 1.559 1.298 0 CA-C-O 124.785 2.231 . . . . 0.0 116.053 -179.647 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 65.1 tp60 -57.29 -36.86 71.59 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 111.757 -2.474 . . . . 0.0 113.473 176.913 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 60.2 tttm -60.72 -42.31 97.0 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.616 1.166 . . . . 0.0 112.919 173.845 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 28.9 mmtm -68.83 -41.7 78.22 Favored 'General case' 0 C--O 1.244 0.81 0 CA-C-N 120.662 1.573 . . . . 0.0 113.769 175.934 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.5 mt -54.67 -56.66 9.34 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 169.645 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.531 ' O ' ' HB2' ' A' ' 11' ' ' ALA . 38.6 mt-10 -71.87 -7.03 46.01 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 115.213 1.56 . . . . 0.0 115.213 179.577 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 81.0 mt-10 -76.23 -39.1 55.41 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 124.714 3.415 . . . . 0.0 113.51 161.502 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -83.01 -51.58 7.43 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 119.779 1.172 . . . . 0.0 112.621 173.821 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.85 12.68 0.36 Allowed 'General case' 0 CA--C 1.558 1.255 0 N-CA-C 116.984 2.216 . . . . 0.0 116.984 163.547 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.531 ' HB2' ' O ' ' A' ' 7' ' ' GLU . . . -67.08 -43.01 83.66 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 117.952 -2.968 . . . . 0.0 114.015 150.215 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 53.6 mttp -61.2 -53.43 57.06 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 114.46 -1.245 . . . . 0.0 114.068 -159.097 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . 0.257 3.2 m-85 61.55 -32.59 0.08 Allowed 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 117.781 2.511 . . . . 0.0 117.781 165.373 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.7 pttt -65.47 -37.93 88.28 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 119.591 1.087 . . . . 0.0 110.581 157.385 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -88.89 65.75 7.7 Favored 'General case' 0 CA--C 1.549 0.924 0 CA-C-O 125.522 2.582 . . . . 0.0 110.409 170.267 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.426 ' O ' ' HB2' ' A' ' 20' ' ' LYS . . . -59.93 -39.26 84.87 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 108.702 -3.863 . . . . 0.0 113.999 -175.85 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 29.8 ttm -67.23 -33.63 75.77 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.085 0.954 . . . . 0.0 112.441 176.049 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 45.0 mt -78.73 -49.07 13.71 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 123.429 0.692 . . . . 0.0 111.681 -178.583 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.06 -32.24 67.84 Favored 'General case' 0 CA--C 1.552 1.041 0 CA-C-N 119.496 1.044 . . . . 0.0 113.722 163.378 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.426 ' HB2' ' O ' ' A' ' 16' ' ' ALA . 0.3 OUTLIER -68.82 -27.15 65.59 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 122.244 2.293 . . . . 0.0 112.775 170.992 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 20.9 m -63.85 -36.25 83.3 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 121.367 1.894 . . . . 0.0 114.026 160.417 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . 0.272 0.1 OUTLIER -50.28 -47.29 55.43 Favored 'General case' 0 N--CA 1.483 1.182 0 CA-C-N 120.149 1.341 . . . . 0.0 111.707 161.892 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.263 3.5 m-30 -74.01 -29.45 61.96 Favored 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 113.828 1.047 . . . . 0.0 113.828 -177.051 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -59.0 -43.44 91.49 Favored 'General case' 0 N--CA 1.476 0.825 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 161.826 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.64 -38.74 90.41 Favored Glycine 0 CA--C 1.532 1.129 0 N-CA-C 115.103 0.801 . . . . 0.0 115.103 173.746 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.36 -36.28 83.17 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 118.259 1.029 . . . . 0.0 113.11 171.802 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -66.87 69.78 0.08 Allowed 'General case' 0 CA--C 1.558 1.276 0 CA-C-O 122.813 1.292 . . . . 0.0 113.335 169.873 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.3 mmm180 -111.83 117.58 33.19 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 119.654 -1.904 . . . . 0.0 112.162 165.033 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 16.9 p-10 -154.91 -40.98 0.09 Allowed 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 114.303 -1.317 . . . . 0.0 114.187 -168.611 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -64.27 -83.9 0.02 OUTLIER 'General case' 0 CA--C 1.552 1.045 0 N-CA-C 116.782 2.141 . . . . 0.0 116.782 -176.235 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -170.16 -39.71 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.075 1.35 . . . . 0.0 113.203 -171.334 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -69.32 152.8 44.55 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 115.751 1.76 . . . . 0.0 115.751 -174.663 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 82.0 p -76.17 142.02 41.69 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.805 174.171 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 17.6 p -64.77 -32.74 74.57 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 113.925 1.083 . . . . 0.0 113.925 -171.496 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -71.21 -29.15 64.8 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-O 117.082 -1.437 . . . . 0.0 114.715 175.544 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -72.2 -42.53 65.68 Favored 'General case' 0 CA--C 1.549 0.939 0 CA-C-N 122.827 2.558 . . . . 0.0 111.026 172.031 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.584 ' O ' HD12 ' A' ' 41' ' ' ILE . 42.8 ttt-85 -63.04 -46.51 87.19 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 114.361 -1.29 . . . . 0.0 110.976 173.933 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -84.19 0.73 47.59 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 116.859 2.17 . . . . 0.0 116.859 171.722 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.63 -27.87 64.39 Favored 'General case' 0 CA--C 1.544 0.739 0 O-C-N 119.372 -2.08 . . . . 0.0 112.649 149.297 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 49.0 mtt180 -76.23 -44.73 36.25 Favored 'General case' 0 CA--C 1.553 1.092 0 N-CA-C 113.801 1.038 . . . . 0.0 113.801 165.541 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.584 HD12 ' O ' ' A' ' 37' ' ' ARG 0.278 3.3 mp -65.37 89.09 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.55 0.953 0 CA-C-O 127.023 3.297 . . . . 0.0 113.505 168.928 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.2 mptt -83.38 -9.02 59.3 Favored 'General case' 0 CA--C 1.543 0.685 1 CA-C-N 107.209 -4.541 . . . . 0.0 116.218 -173.284 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 46.5 mm -58.44 -40.63 79.11 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.847 0 N-CA-C 115.341 1.608 . . . . 0.0 115.341 -158.08 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -176.95 159.86 26.62 Favored Glycine 0 CA--C 1.543 1.825 0 CA-C-O 117.897 -1.502 . . . . 0.0 115.328 174.216 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_exo -50.97 -46.32 31.4 Favored 'Trans proline' 0 C--N 1.361 1.198 0 C-N-CA 125.202 3.935 . . . . 0.0 115.534 175.657 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.23 -24.35 63.07 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 114.533 1.309 . . . . 0.0 114.533 173.263 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.78 -53.1 19.86 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-O 118.179 -0.915 . . . . 0.0 109.979 172.091 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -52.59 -40.76 34.87 Favored 'Isoleucine or valine' 0 C--N 1.351 0.638 0 N-CA-C 114.522 1.304 . . . . 0.0 114.522 167.952 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.53 -46.25 83.69 Favored 'General case' 0 CA--C 1.554 1.122 0 N-CA-C 115.087 1.514 . . . . 0.0 115.087 175.193 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.15 -47.76 80.37 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 120.296 1.407 . . . . 0.0 111.459 167.871 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.549 ' CE2' HD13 ' A' ' 41' ' ' ILE . 2.1 t80 -54.06 -54.39 40.0 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.935 1.294 . . . . 0.0 111.979 175.555 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.0 mmtt -63.43 -40.5 97.34 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 114.776 1.398 . . . . 0.0 114.776 179.143 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.431 ' O ' HD12 ' A' ' 57' ' ' ILE . 65.6 m-20 -56.42 -59.25 5.24 Favored 'General case' 0 C--N 1.352 0.69 0 CA-C-N 119.825 1.193 . . . . 0.0 112.405 170.855 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 19.4 m -60.75 -29.61 69.51 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 114.915 1.45 . . . . 0.0 114.915 175.566 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 43.6 t -57.51 -51.01 71.22 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 121.445 1.93 . . . . 0.0 113.245 165.637 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -63.44 -34.23 77.29 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-O 118.184 -0.912 . . . . 0.0 113.433 175.813 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.431 HD12 ' O ' ' A' ' 53' ' ' ASP . 1.8 mp -60.87 -52.49 61.01 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 CA-C-N 119.973 1.26 . . . . 0.0 113.364 163.684 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -52.49 -45.16 66.05 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 119.767 1.167 . . . . 0.0 114.092 177.196 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 24.3 m-80 -65.14 -42.83 93.44 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 113.644 0.979 . . . . 0.0 113.644 172.239 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -64.68 -43.09 94.66 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 173.978 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 78.3 t -62.12 -40.39 87.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 CA-C-N 119.748 1.158 . . . . 0.0 112.371 172.0 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 6.1 tpm_? -61.57 -35.64 78.36 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-N 119.604 1.093 . . . . 0.0 113.493 170.798 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.98 -37.0 67.19 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 114.048 1.129 . . . . 0.0 114.048 169.407 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -69.47 -42.55 74.7 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 119.76 1.164 . . . . 0.0 113.678 171.486 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -125.33 117.15 23.14 Favored 'General case' 0 CA--C 1.549 0.91 0 O-C-N 120.64 -1.288 . . . . 0.0 113.407 179.302 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . . . . . . . . 1 C--N 1.228 -4.694 0 O-C-N 121.28 -0.887 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.3 mpp? . . . . . 0 CA--C 1.549 0.912 0 N-CA-C 113.588 0.959 . . . . 0.0 113.588 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.486 ' O ' HD12 ' A' ' 6' ' ' ILE . 32.3 mt -69.6 -41.33 75.9 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.054 0.941 . . . . 0.0 113.269 -178.139 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 23.9 mp0 -58.39 -38.65 77.75 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.286 1.434 . . . . 0.0 113.259 176.279 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.1 tptp -59.4 -37.11 77.18 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.187 1.395 . . . . 0.0 113.109 171.192 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.9 mmmp? -71.17 -41.57 70.2 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 115.376 1.621 . . . . 0.0 115.376 174.979 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.486 HD12 ' O ' ' A' ' 2' ' ' LEU . 5.3 mp -59.03 -48.25 87.29 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.298 0 CA-C-N 121.296 1.862 . . . . 0.0 109.557 168.094 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -57.37 -37.02 71.99 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-O 117.371 -1.3 . . . . 0.0 112.618 174.281 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -70.77 -45.67 64.31 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 122.555 2.434 . . . . 0.0 114.761 172.578 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -73.33 -52.25 14.56 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 121.933 2.151 . . . . 0.0 113.022 177.483 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.24 5.09 2.36 Favored 'General case' 0 CA--C 1.556 1.185 0 N-CA-C 116.928 2.196 . . . . 0.0 116.928 165.381 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.63 -43.77 46.17 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 117.651 -3.156 . . . . 0.0 112.676 150.06 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 38.9 mtmm -76.65 60.81 1.72 Allowed 'General case' 0 CA--C 1.548 0.881 0 CA-C-O 122.852 1.311 . . . . 0.0 112.511 -173.653 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -61.08 -11.44 8.61 Favored 'General case' 0 CA--C 1.548 0.882 0 N-CA-C 115.403 1.631 . . . . 0.0 115.403 176.311 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.9 ttpt -64.73 -37.76 88.71 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 123.999 0.92 . . . . 0.0 111.49 162.717 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -88.48 68.01 8.69 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-O 124.72 2.2 . . . . 0.0 110.184 173.989 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.433 ' O ' ' HB2' ' A' ' 20' ' ' LYS . . . -56.58 -44.71 81.29 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 109.876 -3.329 . . . . 0.0 114.563 -170.463 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 60.9 mtp -67.75 -28.7 67.86 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 113.332 0.864 . . . . 0.0 113.332 176.669 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 70.5 mt -86.9 -42.85 12.87 Favored 'General case' 0 C--O 1.236 0.392 0 O-C-N 121.528 -0.732 . . . . 0.0 112.272 -174.884 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.0 -32.13 73.57 Favored 'General case' 0 CA--C 1.55 0.963 0 O-C-N 121.178 -0.951 . . . . 0.0 113.05 161.277 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.433 ' HB2' ' O ' ' A' ' 16' ' ' ALA . 0.7 OUTLIER -70.67 -24.18 62.64 Favored 'General case' 0 CA--C 1.549 0.909 0 CA-C-N 122.497 2.408 . . . . 0.0 112.328 171.202 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.7 t -65.95 -39.12 90.18 Favored 'General case' 0 CA--C 1.549 0.938 0 CA-C-N 119.482 1.037 . . . . 0.0 113.202 164.253 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -47.63 -53.17 15.54 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.101 0.56 . . . . 0.0 110.974 158.891 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.423 ' O ' ' HD2' ' A' ' 27' ' ' TYR 0.281 4.3 m-30 -72.75 -22.58 60.83 Favored 'General case' 0 CA--C 1.552 1.04 0 N-CA-C 114.266 1.209 . . . . 0.0 114.266 -175.975 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -58.35 -46.47 86.21 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 120.076 1.307 . . . . 0.0 112.975 158.085 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.46 -41.9 99.65 Favored Glycine 0 CA--C 1.533 1.199 0 N-CA-C 115.104 0.802 . . . . 0.0 115.104 172.475 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.44 -43.44 97.4 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 113.499 0.926 . . . . 0.0 113.499 174.044 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.423 ' HD2' ' O ' ' A' ' 23' ' ' TYR . 58.9 m-85 -72.57 72.24 1.0 Allowed 'General case' 0 CA--C 1.549 0.931 0 CA-C-O 123.267 1.508 . . . . 0.0 113.547 172.539 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 60.0 ttt-85 -95.31 122.88 38.48 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 114.709 -1.132 . . . . 0.0 110.167 166.953 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -86.4 -92.08 0.1 Allowed 'General case' 0 CA--C 1.545 0.772 0 CA-C-O 118.521 -0.752 . . . . 0.0 112.789 -166.251 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -79.91 -77.11 0.19 Allowed 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 120.708 1.594 . . . . 0.0 113.178 -176.361 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -162.87 37.97 0.1 Allowed 'General case' 0 CA--C 1.556 1.183 0 C-N-CA 124.424 1.09 . . . . 0.0 111.901 175.424 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 24.8 pm0 -72.26 159.52 33.93 Favored 'General case' 0 CA--C 1.55 0.959 0 O-C-N 120.527 -1.358 . . . . 0.0 114.334 173.511 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.461 ' O ' ' HG2' ' A' ' 36' ' ' GLU . 63.6 p -85.4 138.94 31.93 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 119.934 -1.729 . . . . 0.0 110.617 173.549 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 72.7 m -63.29 -40.72 98.17 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -179.752 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -76.0 -10.01 59.07 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 115.2 1.556 . . . . 0.0 115.2 -178.406 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.461 ' HG2' ' O ' ' A' ' 33' ' ' THR . 8.8 pt-20 -73.15 -46.98 47.78 Favored 'General case' 0 CA--C 1.551 0.99 0 CA-C-N 123.029 2.65 . . . . 0.0 110.743 163.26 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.569 ' O ' HD12 ' A' ' 41' ' ' ILE . 64.7 mtm180 -62.69 -50.12 72.42 Favored 'General case' 0 C--N 1.344 0.354 0 CA-C-N 114.572 -1.194 . . . . 0.0 110.428 173.809 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -90.41 15.73 10.11 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 115.577 1.695 . . . . 0.0 115.577 175.794 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.41 -54.82 19.95 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 119.523 -1.986 . . . . 0.0 110.383 136.348 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 48.7 tpt85 -64.89 -45.99 83.64 Favored 'General case' 0 CA--C 1.558 1.253 0 N-CA-C 115.167 1.543 . . . . 0.0 115.167 176.637 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.569 HD12 ' O ' ' A' ' 37' ' ' ARG . 3.2 mp -67.28 90.79 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.664 0 CA-C-O 126.575 3.083 . . . . 0.0 111.742 166.63 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.27 42.31 3.1 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-N 109.007 -3.724 . . . . 0.0 112.859 177.975 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 67.5 mt -73.68 -37.85 50.21 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.866 0 O-C-N 121.042 -1.036 . . . . 0.0 111.89 179.66 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -168.38 161.02 34.74 Favored Glycine 0 CA--C 1.547 2.057 0 CA-C-O 118.319 -1.267 . . . . 0.0 115.406 175.216 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_exo -53.51 -48.34 22.47 Favored 'Trans proline' 0 C--N 1.361 1.201 0 C-N-CA 124.954 3.769 . . . . 0.0 115.277 173.279 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.29 -32.57 72.41 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.951 0.901 . . . . 0.0 113.324 172.936 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 15.2 t -65.66 -60.26 3.09 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 117.457 -1.259 . . . . 0.0 109.932 175.262 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -51.26 -39.68 21.46 Favored 'Isoleucine or valine' 0 C--N 1.353 0.731 0 CA-C-N 120.466 1.485 . . . . 0.0 114.598 173.464 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.5 tptp -66.9 -50.2 63.19 Favored 'General case' 0 CA--C 1.553 1.07 0 CA-C-O 117.215 -1.374 . . . . 0.0 114.556 174.963 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.31 -47.86 65.71 Favored 'General case' 0 N--CA 1.482 1.137 0 CA-C-N 120.789 1.631 . . . . 0.0 111.058 168.503 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.504 ' CE2' HD13 ' A' ' 41' ' ' ILE . 2.7 t80 -54.28 -54.83 34.9 Favored 'General case' 0 C--N 1.35 0.62 0 C-N-CA 125.304 1.441 . . . . 0.0 112.152 176.525 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 52.9 tptt -65.46 -34.86 79.28 Favored 'General case' 0 CA--C 1.552 1.036 0 N-CA-C 113.664 0.987 . . . . 0.0 113.664 179.72 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -64.75 -50.37 67.11 Favored 'General case' 0 CA--C 1.551 0.999 0 O-C-N 120.452 -1.405 . . . . 0.0 113.188 173.203 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 9.8 m -63.29 -27.55 69.41 Favored 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 114.562 1.319 . . . . 0.0 114.562 170.106 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 47.4 t -59.79 -42.28 93.03 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 120.323 1.42 . . . . 0.0 113.014 163.892 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -59.05 -37.28 76.62 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-O 117.938 -1.03 . . . . 0.0 113.486 167.527 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 25.4 mm -59.13 -51.96 66.37 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.312 0 CA-C-N 121.268 1.849 . . . . 0.0 113.806 164.492 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.02 -40.15 66.77 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 176.414 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -67.78 -42.04 82.28 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 114.443 1.275 . . . . 0.0 114.443 169.905 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -60.29 -46.21 90.65 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 120.404 1.456 . . . . 0.0 112.857 170.298 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 91.3 t -61.86 -38.27 80.17 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.856 0 CA-C-N 119.421 1.01 . . . . 0.0 112.804 173.487 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 4.4 tpp180 -61.75 -39.89 93.2 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 113.236 0.828 . . . . 0.0 113.236 172.279 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.75 -49.46 20.89 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 113.851 1.056 . . . . 0.0 113.851 172.48 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -76.06 61.91 1.6 Allowed 'General case' 0 CA--C 1.551 1.019 0 CA-C-O 122.985 1.374 . . . . 0.0 113.921 -177.233 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -107.05 -52.4 2.77 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-O 117.958 -1.02 . . . . 0.0 113.389 175.136 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . . . . . . . . 1 C--N 1.233 -4.477 0 CA-C-N 119.84 1.2 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 34.1 ttm . . . . . 0 CA--C 1.55 0.969 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.483 ' O ' HD12 ' A' ' 6' ' ' ILE . 63.2 mt 48.46 -100.6 0.07 Allowed 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 126.541 1.936 . . . . 0.0 114.636 179.327 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -62.45 -42.64 99.61 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.696 1.198 . . . . 0.0 111.848 -177.233 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 54.8 mmtt -65.61 -24.57 67.09 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 175.006 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.2 tmtm? -76.31 -40.88 50.31 Favored 'General case' 0 CA--C 1.549 0.931 0 CA-C-N 118.652 0.66 . . . . 0.0 112.056 175.515 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.483 HD12 ' O ' ' A' ' 2' ' ' LEU . 4.0 mp -60.36 -48.47 88.16 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 CA-C-O 118.163 -0.922 . . . . 0.0 109.666 165.616 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -56.13 -57.66 11.22 Favored 'General case' 0 C--N 1.35 0.602 0 CA-C-O 115.706 -2.093 . . . . 0.0 112.297 176.101 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.423 ' O ' ' HG3' ' A' ' 12' ' ' LYS 0.356 1.4 pp20? -69.73 -14.93 63.04 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 124.676 3.398 . . . . 0.0 115.077 -179.548 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.08 -61.95 1.63 Allowed 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 125.355 3.707 . . . . 0.0 113.419 163.039 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.3 -2.08 4.05 Favored 'General case' 0 CA--C 1.555 1.163 0 N-CA-C 117.384 2.364 . . . . 0.0 117.384 175.218 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -84.12 -28.51 27.42 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 124.053 3.115 . . . . 0.0 114.781 156.612 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.423 ' HG3' ' O ' ' A' ' 8' ' ' GLU . 42.4 mttp -68.69 -51.11 45.3 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 120.168 1.349 . . . . 0.0 112.886 -176.601 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 63.13 -31.77 0.1 Allowed 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 126.536 1.934 . . . . 0.0 116.174 -177.755 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.8 mttp -61.33 -37.53 83.63 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 126.64 1.976 . . . . 0.0 112.367 168.59 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 6.7 m-30 -76.49 65.34 2.33 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-O 123.877 1.799 . . . . 0.0 111.176 165.343 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.53 -47.09 82.94 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 111.623 -2.535 . . . . 0.0 116.074 -166.479 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 47.8 mtm -69.89 -33.35 72.1 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.407 1.083 . . . . 0.0 113.394 177.747 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 24.5 mt -77.68 -45.48 24.78 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-O 121.418 0.627 . . . . 0.0 111.439 -177.006 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.49 -38.09 76.89 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 163.597 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.2 ttpp -62.39 -39.76 94.27 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 121.016 1.735 . . . . 0.0 111.151 169.823 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 12.7 m -54.25 -41.64 69.0 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 122.693 2.497 . . . . 0.0 114.116 167.408 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -48.62 -53.96 16.48 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 118.892 0.769 . . . . 0.0 111.69 164.792 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.259 7.4 m-30 -74.11 -25.38 59.75 Favored 'General case' 0 CA--C 1.55 0.974 0 N-CA-C 114.412 1.264 . . . . 0.0 114.412 -175.117 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -61.93 -36.72 82.23 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.251 1.02 . . . . 0.0 113.319 161.858 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.4 -44.38 65.24 Favored Glycine 0 CA--C 1.534 1.244 0 CA-C-O 119.305 -0.72 . . . . 0.0 114.714 168.435 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.33 -33.39 75.43 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 114.394 1.257 . . . . 0.0 114.394 176.375 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -82.04 61.79 5.49 Favored 'General case' 0 CA--C 1.551 0.988 0 O-C-N 120.595 -1.315 . . . . 0.0 113.455 167.83 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 58.6 ttt180 -94.01 145.51 24.61 Favored 'General case' 0 CA--C 1.549 0.922 0 O-C-N 121.37 -0.831 . . . . 0.0 111.923 170.095 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -98.2 151.39 20.48 Favored 'General case' 0 CA--C 1.545 0.781 0 O-C-N 121.368 -0.833 . . . . 0.0 110.828 177.565 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -68.91 44.14 0.04 OUTLIER 'General case' 0 CA--C 1.556 1.201 0 N-CA-C 115.869 1.804 . . . . 0.0 115.869 -176.988 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -154.54 -68.42 0.13 Allowed 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.102 1.361 . . . . 0.0 112.592 -174.148 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -66.79 151.72 46.93 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 116.055 1.872 . . . . 0.0 116.055 174.524 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 71.4 p -94.42 137.95 32.95 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 114.28 -1.327 . . . . 0.0 110.038 170.543 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.1 p -60.12 -27.36 66.98 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 114.439 1.274 . . . . 0.0 114.439 -176.777 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 56.6 mp0 -65.4 -25.1 67.4 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.544 1.137 . . . . 0.0 113.886 176.954 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -66.76 -55.84 13.19 Favored 'General case' 0 CA--C 1.547 0.849 0 CA-C-N 121.094 1.77 . . . . 0.0 111.011 173.192 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.61 ' O ' HD12 ' A' ' 41' ' ' ILE . 45.6 mtm180 -58.14 -49.19 77.83 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 113.05 -1.887 . . . . 0.0 111.658 172.976 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -84.28 2.33 40.61 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 116.429 2.011 . . . . 0.0 116.429 178.011 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.97 -33.21 71.78 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 119.677 -1.89 . . . . 0.0 112.305 147.603 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 81.3 mtp180 -78.91 -43.27 25.15 Favored 'General case' 0 CA--C 1.555 1.168 0 N-CA-C 115.54 1.681 . . . . 0.0 115.54 167.085 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.61 HD12 ' O ' ' A' ' 37' ' ' ARG 0.296 3.3 mp -63.99 90.22 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.549 0.94 0 CA-C-O 126.836 3.208 . . . . 0.0 114.298 171.136 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -98.71 13.29 32.75 Favored 'General case' 0 CA--C 1.546 0.825 1 CA-C-N 107.327 -4.488 . . . . 0.0 115.758 -177.002 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 47.8 mm -64.82 -37.28 79.76 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.918 0 O-C-N 120.899 -1.125 . . . . 0.0 113.815 -170.312 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -176.08 160.03 27.72 Favored Glycine 0 CA--C 1.544 1.887 0 CA-C-O 117.912 -1.494 . . . . 0.0 114.845 173.056 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_exo -52.59 -49.49 17.31 Favored 'Trans proline' 0 C--N 1.36 1.181 0 C-N-CA 124.889 3.726 . . . . 0.0 115.528 175.662 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 23.8 tttm -73.43 -18.67 61.11 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 123.32 0.648 . . . . 0.0 112.588 178.088 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.66 -55.95 8.6 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.141 0.976 . . . . 0.0 109.915 168.936 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -52.32 -39.56 28.49 Favored 'Isoleucine or valine' 0 C--N 1.353 0.733 0 N-CA-C 114.726 1.38 . . . . 0.0 114.726 170.487 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -63.43 -51.08 67.23 Favored 'General case' 0 CA--C 1.551 1.0 0 N-CA-C 114.497 1.295 . . . . 0.0 114.497 171.816 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.17 -47.75 62.09 Favored 'General case' 0 N--CA 1.483 1.182 0 CA-C-N 121.578 1.99 . . . . 0.0 110.684 169.307 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.574 ' CE2' HD13 ' A' ' 41' ' ' ILE . 2.2 t80 -54.85 -57.58 11.02 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.281 1.432 . . . . 0.0 112.732 175.687 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 47.8 tptt -65.58 -36.78 84.76 Favored 'General case' 0 CA--C 1.55 0.959 0 N-CA-C 114.064 1.135 . . . . 0.0 114.064 -178.045 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -71.45 -42.49 68.11 Favored 'General case' 0 CA--C 1.549 0.904 0 O-C-N 120.046 -1.659 . . . . 0.0 113.711 175.507 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 2.2 m -61.34 -32.64 72.53 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 113.968 1.099 . . . . 0.0 113.968 165.549 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 47.7 t -59.89 -41.54 91.83 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 120.463 1.483 . . . . 0.0 113.674 166.586 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -54.06 -48.72 70.31 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 119.685 1.13 . . . . 0.0 112.614 167.117 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 24.6 mm -58.55 -47.5 88.27 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 N-CA-C 113.3 0.852 . . . . 0.0 113.3 172.752 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.05 -49.78 68.22 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 123.822 0.849 . . . . 0.0 113.24 173.649 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.03 -36.18 83.53 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 113.083 0.772 . . . . 0.0 113.083 176.25 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -66.53 -40.91 89.37 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 119.827 1.194 . . . . 0.0 113.491 171.097 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 92.5 t -64.58 -53.25 44.75 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.726 0 CA-C-N 119.212 0.914 . . . . 0.0 112.194 171.82 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? -65.61 -16.99 64.26 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 114.998 1.481 . . . . 0.0 114.998 -177.764 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.83 -28.9 67.15 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 113.937 1.088 . . . . 0.0 113.937 166.451 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -112.97 -40.28 4.01 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 114.182 1.179 . . . . 0.0 114.182 178.341 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -124.34 123.06 39.37 Favored 'General case' 0 CA--C 1.546 0.805 0 O-C-N 120.437 -1.414 . . . . 0.0 112.96 -176.105 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . . . . . . . . 1 C--N 1.23 -4.61 0 O-C-N 121.927 -0.483 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.4 ptp . . . . . 0 CA--C 1.555 1.153 0 N-CA-C 114.944 1.461 . . . . 0.0 114.944 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.451 ' O ' HD12 ' A' ' 6' ' ' ILE . 81.8 mt 63.51 53.82 2.04 Favored 'General case' 0 CA--C 1.554 1.105 0 C-N-CA 126.37 1.868 . . . . 0.0 115.721 174.498 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -54.03 -49.45 68.89 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 115.098 1.518 . . . . 0.0 115.098 -178.734 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -55.66 -37.19 67.93 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.24 1.416 . . . . 0.0 112.742 177.728 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.5 mmmp? -66.17 -50.49 63.74 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 116.823 -1.56 . . . . 0.0 113.279 173.621 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.451 HD12 ' O ' ' A' ' 2' ' ' LEU . 5.3 mp -60.04 -46.97 93.6 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.242 0 CA-C-N 121.694 2.043 . . . . 0.0 110.538 172.602 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -57.27 -48.65 78.34 Favored 'General case' 0 C--N 1.344 0.348 0 CA-C-O 114.989 -2.434 . . . . 0.0 112.742 178.772 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -83.51 -24.99 31.45 Favored 'General case' 0 CA--C 1.549 0.924 0 CA-C-N 125.976 3.989 . . . . 0.0 115.451 175.679 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -73.99 -32.73 63.54 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 122.508 2.413 . . . . 0.0 112.685 175.447 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.71 -87.74 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.863 0 CA-C-O 116.966 -1.492 . . . . 0.0 114.809 147.59 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.51 -20.65 8.16 Favored 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 119.296 3.073 . . . . 0.0 119.296 -149.874 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.3 ttmt -69.82 -28.02 65.36 Favored 'General case' 0 CA--C 1.55 0.959 0 CA-C-N 119.076 0.853 . . . . 0.0 111.754 173.627 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 22.2 m-30 54.96 1.26 0.04 OUTLIER 'General case' 0 CA--C 1.551 0.983 0 N-CA-C 118.89 2.922 . . . . 0.0 118.89 171.305 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 31.3 mmtm -65.02 -48.45 73.86 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 120.76 1.618 . . . . 0.0 111.569 176.026 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -81.6 62.44 5.45 Favored 'General case' 0 CA--C 1.553 1.068 0 CA-C-O 123.246 1.498 . . . . 0.0 112.203 167.516 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.4 -40.89 83.62 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 115.748 1.758 . . . . 0.0 115.748 -174.176 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -68.62 -26.13 65.2 Favored 'General case' 0 CA--C 1.546 0.827 0 N-CA-C 113.391 0.886 . . . . 0.0 113.391 175.117 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 59.5 mt -86.65 -38.45 17.03 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 121.434 -0.792 . . . . 0.0 111.628 179.763 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.6 tmtt? -52.86 -44.2 66.65 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 114.42 1.267 . . . . 0.0 114.42 154.935 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -66.74 -25.2 66.39 Favored 'General case' 0 CA--C 1.557 1.226 0 O-C-N 119.695 -1.878 . . . . 0.0 112.139 173.418 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 7.2 t -68.43 -38.55 81.29 Favored 'General case' 0 CA--C 1.553 1.094 0 O-C-N 120.49 -1.382 . . . . 0.0 113.979 165.183 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.2 t -47.0 -51.13 17.92 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 119.122 0.873 . . . . 0.0 110.519 159.279 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.314 6.7 m-30 -74.42 -21.37 59.66 Favored 'General case' 0 CA--C 1.551 0.998 0 N-CA-C 114.611 1.337 . . . . 0.0 114.611 -176.351 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -58.3 -45.32 88.21 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 119.901 1.228 . . . . 0.0 113.237 155.734 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.59 -45.99 95.27 Favored Glycine 0 CA--C 1.533 1.206 0 N-CA-C 114.747 0.659 . . . . 0.0 114.747 171.478 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.06 -39.92 91.68 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 175.06 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 36.4 m-85 -69.89 75.2 0.46 Allowed 'General case' 0 CA--C 1.549 0.914 0 CA-C-O 122.991 1.377 . . . . 0.0 113.472 168.828 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 67.6 ttt-85 -99.96 116.97 33.24 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-O 121.998 0.904 . . . . 0.0 109.72 165.973 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -105.27 -76.57 0.6 Allowed 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.287 -157.634 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -72.45 -82.52 0.05 OUTLIER 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 124.25 1.02 . . . . 0.0 112.432 176.954 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -165.63 63.44 0.11 Allowed 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 125.704 1.602 . . . . 0.0 108.656 162.122 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -67.88 138.39 56.0 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 115.028 1.492 . . . . 0.0 115.028 -178.067 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.5 p -77.33 114.43 16.14 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-O 122.021 0.915 . . . . 0.0 111.257 170.282 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 93.7 m -56.77 -49.51 75.06 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 114.437 1.273 . . . . 0.0 114.437 -166.744 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.07 -30.47 67.72 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 114.299 1.222 . . . . 0.0 114.299 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -71.68 -46.63 58.26 Favored 'General case' 0 C--O 1.243 0.754 0 CA-C-N 121.456 1.935 . . . . 0.0 111.965 172.748 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.576 ' O ' HD12 ' A' ' 41' ' ' ILE . 27.3 ttp180 -57.81 -51.73 68.4 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 114.825 -1.079 . . . . 0.0 110.822 172.105 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -82.75 -0.98 50.17 Favored 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 116.985 2.217 . . . . 0.0 116.985 176.26 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.61 -38.04 86.13 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 119.402 -2.061 . . . . 0.0 112.166 150.942 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 56.3 mtt85 -71.66 -37.56 70.79 Favored 'General case' 0 CA--C 1.551 1.018 0 N-CA-C 114.39 1.256 . . . . 0.0 114.39 169.932 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.585 HD13 ' CE2' ' A' ' 51' ' ' PHE 0.308 3.4 mp -72.55 84.37 0.4 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.951 0 CA-C-O 127.119 3.342 . . . . 0.0 113.4 167.626 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 29.7 mmtm -91.34 7.38 41.25 Favored 'General case' 0 CA--C 1.544 0.748 1 CA-C-N 107.152 -4.567 . . . . 0.0 116.288 -175.466 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 46.8 mm -66.05 -35.65 75.56 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.893 0 N-CA-C 113.992 1.108 . . . . 0.0 113.992 -168.146 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -173.81 156.53 24.02 Favored Glycine 0 CA--C 1.546 1.993 0 CA-C-O 117.738 -1.59 . . . . 0.0 115.16 173.476 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_exo -52.36 -46.92 29.73 Favored 'Trans proline' 0 C--N 1.361 1.2 0 C-N-CA 124.933 3.755 . . . . 0.0 115.671 174.929 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 49.9 tttm -71.42 -25.57 62.39 Favored 'General case' 0 CA--C 1.551 0.984 0 N-CA-C 112.813 0.672 . . . . 0.0 112.813 177.042 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 17.8 t -64.7 -59.0 4.75 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-O 117.425 -1.274 . . . . 0.0 109.384 169.846 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -49.02 -41.77 13.89 Favored 'Isoleucine or valine' 0 C--N 1.354 0.799 0 CA-C-N 120.21 1.368 . . . . 0.0 114.477 171.351 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -61.99 -54.42 41.91 Favored 'General case' 0 CA--C 1.558 1.277 0 N-CA-C 115.442 1.645 . . . . 0.0 115.442 174.979 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.08 -47.62 68.38 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 124.719 1.207 . . . . 0.0 110.555 169.096 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.585 ' CE2' HD13 ' A' ' 41' ' ' ILE . 2.8 t80 -54.31 -54.93 33.72 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.264 1.426 . . . . 0.0 112.559 175.396 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 59.3 tttm -56.74 -46.9 81.09 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.504 1.522 . . . . 0.0 112.972 -179.462 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -66.46 -47.26 73.66 Favored 'General case' 0 CA--C 1.552 1.044 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 178.667 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.8 m -61.08 -34.49 75.0 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 114.624 1.342 . . . . 0.0 114.624 169.353 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -65.72 -33.54 76.12 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 120.506 1.503 . . . . 0.0 112.748 172.607 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -58.81 -48.84 79.9 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 119.278 0.944 . . . . 0.0 112.4 163.862 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 23.2 mm -60.05 -41.23 85.66 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 N-CA-C 114.097 1.147 . . . . 0.0 114.097 174.478 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.23 -50.26 69.9 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.544 0.738 . . . . 0.0 112.824 171.63 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -61.88 -40.52 95.7 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 171.566 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -60.76 -52.6 64.4 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-O 117.205 -1.379 . . . . 0.0 114.063 172.233 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 34.0 m -66.61 -29.7 47.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 CA-C-N 121.825 2.102 . . . . 0.0 114.129 179.558 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 52.1 mtp85 -69.29 -34.37 74.6 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 114.032 1.123 . . . . 0.0 114.032 168.384 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -81.43 -51.38 8.37 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 119.84 1.2 . . . . 0.0 113.893 172.139 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -80.1 61.86 4.09 Favored 'General case' 0 CA--C 1.55 0.957 0 CA-C-O 123.205 1.478 . . . . 0.0 112.37 -177.081 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 10.8 tp60 -113.52 -43.95 3.27 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-O 117.819 -1.086 . . . . 0.0 113.928 -179.253 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . . . . . . . . 1 C--N 1.233 -4.485 0 CA-C-N 120.087 1.312 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.6 mmm . . . . . 0 CA--C 1.547 0.832 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.469 ' O ' HD12 ' A' ' 6' ' ' ILE . 46.2 mt -80.53 33.17 0.3 Allowed 'General case' 0 CA--C 1.554 1.105 0 O-C-N 119.978 -1.701 . . . . 0.0 115.4 -167.607 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 25.6 mm100 -62.81 -50.79 69.59 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 114.847 1.425 . . . . 0.0 114.847 -168.334 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 60.2 tttm -53.76 -39.33 65.25 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.109 0.964 . . . . 0.0 112.525 174.707 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -65.17 -43.78 90.6 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 124.86 1.264 . . . . 0.0 113.598 179.391 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.469 HD12 ' O ' ' A' ' 2' ' ' LEU . 4.7 mp -68.07 -53.17 31.55 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 CA-C-N 120.017 1.281 . . . . 0.0 110.448 166.85 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.72 -31.38 66.36 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-O 116.986 -1.483 . . . . 0.0 113.679 -175.486 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -85.12 -43.75 13.59 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-N 123.416 2.826 . . . . 0.0 114.981 167.938 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 47.0 mm-40 -89.24 14.03 11.94 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 123.861 3.028 . . . . 0.0 113.988 178.143 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.427 ' O ' ' HD1' ' A' ' 13' ' ' TYR . . . -86.54 -71.84 0.53 Allowed 'General case' 0 CA--C 1.549 0.914 0 O-C-N 118.846 -2.409 . . . . 0.0 116.538 124.633 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.44 -14.36 40.06 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 119.115 3.006 . . . . 0.0 119.115 -157.963 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 68.3 mttt -64.6 -39.44 93.72 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 121.985 2.175 . . . . 0.0 112.733 168.844 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.427 ' HD1' ' O ' ' A' ' 10' ' ' ALA . 0.2 OUTLIER 44.5 24.04 0.09 Allowed 'General case' 0 CA--C 1.553 1.058 0 N-CA-C 118.579 2.807 . . . . 0.0 118.579 178.999 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 31.8 mmtm -78.01 -56.13 4.74 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.317 1.047 . . . . 0.0 111.15 172.026 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.449 ' O ' ' HD3' ' A' ' 19' ' ' LYS . 47.6 m-85 -85.53 70.86 10.8 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-O 124.418 2.056 . . . . 0.0 110.251 170.05 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.29 -36.1 65.8 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 110.723 -2.944 . . . . 0.0 114.539 -171.763 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 35.9 ttm -64.34 -32.94 74.75 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 124.568 1.147 . . . . 0.0 113.283 174.279 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 69.7 mt -86.82 -36.46 18.5 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 120.897 -1.127 . . . . 0.0 112.263 -177.622 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.449 ' HD3' ' O ' ' A' ' 15' ' ' TYR . 10.2 mptt -59.72 -38.61 82.16 Favored 'General case' 0 CA--C 1.563 1.479 0 N-CA-C 113.361 0.875 . . . . 0.0 113.361 159.608 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.91 -30.69 70.08 Favored 'General case' 0 CA--C 1.555 1.138 0 O-C-N 118.815 -2.428 . . . . 0.0 111.684 167.456 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.435 ' O ' ' HD1' ' A' ' 51' ' ' PHE . 10.2 t -58.33 -39.56 79.76 Favored 'General case' 0 CA--C 1.553 1.092 0 CA-C-N 121.792 2.087 . . . . 0.0 112.561 164.823 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -46.6 -57.03 5.16 Favored 'General case' 0 N--CA 1.485 1.281 0 CA-C-N 120.029 1.286 . . . . 0.0 110.834 159.062 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.311 9.8 m-30 -69.97 -25.21 63.51 Favored 'General case' 0 CA--C 1.555 1.149 0 N-CA-C 115.698 1.74 . . . . 0.0 115.698 -174.577 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -65.57 -28.05 68.87 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 114.983 1.475 . . . . 0.0 114.983 160.799 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -78.09 -32.38 44.32 Favored Glycine 0 CA--C 1.534 1.266 0 CA-C-N 119.043 0.838 . . . . 0.0 114.559 167.267 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.68 -50.03 54.25 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 118.512 1.156 . . . . 0.0 113.884 174.554 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -78.52 59.36 2.4 Favored 'General case' 0 CA--C 1.553 1.069 0 CA-C-N 120.06 1.3 . . . . 0.0 114.022 -179.34 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 21.9 mmt180 -114.32 113.39 24.51 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 114.811 1.412 . . . . 0.0 114.811 -177.181 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -66.88 152.14 46.22 Favored 'General case' 0 CA--C 1.551 1.005 0 N-CA-C 115.854 1.798 . . . . 0.0 115.854 179.156 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -57.01 -23.77 48.73 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 118.194 2.665 . . . . 0.0 118.194 -160.811 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -69.27 -30.94 69.16 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 175.556 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -74.81 114.75 13.61 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 179.034 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.3 p -80.58 99.01 7.89 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-O 123.418 1.58 . . . . 0.0 109.109 168.872 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -64.13 -46.66 83.13 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 112.557 -2.111 . . . . 0.0 113.973 -157.532 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.9 pm0 -69.09 -29.76 67.92 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 113.985 1.106 . . . . 0.0 113.985 -178.961 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.4 mp0 -64.41 -53.27 51.06 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-O 122.696 1.236 . . . . 0.0 111.81 172.687 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.56 ' O ' HG13 ' A' ' 41' ' ' ILE . 52.1 mtt85 -62.02 -48.1 81.81 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 113.759 -1.564 . . . . 0.0 111.511 173.561 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.46 -5.69 46.33 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 122.557 2.435 . . . . 0.0 117.071 175.175 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.29 -41.04 86.1 Favored 'General case' 0 CA--C 1.546 0.818 0 O-C-N 119.597 -1.939 . . . . 0.0 112.236 151.887 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 -77.07 -17.5 58.7 Favored 'General case' 0 CA--C 1.556 1.183 0 N-CA-C 115.85 1.796 . . . . 0.0 115.85 172.011 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.56 HG13 ' O ' ' A' ' 37' ' ' ARG 0.32 62.5 mt -79.17 74.9 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 CA-C-O 126.871 3.224 . . . . 0.0 113.283 -179.858 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -95.96 37.87 1.21 Allowed 'General case' 0 CA--C 1.548 0.878 0 CA-C-N 109.308 -3.587 . . . . 0.0 114.053 -175.016 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 95.4 mt -74.53 -49.86 29.13 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.781 0 O-C-N 121.459 -0.776 . . . . 0.0 112.612 179.301 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -156.66 138.4 5.92 Favored Glycine 0 CA--C 1.544 1.874 0 CA-C-O 115.917 -2.602 . . . . 0.0 113.539 -179.825 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -50.55 -53.26 7.42 Favored 'Trans proline' 0 C--N 1.361 1.233 0 CA-C-N 124.184 3.992 . . . . 0.0 117.03 -178.209 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 39.5 mttm -63.13 -33.67 75.95 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 113.812 1.041 . . . . 0.0 113.812 172.8 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 3.6 t -64.26 -63.3 1.18 Allowed 'General case' 0 C--N 1.348 0.51 0 CA-C-O 115.461 -2.209 . . . . 0.0 108.064 176.122 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -49.23 -44.9 17.55 Favored 'Isoleucine or valine' 0 C--N 1.357 0.92 0 CA-C-N 122.359 2.345 . . . . 0.0 115.164 172.449 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -55.3 -61.78 2.11 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-N 121.284 1.856 . . . . 0.0 113.153 175.42 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.21 -51.05 63.39 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 123.946 0.898 . . . . 0.0 111.193 175.309 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.435 ' HD1' ' O ' ' A' ' 21' ' ' CYS . 62.5 t80 -58.89 -50.6 73.41 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 114.844 1.424 . . . . 0.0 114.844 178.555 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 20.1 pttp -66.26 -35.86 81.5 Favored 'General case' 0 CA--C 1.551 0.984 0 CA-C-N 119.958 1.253 . . . . 0.0 111.476 -178.929 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 48.4 m-20 -71.45 -40.77 70.13 Favored 'General case' 0 CA--C 1.547 0.864 0 O-C-N 121.463 -0.773 . . . . 0.0 111.666 178.679 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 4.6 m -63.71 -31.15 72.23 Favored 'General case' 0 CA--C 1.553 1.089 0 N-CA-C 114.82 1.415 . . . . 0.0 114.82 164.861 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 3.2 m -56.71 -41.27 77.14 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 122.098 2.227 . . . . 0.0 113.767 162.279 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -56.75 -44.97 82.26 Favored 'General case' 0 CA--C 1.549 0.922 0 CA-C-O 117.88 -1.057 . . . . 0.0 112.438 167.01 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 30.6 mm -56.86 -48.34 81.47 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 CA-C-N 120.757 1.617 . . . . 0.0 113.921 167.997 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.3 -48.67 71.04 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 173.442 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -65.85 -35.79 81.65 Favored 'General case' 0 CA--C 1.549 0.923 0 N-CA-C 113.714 1.005 . . . . 0.0 113.714 173.724 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -60.1 -46.38 89.8 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 119.481 1.037 . . . . 0.0 112.244 169.354 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 87.9 t -62.6 -39.25 83.9 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.858 0 CA-C-N 119.14 0.882 . . . . 0.0 112.913 172.878 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -60.23 -40.4 90.07 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 119.842 1.201 . . . . 0.0 113.543 170.834 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.4 -52.24 11.22 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 173.679 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -79.9 69.65 6.3 Favored 'General case' 0 CA--C 1.552 1.02 0 CA-C-O 123.751 1.739 . . . . 0.0 112.56 -176.102 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -104.56 -51.79 3.02 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 114.761 -1.109 . . . . 0.0 113.384 173.526 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . . . . . . . . 1 C--N 1.233 -4.469 0 CA-C-N 119.816 1.189 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.548 0.895 0 N-CA-C 114.781 1.4 . . . . 0.0 114.781 . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 65.4 mt -68.53 -18.58 64.39 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 124.686 1.194 . . . . 0.0 113.833 176.917 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 23.6 mp0 -53.95 -40.51 66.86 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.845 1.658 . . . . 0.0 112.434 173.356 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 58.5 tttm -55.18 -39.5 69.65 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.878 1.271 . . . . 0.0 112.692 173.866 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 15.6 mmtt -76.0 -36.75 59.05 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 115.071 1.508 . . . . 0.0 115.071 175.464 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.3 mp -58.24 -48.6 84.35 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.248 0 CA-C-N 120.987 1.721 . . . . 0.0 109.659 165.107 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.49 -51.85 68.13 Favored 'General case' 0 C--O 1.218 -0.572 0 CA-C-O 115.23 -2.319 . . . . 0.0 112.823 173.556 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -60.03 -37.94 81.25 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 125.888 3.949 . . . . 0.0 115.473 178.465 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -77.92 -55.48 5.27 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 122.239 2.291 . . . . 0.0 113.49 172.841 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.83 1.46 6.97 Favored 'General case' 0 CA--C 1.556 1.196 0 N-CA-C 118.212 2.671 . . . . 0.0 118.212 171.394 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.54 -46.19 13.69 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 124.689 3.404 . . . . 0.0 114.67 158.884 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.9 mtmp? -62.46 -43.54 98.57 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 114.937 1.458 . . . . 0.0 114.937 -171.75 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 64.6 -20.88 0.07 Allowed 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 116.874 2.175 . . . . 0.0 116.874 175.739 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -61.37 -39.68 91.54 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 120.891 1.678 . . . . 0.0 111.537 166.594 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -80.18 61.0 3.86 Favored 'General case' 0 CA--C 1.549 0.928 0 CA-C-O 123.225 1.488 . . . . 0.0 111.108 167.665 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.72 -45.17 95.28 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 113.304 -1.771 . . . . 0.0 114.702 -172.617 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 11.3 tpt -66.19 -30.02 70.4 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.015 0.926 . . . . 0.0 112.537 175.394 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 53.6 mt -84.62 -39.72 18.33 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.309 -0.869 . . . . 0.0 111.863 -177.243 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.4 tmtt? -60.08 -39.11 84.97 Favored 'General case' 0 CA--C 1.552 1.029 0 O-C-N 121.106 -0.996 . . . . 0.0 113.609 159.259 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -67.19 -28.15 67.86 Favored 'General case' 0 CA--C 1.552 1.038 0 O-C-N 119.29 -2.131 . . . . 0.0 111.856 170.431 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.7 t -64.04 -38.15 90.02 Favored 'General case' 0 CA--C 1.551 0.989 0 O-C-N 120.257 -1.527 . . . . 0.0 113.692 166.011 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -48.54 -54.69 13.45 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-N 118.982 0.81 . . . . 0.0 110.987 159.601 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.415 ' O ' ' HD2' ' A' ' 27' ' ' TYR 0.281 6.8 m-30 -73.44 -23.43 60.11 Favored 'General case' 0 CA--C 1.552 1.023 0 N-CA-C 114.343 1.238 . . . . 0.0 114.343 -174.601 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -58.35 -48.31 80.97 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.702 1.201 . . . . 0.0 111.422 159.687 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.81 -37.3 94.62 Favored Glycine 0 CA--C 1.534 1.234 0 N-CA-C 115.339 0.896 . . . . 0.0 115.339 171.737 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.59 -41.07 93.95 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 118.468 1.134 . . . . 0.0 112.975 170.228 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.415 ' HD2' ' O ' ' A' ' 23' ' ' TYR . 59.6 m-85 -72.65 72.45 1.03 Allowed 'General case' 0 CA--C 1.552 1.035 0 CA-C-O 123.348 1.547 . . . . 0.0 113.582 168.46 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.8 tpt85 -70.89 109.55 5.11 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 124.207 1.003 . . . . 0.0 111.077 168.791 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 12.4 p30 -136.29 -115.77 0.17 Allowed 'General case' 0 CA--C 1.551 0.999 0 O-C-N 120.212 -1.555 . . . . 0.0 113.884 -169.724 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -76.67 55.46 1.05 Allowed 'General case' 0 CA--C 1.549 0.923 0 CA-C-N 121.665 2.03 . . . . 0.0 113.195 -175.765 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -139.93 149.11 42.93 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.083 0.953 . . . . 0.0 113.343 -176.121 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -73.74 -57.66 3.83 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 122.883 0.473 . . . . 0.0 110.453 173.238 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 12.4 t -143.79 165.05 28.75 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-O 122.023 0.916 . . . . 0.0 113.215 179.973 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 75.1 m -58.41 -54.65 44.63 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.767 1.627 . . . . 0.0 114.292 -169.932 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -75.05 -6.63 50.48 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 114.11 1.152 . . . . 0.0 114.11 -178.058 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -78.59 -54.51 6.06 Favored 'General case' 0 CA--C 1.546 0.815 0 O-C-N 120.85 -1.156 . . . . 0.0 110.572 168.068 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.578 ' O ' HD12 ' A' ' 41' ' ' ILE . 18.5 ttp180 -64.64 -40.44 95.47 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-O 118.84 -0.6 . . . . 0.0 110.796 172.831 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . 0.268 . . -87.51 10.08 18.88 Favored 'General case' 0 CA--C 1.551 0.993 0 N-CA-C 116.568 2.062 . . . . 0.0 116.568 170.87 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.57 -39.09 74.12 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 119.162 -2.211 . . . . 0.0 111.883 142.871 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 63.9 mtt85 -70.16 -44.18 69.33 Favored 'General case' 0 CA--C 1.552 1.056 0 N-CA-C 114.087 1.143 . . . . 0.0 114.087 169.738 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.578 HD12 ' O ' ' A' ' 37' ' ' ARG 0.28 3.3 mp -68.75 86.48 0.16 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.959 0 CA-C-O 126.902 3.239 . . . . 0.0 113.268 167.417 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 29.2 mmtm -92.6 2.41 56.72 Favored 'General case' 0 CA--C 1.545 0.757 1 CA-C-N 107.218 -4.537 . . . . 0.0 116.528 -175.7 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 72.7 mt -64.07 -35.39 73.49 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.963 0 N-CA-C 114.58 1.326 . . . . 0.0 114.58 -163.671 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -177.48 168.67 40.44 Favored Glycine 0 CA--C 1.545 1.938 0 CA-C-N 120.609 1.55 . . . . 0.0 116.491 173.664 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -63.12 -45.97 11.27 Favored 'Trans proline' 0 C--N 1.359 1.1 0 C-N-CA 124.332 3.355 . . . . 0.0 115.414 179.904 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 52.4 mttt -64.2 -27.98 69.43 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 113.604 0.964 . . . . 0.0 113.604 169.654 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 8.6 t -65.22 -60.69 2.72 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-O 117.068 -1.444 . . . . 0.0 109.073 173.437 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -50.58 -41.18 20.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 CA-C-N 120.744 1.611 . . . . 0.0 115.193 171.904 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.27 -56.51 19.67 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 113.813 1.042 . . . . 0.0 113.813 173.924 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.27 -48.15 65.44 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 124.84 1.256 . . . . 0.0 110.743 171.866 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.531 ' CE2' HD13 ' A' ' 41' ' ' ILE . 3.9 t80 -54.48 -59.54 4.56 Favored 'General case' 0 C--N 1.351 0.668 0 C-N-CA 125.223 1.409 . . . . 0.0 112.042 175.776 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 20.7 mmmt -59.98 -39.92 87.38 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 114.165 1.172 . . . . 0.0 114.165 -178.664 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -68.04 -48.95 64.23 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 119.44 1.018 . . . . 0.0 113.054 177.546 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 2.4 m -60.26 -35.76 76.26 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 113.882 1.067 . . . . 0.0 113.882 169.429 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 5.1 t -66.03 -37.22 85.33 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 119.845 1.202 . . . . 0.0 113.356 173.692 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -61.12 -41.33 96.51 Favored 'General case' 0 CA--C 1.541 0.596 0 CA-C-N 120.035 1.288 . . . . 0.0 113.038 165.967 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 21.7 mm -61.22 -42.91 95.24 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.182 0 CA-C-N 120.529 1.513 . . . . 0.0 113.275 170.274 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.31 -48.75 76.07 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 123.929 0.892 . . . . 0.0 113.402 172.515 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 48.4 m-80 -66.79 -33.86 76.56 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 114.187 1.18 . . . . 0.0 114.187 172.684 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -62.21 -51.7 66.74 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 119.07 0.85 . . . . 0.0 112.371 170.778 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 4.5 p -67.78 -30.9 50.03 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.925 0 CA-C-N 119.767 1.167 . . . . 0.0 113.227 177.377 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 -58.08 -37.63 74.86 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.48 1.112 . . . . 0.0 112.84 170.144 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.14 -47.45 28.47 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 113.283 0.846 . . . . 0.0 113.283 169.985 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -64.79 -37.76 88.7 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 114.836 1.421 . . . . 0.0 114.836 179.257 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 66.87 -112.62 0.18 Allowed 'General case' 0 CA--C 1.553 1.061 0 C-N-CA 125.379 1.472 . . . . 0.0 114.958 174.737 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . . . . . . . . 1 C--N 1.233 -4.464 0 CA-C-N 121.15 1.795 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.428 ' H1 ' ' N ' ' A' ' 66' ' ' SER . 39.8 tpp . . . . . 0 CA--C 1.556 1.178 0 CA-C-O 122.481 1.134 . . . . 0.0 113.127 . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 89.7 mt -77.5 74.99 4.06 Favored 'General case' 0 CA--C 1.553 1.075 0 CA-C-O 123.928 1.823 . . . . 0.0 114.319 -177.723 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -55.22 -42.32 73.2 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 112.764 -2.016 . . . . 0.0 113.848 176.953 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -62.66 -32.24 73.25 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 114.206 1.188 . . . . 0.0 114.206 175.737 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 24.2 mmtt -75.83 -38.88 57.66 Favored 'General case' 0 C--O 1.244 0.814 0 N-CA-C 114.311 1.226 . . . . 0.0 114.311 174.544 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 13.0 mt -55.59 -52.37 48.16 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 165.981 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.463 ' O ' ' HB2' ' A' ' 11' ' ' ALA . 33.4 tt0 -61.57 -23.33 65.91 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-O 117.389 -1.291 . . . . 0.0 113.909 177.52 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -73.66 -43.35 59.68 Favored 'General case' 0 CA--C 1.548 0.885 0 CA-C-N 123.839 3.018 . . . . 0.0 113.845 170.85 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -83.26 -49.14 9.72 Favored 'General case' 0 N--CA 1.483 1.178 0 O-C-N 120.223 -1.548 . . . . 0.0 112.997 176.07 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.85 11.71 0.35 Allowed 'General case' 0 CA--C 1.556 1.178 0 N-CA-C 116.63 2.085 . . . . 0.0 116.63 161.667 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.463 ' HB2' ' O ' ' A' ' 7' ' ' GLU . . . -66.54 -39.3 88.49 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 118.111 -2.868 . . . . 0.0 112.577 148.536 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 48.1 mttp -79.32 57.72 2.4 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-O 122.586 1.184 . . . . 0.0 111.356 -170.019 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -68.89 -13.21 62.29 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 114.522 1.305 . . . . 0.0 114.522 176.868 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.6 mtpp -63.7 -39.64 94.81 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.951 0.9 . . . . 0.0 112.099 159.955 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -97.94 70.59 2.14 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-O 125.169 2.414 . . . . 0.0 110.109 178.259 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.95 -38.88 70.93 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 108.948 -3.751 . . . . 0.0 114.372 -174.118 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 64.4 mmm -65.34 -33.71 76.61 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.967 0.907 . . . . 0.0 112.877 175.02 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 58.6 mt -87.95 -44.9 10.68 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.248 0.619 . . . . 0.0 111.331 -172.813 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.75 -33.54 68.59 Favored 'General case' 0 CA--C 1.554 1.124 0 O-C-N 120.574 -1.329 . . . . 0.0 114.489 159.472 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . 0.25 0.1 OUTLIER -68.89 -27.68 66.01 Favored 'General case' 0 CA--C 1.549 0.905 0 CA-C-N 124.09 3.132 . . . . 0.0 111.614 170.535 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 87.5 m -60.76 -37.13 80.78 Favored 'General case' 0 CA--C 1.548 0.88 0 CA-C-N 121.308 1.867 . . . . 0.0 113.818 162.534 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -50.31 -49.17 54.53 Favored 'General case' 0 N--CA 1.482 1.158 0 CA-C-N 119.616 1.098 . . . . 0.0 112.089 160.782 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.402 ' O ' ' HD2' ' A' ' 27' ' ' TYR . 3.8 m-30 -74.18 -29.48 61.78 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 -176.883 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -58.27 -44.68 88.53 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 119.036 0.834 . . . . 0.0 112.524 161.238 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.54 -52.24 51.5 Favored Glycine 0 CA--C 1.531 1.065 0 C-N-CA 123.759 0.695 . . . . 0.0 114.218 171.742 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.4 -43.88 88.75 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 177.24 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.402 ' HD2' ' O ' ' A' ' 23' ' ' TYR . 72.0 m-85 -75.48 68.64 2.16 Favored 'General case' 0 CA--C 1.552 1.023 0 CA-C-N 120.177 1.353 . . . . 0.0 113.727 174.108 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -79.71 147.23 32.02 Favored 'General case' 0 CA--C 1.548 0.894 0 CA-C-N 115.097 -0.956 . . . . 0.0 113.578 174.782 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -132.25 -120.93 0.2 Allowed 'General case' 0 CA--C 1.555 1.154 0 O-C-N 120.97 -1.081 . . . . 0.0 111.748 -178.426 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -72.64 -2.25 19.35 Favored 'General case' 0 CA--C 1.549 0.916 0 O-C-N 119.217 -2.177 . . . . 0.0 116.383 -179.607 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -74.45 106.6 6.13 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-O 122.925 1.345 . . . . 0.0 113.297 -176.112 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -61.1 -36.37 79.51 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 114.216 -1.356 . . . . 0.0 113.622 174.093 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 46.8 p -118.22 138.42 52.35 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-O 121.959 0.885 . . . . 0.0 111.376 166.804 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 94.9 m -61.93 -35.83 79.59 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.423 1.089 . . . . 0.0 113.349 173.18 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.2 mp0 -67.26 -31.07 71.15 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 125.27 1.428 . . . . 0.0 114.334 -172.471 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -70.25 -44.87 67.6 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 121.795 2.088 . . . . 0.0 112.29 173.872 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.579 ' O ' HD12 ' A' ' 41' ' ' ILE . 36.3 ttp85 -58.19 -53.11 62.03 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 114.306 -1.315 . . . . 0.0 110.329 171.037 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -81.64 -1.93 48.43 Favored 'General case' 0 CA--C 1.55 0.96 0 N-CA-C 117.555 2.428 . . . . 0.0 117.555 176.647 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.22 -33.88 73.99 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 119.315 -2.116 . . . . 0.0 112.4 152.929 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 81.9 mtm180 -73.32 -36.27 66.19 Favored 'General case' 0 CA--C 1.552 1.026 0 N-CA-C 114.874 1.435 . . . . 0.0 114.874 166.667 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.59 HD13 ' CE2' ' A' ' 51' ' ' PHE 0.273 3.5 mp -76.02 86.28 0.73 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.867 0 CA-C-O 126.746 3.165 . . . . 0.0 113.503 167.881 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 61.0 mttm -91.17 4.73 51.49 Favored 'General case' 0 CA--C 1.547 0.833 1 CA-C-N 107.937 -4.21 . . . . 0.0 116.107 -174.82 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 79.9 mt -61.82 -40.73 88.04 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.884 0 N-CA-C 114.746 1.387 . . . . 0.0 114.746 -164.875 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -175.7 162.19 31.31 Favored Glycine 0 CA--C 1.545 1.928 0 CA-C-O 117.773 -1.571 . . . . 0.0 115.709 175.312 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_exo -52.38 -51.07 11.95 Favored 'Trans proline' 0 C--N 1.361 1.221 0 C-N-CA 125.266 3.978 . . . . 0.0 116.127 177.912 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 23.0 mmtt -68.26 -23.46 64.78 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 113.869 1.062 . . . . 0.0 113.869 173.5 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 39.5 t -67.29 -58.25 5.17 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-O 117.324 -1.322 . . . . 0.0 110.588 170.713 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -50.95 -40.01 19.95 Favored 'Isoleucine or valine' 0 C--N 1.351 0.663 0 CA-C-N 120.194 1.361 . . . . 0.0 114.447 169.968 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.27 -52.23 64.56 Favored 'General case' 0 CA--C 1.555 1.143 0 N-CA-C 115.564 1.69 . . . . 0.0 115.564 173.302 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.85 -45.37 78.45 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.704 1.202 . . . . 0.0 111.508 170.117 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.59 ' CE2' HD13 ' A' ' 41' ' ' ILE . 2.7 t80 -55.37 -58.03 9.41 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.604 1.162 . . . . 0.0 111.992 174.513 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 43.3 tptt -59.53 -41.18 89.43 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.402 1.081 . . . . 0.0 113.127 -178.325 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.446 ' O ' HD12 ' A' ' 57' ' ' ILE . 94.5 m-20 -66.17 -54.73 21.81 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.691 0.997 . . . . 0.0 113.691 174.465 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 12.3 m -60.31 -28.03 67.79 Favored 'General case' 0 CA--C 1.549 0.907 0 N-CA-C 114.917 1.451 . . . . 0.0 114.917 171.723 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.8 t -71.31 -34.44 70.61 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 120.831 1.65 . . . . 0.0 112.868 170.279 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -58.28 -41.14 83.7 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 120.292 1.406 . . . . 0.0 112.944 162.979 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.446 HD12 ' O ' ' A' ' 53' ' ' ASP . 2.8 mp -61.58 -47.65 92.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 CA-C-N 120.119 1.327 . . . . 0.0 113.379 167.815 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.0 -39.1 68.7 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 172.748 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -64.79 -41.25 95.98 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 169.903 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.443 ' HB3' ' N ' ' A' ' 66' ' ' SER . 38.9 mt-30 -64.56 -34.05 77.34 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 113.942 1.09 . . . . 0.0 113.942 170.967 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 86.8 t -64.95 -49.89 77.57 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.759 0 CA-C-N 119.182 0.901 . . . . 0.0 111.74 166.127 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -59.88 -38.55 82.51 Favored 'General case' 0 CA--C 1.548 0.898 0 CA-C-N 119.471 1.032 . . . . 0.0 113.737 176.334 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -89.89 13.81 13.66 Favored 'General case' 0 CA--C 1.555 1.151 0 N-CA-C 114.921 1.452 . . . . 0.0 114.921 169.843 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 48.67 55.68 8.73 Favored 'General case' 0 CA--C 1.554 1.115 0 C-N-CA 128.129 2.572 . . . . 0.0 116.205 173.273 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -148.43 -34.41 0.22 Allowed 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 116.151 1.908 . . . . 0.0 116.151 -176.927 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.443 ' N ' ' HB3' ' A' ' 60' ' ' GLN . . . . . . . . 1 C--N 1.234 -4.43 0 CA-C-N 121.248 1.84 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.2 tpt . . . . . 0 CA--C 1.546 0.809 0 N-CA-C 112.624 0.602 . . . . 0.0 112.624 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.508 ' O ' HD12 ' A' ' 6' ' ' ILE . 10.2 mp -58.16 -43.79 87.59 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.246 1.418 . . . . 0.0 112.228 173.73 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 22.9 mp0 -59.18 -43.22 92.18 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.982 1.713 . . . . 0.0 112.424 -179.886 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.1 tptp -65.8 -32.57 74.18 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.183 0.993 . . . . 0.0 112.129 176.961 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 49.5 tttm -71.25 -44.26 65.64 Favored 'General case' 0 CA--C 1.549 0.937 0 CA-C-O 117.947 -1.025 . . . . 0.0 113.372 176.214 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.508 HD12 ' O ' ' A' ' 2' ' ' LEU . 4.0 mp -57.49 -45.42 85.85 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.346 0 CA-C-N 120.598 1.545 . . . . 0.0 109.749 165.985 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -58.72 -54.5 46.39 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 115.99 -1.957 . . . . 0.0 112.179 175.483 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -64.07 -21.93 66.72 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 125.772 3.896 . . . . 0.0 114.738 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -79.23 -69.05 0.6 Allowed 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 119.982 1.264 . . . . 0.0 112.514 163.71 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.84 3.61 7.84 Favored 'General case' 0 CA--C 1.556 1.209 0 N-CA-C 119.396 3.109 . . . . 0.0 119.396 179.594 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.99 -50.93 8.56 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 117.444 -3.285 . . . . 0.0 111.859 156.698 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -83.07 68.02 9.36 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-O 123.294 1.521 . . . . 0.0 111.184 -174.326 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.7 m-30 -54.29 -3.9 0.05 OUTLIER 'General case' 0 CA--C 1.551 1.005 0 N-CA-C 117.03 2.234 . . . . 0.0 117.03 177.534 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -59.05 -31.88 69.25 Favored 'General case' 0 CA--C 1.546 0.79 0 O-C-N 120.821 -1.174 . . . . 0.0 112.288 157.086 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -80.04 58.09 2.85 Favored 'General case' 0 CA--C 1.549 0.933 0 CA-C-O 122.549 1.166 . . . . 0.0 111.312 172.046 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.51 -54.71 43.71 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 115.995 1.85 . . . . 0.0 115.995 -165.955 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 70.7 mmm -67.68 -27.04 66.51 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.769 0.828 . . . . 0.0 113.107 176.01 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 39.3 mt -81.96 -44.98 16.01 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.028 0.931 . . . . 0.0 111.335 -175.242 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -63.19 -31.15 72.22 Favored 'General case' 0 CA--C 1.545 0.784 0 O-C-N 121.428 -0.795 . . . . 0.0 112.087 164.266 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.2 tmtm? -63.71 -38.09 89.81 Favored 'General case' 0 CA--C 1.551 1.006 0 CA-C-N 121.208 1.822 . . . . 0.0 111.443 168.371 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 27.6 m -58.03 -39.56 78.7 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 122.267 2.303 . . . . 0.0 114.786 165.575 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -49.67 -51.96 34.46 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 119.214 0.916 . . . . 0.0 111.572 163.99 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.401 ' O ' ' HD2' ' A' ' 27' ' ' TYR 0.262 6.4 m-30 -74.78 -24.63 58.7 Favored 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 113.814 1.042 . . . . 0.0 113.814 -175.794 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -61.35 -37.33 82.95 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 113.564 0.95 . . . . 0.0 113.564 160.607 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.96 -42.07 69.96 Favored Glycine 0 CA--C 1.532 1.154 0 CA-C-O 119.357 -0.691 . . . . 0.0 114.718 170.312 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.96 -38.79 92.13 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 114.061 1.134 . . . . 0.0 114.061 175.305 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.401 ' HD2' ' O ' ' A' ' 23' ' ' TYR . 52.0 m-85 -72.96 67.95 0.88 Allowed 'General case' 0 CA--C 1.552 1.033 0 CA-C-O 123.383 1.563 . . . . 0.0 113.691 171.782 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 33.0 ttt-85 -146.46 133.41 20.22 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 114.007 -1.451 . . . . 0.0 112.188 174.966 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -140.06 -56.29 0.55 Allowed 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.07 168.439 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -64.72 -53.38 48.07 Favored 'General case' 0 CA--C 1.547 0.862 0 N-CA-C 116.802 2.149 . . . . 0.0 116.802 -175.248 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -79.47 126.3 30.68 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-O 122.359 1.076 . . . . 0.0 113.478 -172.479 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -58.51 -55.5 34.22 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 115.257 1.577 . . . . 0.0 115.257 -169.728 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 33.0 m -105.53 113.78 27.56 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 121.44 -0.787 . . . . 0.0 112.371 -168.85 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 91.5 m -57.63 -38.88 75.76 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 176.806 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 40.7 mp0 -67.21 -14.84 63.29 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 114.185 1.18 . . . . 0.0 114.185 -178.234 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -75.31 -59.32 2.8 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 121.29 1.859 . . . . 0.0 110.006 172.108 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.628 ' O ' HD12 ' A' ' 41' ' ' ILE . 2.9 ptp180 -59.34 -40.3 85.91 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-O 118.003 -0.998 . . . . 0.0 111.944 172.151 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -87.3 6.19 34.65 Favored 'General case' 0 CA--C 1.551 0.994 0 CA-C-N 122.154 2.252 . . . . 0.0 116.889 172.205 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.78 -31.73 63.44 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 119.083 -2.261 . . . . 0.0 112.084 146.4 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 87.2 mtt-85 -72.59 -44.62 61.79 Favored 'General case' 0 CA--C 1.553 1.073 0 N-CA-C 113.247 0.832 . . . . 0.0 113.247 168.643 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.628 HD12 ' O ' ' A' ' 37' ' ' ARG . 3.2 mp -69.62 86.78 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.926 0 CA-C-O 126.734 3.159 . . . . 0.0 113.504 167.613 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 58.0 mttp -97.0 9.98 40.52 Favored 'General case' 0 CA--C 1.547 0.833 1 CA-C-N 107.876 -4.238 . . . . 0.0 115.836 -178.661 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 76.6 mt -62.94 -37.87 80.43 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.962 0 CA-C-N 119.901 1.228 . . . . 0.0 114.156 -166.612 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -177.49 163.59 32.21 Favored Glycine 0 CA--C 1.545 1.968 0 CA-C-O 118.01 -1.439 . . . . 0.0 115.362 172.538 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_exo -53.53 -47.0 29.7 Favored 'Trans proline' 0 C--N 1.359 1.128 0 C-N-CA 124.97 3.78 . . . . 0.0 115.694 174.569 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 42.5 tttm -68.21 -30.03 69.01 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 124.195 0.998 . . . . 0.0 112.374 177.626 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.44 -55.29 18.79 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.487 1.115 . . . . 0.0 111.06 171.622 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . 0.293 0.0 OUTLIER -54.2 -36.11 31.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 N-CA-C 115.612 1.708 . . . . 0.0 115.612 169.263 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -60.86 -51.47 69.17 Favored 'General case' 0 CA--C 1.551 1.015 0 CA-C-N 120.755 1.616 . . . . 0.0 115.216 170.8 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.42 -50.51 62.4 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 124.36 1.064 . . . . 0.0 111.168 168.44 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.553 ' CE2' HD13 ' A' ' 41' ' ' ILE . 2.7 t80 -54.13 -53.53 51.99 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.924 1.29 . . . . 0.0 112.409 176.225 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 53.0 tptt -62.79 -40.9 98.75 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 113.603 0.964 . . . . 0.0 113.603 -178.078 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -73.28 -37.68 66.17 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 120.497 1.498 . . . . 0.0 114.925 175.463 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 9.0 m -63.45 -30.88 71.93 Favored 'General case' 0 CA--C 1.553 1.085 0 N-CA-C 114.344 1.239 . . . . 0.0 114.344 164.564 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 16.4 t -57.9 -42.94 85.73 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 120.894 1.679 . . . . 0.0 113.194 164.022 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -56.66 -44.42 81.33 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 119.712 1.142 . . . . 0.0 112.94 168.024 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 24.0 mm -60.35 -45.39 96.57 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 N-CA-C 113.968 1.099 . . . . 0.0 113.968 170.85 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.78 -45.62 82.01 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 113.664 0.986 . . . . 0.0 113.664 174.497 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 71.3 m-80 -65.85 -38.92 90.12 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 113.656 0.984 . . . . 0.0 113.656 171.612 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -60.19 -48.59 81.07 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-O 118.369 -0.824 . . . . 0.0 112.921 173.167 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 33.2 m -70.36 -28.47 35.4 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.777 0 CA-C-N 120.6 1.545 . . . . 0.0 114.282 175.112 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 57.4 ttt180 -65.57 -42.1 92.17 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 120.318 1.417 . . . . 0.0 113.079 166.142 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.08 -46.34 65.1 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 119.635 1.107 . . . . 0.0 113.796 171.819 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 64.09 -54.3 0.25 Allowed 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 126.823 2.049 . . . . 0.0 115.145 175.208 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.75 -41.35 7.71 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 114.169 1.174 . . . . 0.0 114.169 179.888 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . . . . . . . . 1 C--N 1.237 -4.324 0 CA-C-N 120.116 1.325 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.4 mmm . . . . . 0 CA--C 1.544 0.72 0 N-CA-C 112.98 0.733 . . . . 0.0 112.98 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 87.1 mt -125.46 129.47 49.87 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-O 123.023 1.392 . . . . 0.0 114.386 -170.503 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 51.5 tp60 -55.22 -40.8 71.23 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 113.436 -1.711 . . . . 0.0 112.268 170.973 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 60.7 tttm -54.27 -41.15 68.49 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.916 1.286 . . . . 0.0 112.799 170.005 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.1 -36.43 77.53 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 114.652 1.353 . . . . 0.0 114.652 175.721 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 5.3 mp -59.27 -51.36 73.49 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.181 0 CA-C-N 120.322 1.419 . . . . 0.0 109.938 166.05 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -60.95 -31.54 71.1 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-O 116.693 -1.623 . . . . 0.0 114.588 175.013 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 86.1 mt-10 -69.62 -36.51 76.21 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 123.533 2.879 . . . . 0.0 115.164 170.947 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -87.15 -46.27 9.91 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 120.544 1.52 . . . . 0.0 112.625 177.118 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.83 4.88 3.64 Favored 'General case' 0 CA--C 1.555 1.143 0 N-CA-C 116.254 1.946 . . . . 0.0 116.254 164.316 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.29 -40.2 71.02 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 118.315 -2.74 . . . . 0.0 112.539 149.457 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 48.8 mttp -77.6 62.9 2.61 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-O 122.835 1.302 . . . . 0.0 111.652 -174.052 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -66.5 -14.33 62.13 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 113.763 1.023 . . . . 0.0 113.763 170.928 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.0 tptp -64.38 -35.87 82.3 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 124.351 1.06 . . . . 0.0 112.902 160.214 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -98.19 68.78 1.96 Allowed 'General case' 0 CA--C 1.544 0.727 0 CA-C-O 125.254 2.455 . . . . 0.0 110.089 174.105 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.3 -40.7 74.75 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 108.916 -3.766 . . . . 0.0 114.289 -170.968 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 32.4 ttm -66.78 -32.47 73.78 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.217 1.007 . . . . 0.0 112.745 176.153 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 74.4 mt -86.86 -40.39 14.94 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 121.069 -1.019 . . . . 0.0 112.427 -174.45 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.68 -29.67 70.87 Favored 'General case' 0 CA--C 1.551 1.014 0 O-C-N 120.79 -1.194 . . . . 0.0 113.108 160.492 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.0 tmtm? -66.52 -34.19 77.37 Favored 'General case' 0 CA--C 1.549 0.937 0 CA-C-N 122.055 2.207 . . . . 0.0 111.508 167.538 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 98.5 m -53.94 -43.12 69.55 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 122.175 2.261 . . . . 0.0 113.774 163.44 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -49.25 -55.94 10.98 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 122.795 0.438 . . . . 0.0 111.337 163.648 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.414 ' O ' ' HD2' ' A' ' 27' ' ' TYR 0.265 5.3 m-30 -72.8 -22.29 60.85 Favored 'General case' 0 CA--C 1.552 1.035 0 N-CA-C 114.237 1.199 . . . . 0.0 114.237 -173.838 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -58.85 -48.64 80.65 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.145 0.978 . . . . 0.0 112.286 159.679 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.83 -42.32 96.52 Favored Glycine 0 CA--C 1.532 1.145 0 CA-C-O 119.428 -0.651 . . . . 0.0 114.655 172.354 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.81 -46.36 85.47 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 114.212 1.19 . . . . 0.0 114.212 175.237 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.414 ' HD2' ' O ' ' A' ' 23' ' ' TYR . 59.8 m-85 -73.95 66.65 1.19 Allowed 'General case' 0 CA--C 1.552 1.055 0 CA-C-N 120.511 1.505 . . . . 0.0 114.978 178.246 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -74.36 134.45 42.48 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-O 122.341 1.067 . . . . 0.0 113.578 170.717 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 17.9 p-10 -157.02 -59.33 0.09 Allowed 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 114.853 -1.067 . . . . 0.0 113.808 -166.317 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -74.04 -45.28 50.57 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 116.577 2.066 . . . . 0.0 116.577 -173.224 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -143.86 -177.42 5.42 Favored 'General case' 0 CA--C 1.55 0.977 0 CA-C-N 120.381 1.446 . . . . 0.0 112.129 -178.948 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -78.89 -43.15 25.55 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 116.132 1.901 . . . . 0.0 116.132 170.709 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 41.2 p -85.0 113.87 21.75 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 121.012 -1.055 . . . . 0.0 113.769 -167.743 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 81.1 m -64.19 -37.97 89.38 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 178.823 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.75 -5.17 39.05 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 114.47 1.285 . . . . 0.0 114.47 178.453 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -70.97 -59.84 2.56 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 121.202 1.819 . . . . 0.0 110.428 163.369 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.574 ' O ' HD12 ' A' ' 41' ' ' ILE . 33.1 mtm180 -54.83 -50.7 67.96 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 115.0 -1.0 . . . . 0.0 112.255 170.034 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . 0.283 . . -89.08 15.31 8.91 Favored 'General case' 0 CA--C 1.55 0.964 0 N-CA-C 116.079 1.881 . . . . 0.0 116.079 177.491 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.15 -43.12 62.02 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 119.586 -1.946 . . . . 0.0 112.021 140.069 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.8 mpp_? -70.42 -42.62 71.36 Favored 'General case' 0 CA--C 1.553 1.062 0 N-CA-C 114.545 1.313 . . . . 0.0 114.545 172.25 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.574 HD12 ' O ' ' A' ' 37' ' ' ARG . 3.3 mp -68.95 88.36 0.18 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.969 0 CA-C-O 126.875 3.226 . . . . 0.0 112.684 166.55 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 29.9 mmtm -95.61 7.29 46.7 Favored 'General case' 0 CA--C 1.544 0.745 1 CA-C-N 107.137 -4.574 . . . . 0.0 116.491 -176.158 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 73.6 mt -63.8 -39.28 84.81 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.906 0 N-CA-C 114.3 1.222 . . . . 0.0 114.3 -166.181 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 177.44 168.5 37.27 Favored Glycine 0 CA--C 1.545 1.965 0 CA-C-N 120.224 1.375 . . . . 0.0 116.465 173.058 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_exo -52.83 -46.8 31.12 Favored 'Trans proline' 0 C--N 1.361 1.191 0 C-N-CA 125.223 3.949 . . . . 0.0 115.964 174.928 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -66.01 -30.93 71.56 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.846 0.859 . . . . 0.0 112.242 175.701 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 43.3 t -65.93 -57.92 6.73 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-O 117.386 -1.292 . . . . 0.0 111.677 172.416 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -52.23 -38.13 24.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 CA-C-N 120.884 1.674 . . . . 0.0 115.106 170.967 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.15 -53.47 56.62 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 115.313 1.598 . . . . 0.0 115.313 170.892 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.21 -48.36 68.19 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 124.254 1.021 . . . . 0.0 111.017 169.929 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.536 ' CE2' HD13 ' A' ' 41' ' ' ILE . 3.0 t80 -55.21 -57.4 11.94 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.218 1.407 . . . . 0.0 112.3 176.49 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.433 ' O ' ' HD1' ' A' ' 56' ' ' TYR . 41.7 mttm -65.62 -34.7 78.84 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 115.489 1.662 . . . . 0.0 115.489 -179.551 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -69.93 -44.14 70.23 Favored 'General case' 0 CA--C 1.55 0.943 0 CA-C-N 121.486 1.948 . . . . 0.0 113.36 173.593 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 5.6 m -63.35 -31.63 72.84 Favored 'General case' 0 CA--C 1.552 1.026 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 167.453 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 51.9 t -57.03 -42.41 80.36 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 120.506 1.503 . . . . 0.0 112.683 164.374 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.433 ' HD1' ' O ' ' A' ' 52' ' ' LYS . 24.9 m-85 -59.15 -41.38 88.2 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 120.249 1.386 . . . . 0.0 113.777 169.534 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 27.2 mm -58.91 -48.74 85.45 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.256 0 CA-C-N 119.902 1.228 . . . . 0.0 113.804 167.959 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.1 -40.9 77.9 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 113.439 0.903 . . . . 0.0 113.439 173.622 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -61.92 -37.51 84.96 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.448 1.099 . . . . 0.0 113.408 172.707 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -64.64 -45.83 85.14 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 118.859 0.754 . . . . 0.0 112.665 168.533 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 90.4 t -64.26 -45.02 97.38 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.834 0 N-CA-C 113.805 1.039 . . . . 0.0 113.805 177.294 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 36.8 ptt180 -68.17 -20.5 64.88 Favored 'General case' 0 CA--C 1.548 0.895 0 CA-C-N 121.286 1.857 . . . . 0.0 114.374 175.245 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -85.16 -56.72 3.4 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 119.284 0.947 . . . . 0.0 112.674 166.794 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -91.67 65.67 5.13 Favored 'General case' 0 CA--C 1.547 0.836 0 O-C-N 120.409 -1.432 . . . . 0.0 111.548 -179.305 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -84.77 -36.44 21.72 Favored 'General case' 0 CA--C 1.55 0.955 0 N-CA-C 113.931 1.086 . . . . 0.0 113.931 177.479 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . . . . . . . . 1 C--N 1.237 -4.301 0 CA-C-N 119.927 1.24 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.7 mtm . . . . . 0 CA--C 1.545 0.752 0 N-CA-C 112.474 0.546 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 79.0 mt -126.95 135.29 50.69 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-O 123.766 1.746 . . . . 0.0 114.379 -174.546 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -59.85 -48.6 81.02 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 112.424 -2.171 . . . . 0.0 113.839 178.445 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -59.94 -31.54 69.95 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.223 1.009 . . . . 0.0 113.664 175.545 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 32.7 mmtm -76.05 -33.33 59.59 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 114.071 1.137 . . . . 0.0 114.071 176.743 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.2 mt -57.63 -53.03 49.92 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.367 0 CA-C-N 120.498 1.499 . . . . 0.0 109.325 163.039 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -58.87 -38.32 78.53 Favored 'General case' 0 C--N 1.347 0.492 0 CA-C-O 117.633 -1.175 . . . . 0.0 112.507 -179.179 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -60.71 -57.79 11.22 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 120.863 1.665 . . . . 0.0 115.343 168.1 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -71.77 -42.38 67.24 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 120.974 1.716 . . . . 0.0 113.912 -175.851 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.88 -4.97 31.2 Favored 'General case' 0 CA--C 1.555 1.16 0 N-CA-C 116.517 2.043 . . . . 0.0 116.517 162.443 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -80.09 -42.09 24.31 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 124.729 3.422 . . . . 0.0 113.073 152.798 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 52.1 mttp -69.51 59.04 0.13 Allowed 'General case' 0 CA--C 1.552 1.037 0 CA-C-O 122.827 1.299 . . . . 0.0 113.233 178.175 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -60.05 -12.88 9.21 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 126.192 1.797 . . . . 0.0 115.354 176.131 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -60.98 -36.89 80.62 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.242 1.017 . . . . 0.0 112.209 162.566 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 58.9 m-85 -92.75 67.16 4.47 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-O 124.395 2.045 . . . . 0.0 110.209 173.661 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.91 -43.18 81.14 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 110.819 -2.9 . . . . 0.0 114.213 -173.098 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 61.9 mtp -65.96 -29.91 70.38 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.132 0.973 . . . . 0.0 113.397 175.438 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 63.9 mt -87.09 -38.84 16.12 Favored 'General case' 0 CA--C 1.537 0.475 0 O-C-N 121.399 -0.813 . . . . 0.0 112.255 -175.269 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.81 -32.51 74.08 Favored 'General case' 0 CA--C 1.55 0.947 0 O-C-N 120.981 -1.074 . . . . 0.0 112.975 161.354 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.1 tptp -67.24 -28.76 68.32 Favored 'General case' 0 CA--C 1.553 1.084 0 CA-C-N 122.081 2.219 . . . . 0.0 112.345 168.827 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.2 t -63.26 -40.9 98.72 Favored 'General case' 0 CA--C 1.551 1.006 0 CA-C-N 119.983 1.265 . . . . 0.0 113.273 165.074 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.6 t -47.41 -56.95 5.91 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 118.812 0.733 . . . . 0.0 110.957 160.187 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.419 ' O ' ' HD2' ' A' ' 27' ' ' TYR 0.282 6.7 m-30 -72.1 -21.43 61.49 Favored 'General case' 0 CA--C 1.553 1.08 0 N-CA-C 114.213 1.19 . . . . 0.0 114.213 -173.972 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.2 t0 -61.74 -40.71 96.07 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.746 1.218 . . . . 0.0 112.586 161.21 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.5 -40.59 91.05 Favored Glycine 0 CA--C 1.537 1.412 0 CA-C-O 119.001 -0.888 . . . . 0.0 114.948 167.37 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.36 -42.32 96.27 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 114.914 1.45 . . . . 0.0 114.914 178.602 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.419 ' HD2' ' O ' ' A' ' 23' ' ' TYR . 59.7 m-85 -72.73 55.53 0.38 Allowed 'General case' 0 CA--C 1.555 1.137 0 CA-C-N 120.826 1.648 . . . . 0.0 114.869 176.891 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 20.4 mmm180 -143.09 166.64 24.11 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.777 1.231 . . . . 0.0 114.206 -179.118 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 26.6 t30 -147.8 -78.98 0.15 Allowed 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.635 177.92 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -73.19 66.19 0.86 Allowed 'General case' 0 CA--C 1.547 0.857 0 CA-C-O 123.275 1.512 . . . . 0.0 114.677 -173.658 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -89.14 119.66 29.84 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 114.459 -1.246 . . . . 0.0 112.001 174.804 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -66.32 -51.81 53.51 Favored 'General case' 0 CA--C 1.547 0.837 0 O-C-N 120.822 -1.174 . . . . 0.0 110.711 165.744 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 24.9 m -150.81 132.97 15.34 Favored 'General case' 0 CA--C 1.545 0.787 0 O-C-N 120.657 -1.277 . . . . 0.0 110.734 159.312 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 90.4 m -53.16 -34.17 55.73 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 115.042 1.497 . . . . 0.0 115.042 -175.615 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -66.4 -9.57 35.05 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 125.244 1.418 . . . . 0.0 113.727 177.043 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -72.05 -58.92 3.03 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 123.184 2.72 . . . . 0.0 110.686 168.7 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.577 ' O ' HD12 ' A' ' 41' ' ' ILE . 26.8 ttt180 -61.57 -44.02 97.8 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 112.742 -2.027 . . . . 0.0 110.143 176.057 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -92.33 19.34 7.19 Favored 'General case' 0 CA--C 1.553 1.094 0 N-CA-C 115.856 1.798 . . . . 0.0 115.856 172.127 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -75.78 -38.24 58.46 Favored 'General case' 0 N--CA 1.468 0.446 0 O-C-N 118.742 -2.474 . . . . 0.0 111.681 140.701 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -66.8 -49.05 67.09 Favored 'General case' 0 CA--C 1.551 1.003 0 N-CA-C 113.207 0.818 . . . . 0.0 113.207 169.621 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.577 HD12 ' O ' ' A' ' 37' ' ' ARG . 3.4 mp -77.29 82.13 0.79 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.806 0 CA-C-O 126.252 2.93 . . . . 0.0 113.047 169.846 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.0 tptt -118.76 40.28 3.3 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-N 108.413 -3.994 . . . . 0.0 112.523 177.635 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 73.5 mt -71.55 -40.14 71.16 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.807 0 C-N-CA 123.531 0.732 . . . . 0.0 111.993 -179.349 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -161.95 155.49 26.77 Favored Glycine 0 CA--C 1.545 1.954 0 CA-C-O 117.483 -1.731 . . . . 0.0 114.468 176.01 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_exo -52.21 -48.02 23.87 Favored 'Trans proline' 0 C--N 1.36 1.165 0 C-N-CA 124.985 3.79 . . . . 0.0 115.609 175.677 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -62.58 -32.97 74.05 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 113.453 0.909 . . . . 0.0 113.453 173.237 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 10.7 t -65.68 -60.31 3.03 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-O 117.385 -1.293 . . . . 0.0 109.457 175.337 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -50.9 -42.86 24.21 Favored 'Isoleucine or valine' 0 C--N 1.352 0.685 0 CA-C-N 120.488 1.495 . . . . 0.0 114.932 173.718 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.5 ttpp -61.5 -55.48 30.57 Favored 'General case' 0 CA--C 1.55 0.96 0 CA-C-O 117.825 -1.083 . . . . 0.0 113.335 174.748 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -50.43 -48.98 56.09 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-N 120.123 1.329 . . . . 0.0 111.079 170.832 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.539 ' CE2' HD13 ' A' ' 41' ' ' ILE . 7.2 t80 -53.73 -58.26 7.87 Favored 'General case' 0 C--N 1.349 0.554 0 C-N-CA 125.188 1.395 . . . . 0.0 112.257 176.251 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -66.11 -28.82 69.1 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 114.424 1.268 . . . . 0.0 114.424 -179.274 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -63.57 -53.34 53.21 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 120.28 1.4 . . . . 0.0 113.18 169.807 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 15.2 m -64.33 -35.15 79.93 Favored 'General case' 0 CA--C 1.553 1.094 0 N-CA-C 115.276 1.584 . . . . 0.0 115.276 171.467 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 8.3 t -65.51 -36.87 85.13 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 121.092 1.769 . . . . 0.0 112.767 172.653 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.415 ' O ' ' HG2' ' A' ' 60' ' ' GLN . 8.9 t80 -55.87 -48.43 75.57 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-O 117.875 -1.06 . . . . 0.0 112.228 164.175 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 26.8 mm -57.98 -47.42 86.64 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.167 0 CA-C-N 120.527 1.512 . . . . 0.0 114.881 170.428 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.48 -45.49 69.64 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 174.005 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 13.9 m-80 -72.15 -26.03 61.93 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 115.155 1.539 . . . . 0.0 115.155 172.792 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.415 ' HG2' ' O ' ' A' ' 56' ' ' TYR . 14.4 mm-40 -68.46 -40.84 80.9 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 121.302 1.865 . . . . 0.0 112.896 164.743 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 98.5 t -62.29 -39.07 82.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 CA-C-N 119.731 1.15 . . . . 0.0 112.851 172.705 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -54.96 -41.5 71.21 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 124.76 1.224 . . . . 0.0 114.06 168.935 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -77.68 -48.63 16.3 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 172.552 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 63.15 -57.3 0.17 Allowed 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 126.903 2.081 . . . . 0.0 115.388 177.169 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.35 140.76 47.57 Favored 'General case' 0 CA--C 1.549 0.927 0 O-C-N 120.565 -1.334 . . . . 0.0 113.722 -178.162 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . . . . . . . . 1 C--N 1.229 -4.66 0 O-C-N 122.039 -0.413 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.7 mtm . . . . . 0 CA--C 1.549 0.92 0 N-CA-C 113.668 0.988 . . . . 0.0 113.668 . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 76.6 mt -64.19 -47.69 78.79 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 113.819 1.044 . . . . 0.0 113.819 -179.996 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -56.19 -39.75 72.9 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.674 1.19 . . . . 0.0 113.639 -178.69 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 24.3 ttpp -60.09 -38.03 81.69 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.623 1.169 . . . . 0.0 112.6 172.62 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 18.0 ttpp -76.5 -35.36 58.39 Favored 'General case' 0 CA--C 1.552 1.051 0 C-N-CA 124.269 1.028 . . . . 0.0 113.173 179.15 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.2 mp -54.72 -50.75 57.87 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.267 0 CA-C-N 120.167 1.349 . . . . 0.0 110.008 163.174 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 41.1 mm-40 -60.07 -47.7 84.8 Favored 'General case' 0 C--O 1.217 -0.644 0 CA-C-O 115.834 -2.031 . . . . 0.0 112.084 174.166 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -64.6 -17.97 64.47 Favored 'General case' 0 CA--C 1.553 1.071 1 CA-C-N 126.176 4.08 . . . . 0.0 115.576 177.743 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -86.25 -48.16 8.78 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 121.005 1.729 . . . . 0.0 114.515 161.667 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.576 ' O ' ' HD1' ' A' ' 13' ' ' TYR . . . -63.69 -63.77 1.08 Allowed 'General case' 0 N--CA 1.478 0.965 0 CA-C-O 115.704 -2.093 . . . . 0.0 115.797 168.194 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -50.34 -24.46 3.0 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 124.26 3.209 . . . . 0.0 118.071 -165.224 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 59.3 mttp -62.42 -36.62 82.95 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 123.859 0.864 . . . . 0.0 112.616 169.327 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.576 ' HD1' ' O ' ' A' ' 10' ' ' ALA 0.295 1.6 m-85 53.5 -29.96 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 118.925 2.935 . . . . 0.0 118.925 178.721 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -62.44 -33.92 75.76 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.612 1.565 . . . . 0.0 112.835 168.783 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 62.4 m-85 -76.28 65.77 2.27 Favored 'General case' 0 CA--C 1.548 0.886 0 CA-C-O 124.058 1.885 . . . . 0.0 112.076 169.064 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.43 -50.66 73.07 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 111.118 -2.765 . . . . 0.0 115.495 -167.079 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 4.2 mpp? -63.66 -31.76 73.03 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.154 0.982 . . . . 0.0 113.102 178.773 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 37.8 mt -83.08 -47.44 11.66 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.065 0.946 . . . . 0.0 110.962 -173.666 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.7 tmmm? -52.94 -42.03 65.04 Favored 'General case' 0 CA--C 1.55 0.944 0 N-CA-C 114.441 1.274 . . . . 0.0 114.441 159.301 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.25 -32.35 73.73 Favored 'General case' 0 CA--C 1.549 0.933 0 CA-C-N 121.11 1.777 . . . . 0.0 112.187 169.958 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 18.2 m -60.73 -38.17 84.23 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 122.68 2.491 . . . . 0.0 114.699 163.18 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -50.49 -55.9 13.94 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 120.295 1.407 . . . . 0.0 110.803 164.362 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.261 6.4 m-30 -72.35 -25.33 61.49 Favored 'General case' 0 CA--C 1.554 1.098 0 N-CA-C 113.675 0.991 . . . . 0.0 113.675 -173.982 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.28 -34.9 78.69 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.144 1.378 . . . . 0.0 113.456 164.155 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -78.07 -32.62 43.56 Favored Glycine 0 CA--C 1.534 1.269 0 CA-C-O 118.97 -0.905 . . . . 0.0 115.15 168.679 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.33 -46.46 80.17 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 119.028 1.414 . . . . 0.0 113.807 174.78 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -74.91 40.19 0.14 Allowed 'General case' 0 CA--C 1.555 1.149 0 N-CA-C 115.515 1.672 . . . . 0.0 115.515 178.388 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 34.4 mmt180 -117.22 72.43 0.83 Allowed 'General case' 0 CA--C 1.546 0.819 0 O-C-N 119.685 -1.885 . . . . 0.0 112.796 -175.3 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 23.2 m120 -84.05 -56.44 3.67 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 115.307 -0.86 . . . . 0.0 112.932 175.384 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -68.16 -33.43 74.45 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 114.429 1.27 . . . . 0.0 114.429 176.299 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -77.84 84.68 4.14 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 113.466 0.913 . . . . 0.0 113.466 -179.22 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.48 -49.79 66.71 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 116.812 2.153 . . . . 0.0 116.812 -174.46 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 90.2 m -109.01 99.58 8.89 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 121.228 1.831 . . . . 0.0 109.376 -178.13 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 77.5 m -59.19 -40.35 85.42 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 114.948 1.462 . . . . 0.0 114.948 -174.796 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -66.49 -16.77 64.38 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 114.612 1.338 . . . . 0.0 114.612 -177.683 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -69.16 -50.56 46.58 Favored 'General case' 0 CA--C 1.55 0.971 0 CA-C-O 122.566 1.174 . . . . 0.0 110.829 166.881 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.609 ' O ' HD12 ' A' ' 41' ' ' ILE . 8.6 mpt_? -66.09 -44.35 84.67 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 114.579 -1.191 . . . . 0.0 110.128 177.92 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . 0.258 . . -85.75 5.35 32.72 Favored 'General case' 0 CA--C 1.551 0.995 0 N-CA-C 116.231 1.937 . . . . 0.0 116.231 173.775 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.51 -32.48 64.28 Favored 'General case' 0 CA--C 1.543 0.705 0 O-C-N 119.429 -2.044 . . . . 0.0 112.519 145.382 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 70.9 mtt85 -73.81 -44.63 55.25 Favored 'General case' 0 CA--C 1.553 1.076 0 O-C-N 120.787 -1.195 . . . . 0.0 113.406 166.706 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.609 HD12 ' O ' ' A' ' 37' ' ' ARG 0.257 3.2 mp -68.96 84.93 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.551 1.002 0 CA-C-O 126.806 3.193 . . . . 0.0 113.122 167.363 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 55.1 mttp -94.83 11.07 32.88 Favored 'General case' 0 CA--C 1.545 0.781 1 CA-C-N 107.87 -4.241 . . . . 0.0 115.857 -176.877 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 46.3 mm -63.35 -34.99 70.45 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.905 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 -167.77 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -177.36 161.73 29.33 Favored Glycine 0 CA--C 1.546 1.987 0 CA-C-O 118.103 -1.387 . . . . 0.0 115.234 171.86 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_exo -52.65 -47.17 28.63 Favored 'Trans proline' 0 C--N 1.36 1.146 0 C-N-CA 124.976 3.784 . . . . 0.0 115.423 174.239 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -68.74 -24.68 64.48 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 123.68 0.792 . . . . 0.0 112.469 174.879 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.5 -56.52 7.14 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.67 172.296 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -50.94 -42.11 23.14 Favored 'Isoleucine or valine' 0 C--N 1.352 0.689 0 CA-C-N 120.227 1.376 . . . . 0.0 114.605 169.762 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.27 -52.18 66.68 Favored 'General case' 0 CA--C 1.55 0.945 0 N-CA-C 114.961 1.467 . . . . 0.0 114.961 172.895 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.57 -47.54 79.29 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.368 1.067 . . . . 0.0 110.884 171.345 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.556 ' CE2' HD13 ' A' ' 41' ' ' ILE . 2.8 t80 -54.68 -55.07 33.62 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.05 1.34 . . . . 0.0 112.441 176.712 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 25.5 ttpt -64.83 -38.56 91.39 Favored 'General case' 0 CA--C 1.55 0.944 0 N-CA-C 113.985 1.105 . . . . 0.0 113.985 -179.845 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.63 -50.37 72.82 Favored 'General case' 0 CA--C 1.551 0.984 0 CA-C-N 120.417 1.462 . . . . 0.0 113.902 172.379 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 10.9 m -64.73 -27.76 69.13 Favored 'General case' 0 CA--C 1.551 1.017 0 N-CA-C 114.438 1.273 . . . . 0.0 114.438 171.358 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 52.1 t -61.36 -38.79 88.23 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 121.194 1.815 . . . . 0.0 113.276 164.323 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -57.59 -42.89 84.06 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 119.943 1.247 . . . . 0.0 112.866 166.616 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 24.5 mm -60.6 -46.46 95.62 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 N-CA-C 114.079 1.14 . . . . 0.0 114.079 168.084 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.15 -42.97 77.82 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 113.225 0.824 . . . . 0.0 113.225 173.668 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -66.42 -32.7 74.23 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 114.867 1.432 . . . . 0.0 114.867 171.375 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -62.7 -43.42 98.85 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 120.068 1.304 . . . . 0.0 112.93 164.195 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 97.4 t -62.42 -33.9 61.72 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.936 0 CA-C-N 120.036 1.289 . . . . 0.0 112.961 172.914 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -61.83 -47.23 86.01 Favored 'General case' 0 CA--C 1.546 0.802 0 O-C-N 120.666 -1.271 . . . . 0.0 113.339 167.467 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.34 -51.45 10.09 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 114.726 1.38 . . . . 0.0 114.726 179.739 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -84.63 62.12 7.14 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-O 123.187 1.47 . . . . 0.0 111.3 -176.859 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -127.65 126.56 42.2 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 115.334 -0.848 . . . . 0.0 113.225 -173.531 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . . . . . . . . 1 C--N 1.23 -4.622 0 CA-C-N 118.031 0.378 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.7 mtp . . . . . 0 CA--C 1.545 0.766 0 N-CA-C 112.948 0.722 . . . . 0.0 112.948 . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 83.9 mt -112.39 120.91 43.29 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-O 123.7 1.714 . . . . 0.0 113.493 -174.459 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 73.1 tp60 -56.2 -48.78 75.75 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 112.446 -2.161 . . . . 0.0 113.204 175.103 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 57.9 tttp -53.8 -38.79 64.91 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.787 1.635 . . . . 0.0 113.643 172.306 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -82.43 -23.52 34.79 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 115.781 1.771 . . . . 0.0 115.781 179.333 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.7 mt -57.64 -53.09 49.17 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.315 0 CA-C-N 122.154 2.252 . . . . 0.0 108.114 159.817 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -59.32 -44.38 92.58 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 116.832 -1.556 . . . . 0.0 112.742 -179.697 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -71.61 -33.35 68.92 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 123.0 2.637 . . . . 0.0 116.24 173.861 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.61 -57.15 3.97 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 123.884 3.038 . . . . 0.0 112.852 172.43 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.92 3.21 2.78 Favored 'General case' 0 CA--C 1.556 1.202 0 N-CA-C 117.226 2.306 . . . . 0.0 117.226 170.817 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -79.24 -41.97 27.01 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 124.28 3.218 . . . . 0.0 114.374 154.528 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 35.6 mtmm -63.55 -45.29 91.2 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 114.714 1.376 . . . . 0.0 114.714 -167.994 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 62.24 -29.6 0.07 Allowed 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 117.056 2.243 . . . . 0.0 117.056 173.013 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -61.08 -39.37 89.63 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.259 1.423 . . . . 0.0 111.921 164.902 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -78.85 66.63 4.37 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-O 124.481 2.086 . . . . 0.0 111.741 167.092 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.88 -47.75 83.83 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 110.319 -3.128 . . . . 0.0 114.597 -170.484 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 34.5 ttm -64.53 -32.24 73.8 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.219 1.008 . . . . 0.0 112.786 177.917 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 79.1 mt -83.55 -43.45 15.7 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 123.38 0.672 . . . . 0.0 112.549 -175.531 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.91 -29.74 70.22 Favored 'General case' 0 CA--C 1.551 0.981 0 CA-C-N 119.495 1.043 . . . . 0.0 113.192 163.11 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -67.97 -30.83 70.21 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-N 122.672 2.487 . . . . 0.0 111.501 168.642 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 7.0 t -63.77 -37.92 89.16 Favored 'General case' 0 CA--C 1.552 1.033 0 CA-C-N 120.656 1.571 . . . . 0.0 113.512 166.525 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.1 t -48.07 -56.98 6.45 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.19 0.596 . . . . 0.0 110.908 158.78 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.268 5.8 m-30 -72.67 -21.33 61.09 Favored 'General case' 0 CA--C 1.554 1.103 0 N-CA-C 114.396 1.258 . . . . 0.0 114.396 -174.207 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -61.38 -38.24 86.32 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.159 1.384 . . . . 0.0 112.913 160.412 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.84 -34.34 62.44 Favored Glycine 0 CA--C 1.535 1.298 0 CA-C-O 118.726 -1.041 . . . . 0.0 115.619 167.175 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.85 -47.76 65.15 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 119.725 1.763 . . . . 0.0 114.386 175.421 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -75.92 55.04 0.87 Allowed 'General case' 0 CA--C 1.553 1.077 0 CA-C-N 120.515 1.507 . . . . 0.0 114.286 -179.992 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 27.4 mmt180 -123.43 156.66 35.07 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 124.325 1.05 . . . . 0.0 113.025 -177.774 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -155.46 -76.57 0.1 Allowed 'General case' 0 CA--C 1.544 0.728 0 O-C-N 121.639 -0.663 . . . . 0.0 112.091 -169.626 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -73.22 45.06 0.15 Allowed 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 125.415 1.486 . . . . 0.0 114.105 -178.179 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -115.5 104.72 12.02 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 121.002 -1.061 . . . . 0.0 112.492 -169.03 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -63.65 -36.26 83.24 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 113.867 1.062 . . . . 0.0 113.867 176.686 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 94.8 m -152.16 121.91 6.97 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 120.312 -1.492 . . . . 0.0 111.105 176.903 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 94.9 m -58.13 -43.51 87.32 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.03 1.332 . . . . 0.0 114.166 -178.884 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 25.4 mp0 -65.71 -26.83 67.93 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.772 1.229 . . . . 0.0 114.17 -178.232 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -70.9 -51.3 26.97 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 120.422 1.464 . . . . 0.0 110.28 173.568 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.585 ' O ' HD12 ' A' ' 41' ' ' ILE . 43.5 mmm-85 -57.7 -48.25 80.1 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 115.228 -0.897 . . . . 0.0 111.047 174.114 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -80.48 -4.96 55.82 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 116.906 2.187 . . . . 0.0 116.906 175.107 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.89 -33.12 74.9 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 119.191 -2.193 . . . . 0.0 112.339 152.079 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 25.8 mmt180 -73.66 -38.77 64.85 Favored 'General case' 0 CA--C 1.553 1.065 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 168.667 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.585 HD12 ' O ' ' A' ' 37' ' ' ARG 0.313 3.4 mp -72.46 81.86 0.36 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.947 0 CA-C-O 127.598 3.571 . . . . 0.0 112.986 167.278 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.6 4.72 42.69 Favored 'General case' 0 CA--C 1.542 0.648 1 CA-C-N 106.662 -4.79 . . . . 0.0 116.814 -170.72 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 67.4 mt -65.8 -47.7 84.79 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.826 0 N-CA-C 114.283 1.216 . . . . 0.0 114.283 -165.105 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -167.94 158.24 30.94 Favored Glycine 0 CA--C 1.544 1.9 0 CA-C-O 117.375 -1.792 . . . . 0.0 115.828 178.491 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -52.08 -50.5 13.8 Favored 'Trans proline' 0 C--N 1.361 1.217 0 C-N-CA 125.279 3.986 . . . . 0.0 116.113 179.817 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.3 -29.99 71.21 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 113.463 0.912 . . . . 0.0 113.463 174.389 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 42.9 t -67.5 -61.63 1.81 Allowed 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 117.342 -1.313 . . . . 0.0 109.767 173.847 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -48.87 -36.88 8.44 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.683 0 CA-C-N 120.906 1.685 . . . . 0.0 115.295 172.51 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.6 ttpp -66.45 -58.72 4.66 Favored 'General case' 0 CA--C 1.554 1.111 0 CA-C-O 117.797 -1.097 . . . . 0.0 113.942 171.733 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -48.87 -43.45 38.93 Favored 'General case' 0 N--CA 1.482 1.153 0 CA-C-N 120.357 1.435 . . . . 0.0 111.281 171.873 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.557 ' CE2' HD13 ' A' ' 41' ' ' ILE . 3.5 t80 -55.86 -58.53 7.48 Favored 'General case' 0 C--N 1.349 0.544 0 CA-C-O 117.35 -1.309 . . . . 0.0 112.185 173.52 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 31.3 mttp -60.72 -31.97 71.25 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 120.994 1.724 . . . . 0.0 113.953 179.818 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -67.3 -52.86 35.35 Favored 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 113.552 0.945 . . . . 0.0 113.552 175.241 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 20.0 m -66.02 -28.02 68.55 Favored 'General case' 0 CA--C 1.55 0.958 0 N-CA-C 114.677 1.362 . . . . 0.0 114.677 169.411 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.9 t -69.97 -31.68 69.53 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 121.379 1.9 . . . . 0.0 112.79 170.637 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.442 ' O ' ' HG2' ' A' ' 60' ' ' GLN . 1.0 OUTLIER -55.14 -49.61 71.35 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-O 117.963 -1.018 . . . . 0.0 111.553 160.511 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 27.7 mm -55.44 -48.25 77.32 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.233 0 CA-C-N 120.235 1.379 . . . . 0.0 114.459 168.33 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.05 -51.07 65.22 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 114.056 1.132 . . . . 0.0 114.056 177.555 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 17.9 p30 -66.72 -34.55 78.09 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 120.288 1.403 . . . . 0.0 114.074 175.348 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.442 ' HG2' ' O ' ' A' ' 56' ' ' TYR . 48.3 mm-40 -67.15 -49.39 64.94 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 119.937 1.244 . . . . 0.0 112.774 171.774 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.1 p -66.48 -31.8 55.2 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.797 0 CA-C-N 120.574 1.534 . . . . 0.0 113.071 179.223 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.7 -41.24 94.78 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 119.517 1.053 . . . . 0.0 113.677 168.542 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.2 -29.35 63.89 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 114.293 1.22 . . . . 0.0 114.293 173.724 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -75.51 -28.41 59.13 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 115.094 1.516 . . . . 0.0 115.094 175.082 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -85.35 -29.29 24.6 Favored 'General case' 0 CA--C 1.55 0.98 0 N-CA-C 115.675 1.731 . . . . 0.0 115.675 -179.534 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . . . . . . . . 1 C--N 1.233 -4.458 0 CA-C-N 120.633 1.56 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.2 mtp . . . . . 0 CA--C 1.543 0.698 0 N-CA-C 113.416 0.895 . . . . 0.0 113.416 . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 51.8 mt -133.35 129.92 38.12 Favored 'General case' 0 CA--C 1.549 0.926 0 CA-C-O 124.1 1.905 . . . . 0.0 115.817 -171.108 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 19.7 mp0 -54.41 -39.47 67.34 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 111.841 -2.436 . . . . 0.0 113.302 172.12 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 50.0 tptt -61.12 -35.29 76.65 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.52 1.128 . . . . 0.0 113.138 173.885 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 36.0 mmtm -76.44 -36.07 58.15 Favored 'General case' 0 CA--C 1.545 0.771 0 O-C-N 121.158 -0.964 . . . . 0.0 113.201 178.352 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.5 mp -56.42 -49.13 78.52 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.39 0 CA-C-N 119.831 1.196 . . . . 0.0 109.889 163.943 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -55.93 -54.96 38.37 Favored 'General case' 0 C--N 1.347 0.488 0 CA-C-O 116.451 -1.738 . . . . 0.0 111.557 174.558 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -59.86 -28.96 67.97 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-N 123.454 2.843 . . . . 0.0 116.146 -179.324 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -86.1 -54.3 4.56 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 122.528 2.422 . . . . 0.0 114.059 167.547 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.05 1.58 4.47 Favored 'General case' 0 CA--C 1.555 1.166 0 N-CA-C 117.007 2.225 . . . . 0.0 117.007 173.071 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.6 -33.92 47.1 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 118.445 -2.66 . . . . 0.0 114.298 156.625 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 55.3 mttp -68.34 -49.92 56.9 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 114.009 1.114 . . . . 0.0 114.009 -170.318 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 61.37 -28.4 0.06 Allowed 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 116.914 2.19 . . . . 0.0 116.914 175.942 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 39.9 ttpt -59.96 -43.48 95.04 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.549 1.54 . . . . 0.0 111.553 162.673 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -77.31 66.06 3.0 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-O 124.299 2.0 . . . . 0.0 111.979 166.945 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.44 -48.29 82.22 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 110.793 -2.912 . . . . 0.0 114.694 -170.506 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 28.2 ttp -65.93 -28.79 69.18 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.953 0.901 . . . . 0.0 112.622 178.418 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 65.3 mt -87.33 -42.51 12.83 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 121.532 -0.73 . . . . 0.0 112.372 -174.621 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.93 -31.91 72.27 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-N 119.907 1.231 . . . . 0.0 112.98 160.344 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.9 tmtm? -68.83 -32.98 73.06 Favored 'General case' 0 CA--C 1.552 1.025 0 O-C-N 119.384 -2.073 . . . . 0.0 111.866 171.553 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.9 t -58.58 -41.34 85.51 Favored 'General case' 0 CA--C 1.551 1.004 0 CA-C-N 119.619 1.099 . . . . 0.0 112.612 165.275 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -47.39 -54.76 10.41 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-N 118.874 0.761 . . . . 0.0 111.565 160.655 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.276 5.2 m-30 -70.84 -27.36 63.8 Favored 'General case' 0 CA--C 1.552 1.044 0 N-CA-C 113.992 1.108 . . . . 0.0 113.992 -174.385 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -61.09 -34.69 75.32 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 115.034 1.494 . . . . 0.0 115.034 159.807 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.99 -36.64 86.53 Favored Glycine 0 CA--C 1.535 1.299 0 CA-C-N 119.158 0.89 . . . . 0.0 113.84 167.48 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.25 -54.72 13.29 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 114.546 1.313 . . . . 0.0 114.546 177.113 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . 0.265 2.0 p90 -80.81 45.43 0.81 Allowed 'General case' 0 CA--C 1.554 1.116 0 CA-C-N 122.799 2.545 . . . . 0.0 114.358 179.721 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 58.1 ttt85 -116.68 128.17 55.1 Favored 'General case' 0 CA--C 1.545 0.78 0 O-C-N 120.118 -1.614 . . . . 0.0 113.671 -169.43 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -100.34 76.8 1.9 Allowed 'General case' 0 CA--C 1.54 0.564 0 CA-C-O 123.437 1.589 . . . . 0.0 112.893 168.882 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -72.8 -42.96 63.35 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 112.976 -1.92 . . . . 0.0 112.503 173.089 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . 0.27 61.3 m-20 63.48 -40.62 0.2 Allowed 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 116.661 2.097 . . . . 0.0 116.661 179.689 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -74.25 -167.48 0.53 Allowed 'General case' 0 CA--C 1.559 1.299 0 CA-C-N 119.518 1.053 . . . . 0.0 113.504 160.336 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 27.1 m -73.21 104.47 4.27 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 119.584 -1.948 . . . . 0.0 112.41 -176.114 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.76 -45.1 93.29 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.009 1.324 . . . . 0.0 113.859 -171.887 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -68.92 -22.88 64.13 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 114.422 1.267 . . . . 0.0 114.422 179.301 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -73.95 -47.0 40.62 Favored 'General case' 0 CA--C 1.546 0.807 0 O-C-N 121.254 -0.904 . . . . 0.0 110.808 172.203 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.526 ' O ' HG13 ' A' ' 41' ' ' ILE . 24.5 mmt180 -57.86 -51.67 68.65 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.995 169.294 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -81.18 16.48 1.55 Allowed 'General case' 0 CA--C 1.55 0.952 0 N-CA-C 115.665 1.728 . . . . 0.0 115.665 170.995 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -78.54 -48.34 15.44 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 118.21 -2.806 . . . . 0.0 112.56 141.274 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.52 HH21 ' NE ' ' A' ' 37' ' ' ARG . 22.5 ptt-85 -80.32 -4.3 52.89 Favored 'General case' 0 CA--C 1.556 1.186 0 N-CA-C 116.818 2.155 . . . . 0.0 116.818 178.636 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.526 HG13 ' O ' ' A' ' 37' ' ' ARG 0.339 60.0 mt -71.79 83.85 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.968 0 CA-C-O 127.417 3.484 . . . . 0.0 112.803 170.957 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.38 14.09 1.05 Allowed 'General case' 0 CA--C 1.55 0.967 1 CA-C-N 108.188 -4.096 . . . . 0.0 117.043 -170.114 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 17.1 tt -68.64 -37.65 77.91 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.998 0 N-CA-C 114.867 1.432 . . . . 0.0 114.867 -172.693 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -179.94 136.13 2.66 Favored Glycine 0 CA--C 1.544 1.866 0 CA-C-O 115.644 -2.754 . . . . 0.0 114.05 177.105 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_exo -48.96 -55.37 4.21 Favored 'Trans proline' 0 C--N 1.362 1.243 2 C-N-CA 125.712 4.275 . . . . 0.0 118.047 -172.251 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -66.63 -30.95 71.35 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 113.389 0.885 . . . . 0.0 113.389 176.414 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 2.0 t -66.86 -60.71 2.42 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-O 115.702 -2.094 . . . . 0.0 108.222 175.742 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -47.97 -42.74 10.35 Favored 'Isoleucine or valine' 0 C--N 1.358 0.973 0 CA-C-N 122.55 2.432 . . . . 0.0 115.337 168.67 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 52.4 tttt -52.97 -61.5 2.26 Favored 'General case' 0 CA--C 1.554 1.115 0 CA-C-N 122.053 2.206 . . . . 0.0 113.378 173.948 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.33 -52.56 63.07 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 123.907 0.883 . . . . 0.0 111.653 175.792 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.424 ' HE2' HD12 ' A' ' 41' ' ' ILE . 71.7 t80 -58.89 -45.94 89.05 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.801 1.24 . . . . 0.0 114.002 178.311 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 15.8 ttmm -63.8 -42.77 97.65 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 120.434 1.47 . . . . 0.0 111.427 179.276 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -67.16 -43.32 82.54 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 176.949 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 10.0 m -64.67 -33.57 76.25 Favored 'General case' 0 CA--C 1.553 1.082 0 N-CA-C 114.934 1.457 . . . . 0.0 114.934 167.071 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.53 -41.25 94.06 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 120.713 1.597 . . . . 0.0 111.535 168.929 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -54.7 -46.62 74.19 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-O 117.947 -1.025 . . . . 0.0 112.795 166.57 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 29.9 mm -57.13 -48.79 81.4 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 CA-C-N 120.263 1.392 . . . . 0.0 113.619 169.454 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.19 -47.07 75.77 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 173.823 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -65.38 -38.05 88.86 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.271 1.028 . . . . 0.0 113.261 173.446 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -65.05 -46.51 80.95 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 119.15 0.886 . . . . 0.0 112.503 173.481 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 82.0 t -62.78 -38.08 80.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 CA-C-N 119.371 0.987 . . . . 0.0 112.366 173.834 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 39.1 ttm-85 -60.54 -39.52 88.21 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 113.404 0.89 . . . . 0.0 113.404 172.13 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.95 -52.23 9.76 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 113.737 1.014 . . . . 0.0 113.737 172.32 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -79.48 74.05 6.13 Favored 'General case' 0 CA--C 1.55 0.972 0 CA-C-O 123.618 1.675 . . . . 0.0 112.243 -177.488 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 86.1 mm-40 -99.77 -56.21 2.45 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 114.576 -1.193 . . . . 0.0 113.337 173.212 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . . . . . . . . 1 C--N 1.234 -4.452 0 CA-C-N 119.841 1.201 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 38.0 ttm . . . . . 0 CA--C 1.547 0.848 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -71.41 67.83 0.52 Allowed 'General case' 0 CA--C 1.556 1.182 0 CA-C-O 124.089 1.899 . . . . 0.0 115.902 -173.352 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -60.14 -30.22 69.16 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 113.245 -1.798 . . . . 0.0 114.237 172.621 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -59.34 -48.63 80.9 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.281 1.032 . . . . 0.0 112.453 170.659 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.3 mmmp? -66.02 -38.22 87.88 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-O 117.987 -1.006 . . . . 0.0 113.309 174.805 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 78.6 mt -52.72 -55.98 9.23 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 CA-C-N 118.885 0.766 . . . . 0.0 111.257 168.639 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -70.05 -34.62 73.45 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-O 116.896 -1.526 . . . . 0.0 113.348 178.092 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -66.37 -46.33 77.07 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 122.764 2.529 . . . . 0.0 113.913 174.788 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -106.54 27.49 8.76 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 123.139 2.699 . . . . 0.0 113.466 173.318 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.83 -63.31 1.41 Allowed 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 119.188 3.032 . . . . 0.0 119.188 114.52 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.34 -45.93 74.93 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 117.268 2.321 . . . . 0.0 117.268 -167.199 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.8 ttpm? -81.87 52.62 1.98 Allowed 'General case' 0 CA--C 1.554 1.122 0 CA-C-O 124.155 1.931 . . . . 0.0 113.449 -169.672 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -124.15 -131.95 0.26 Allowed 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 126.479 1.912 . . . . 0.0 106.824 162.776 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -98.52 46.45 1.0 Allowed 'General case' 0 CA--C 1.548 0.903 0 O-C-N 119.762 -1.836 . . . . 0.0 110.536 152.962 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . 0.363 6.0 p90 31.27 -76.41 0.0 OUTLIER 'General case' 0 CA--C 1.549 0.919 0 N-CA-C 118.614 2.82 . . . . 0.0 118.614 -167.43 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.58 -60.79 3.02 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 118.094 2.627 . . . . 0.0 118.094 -144.427 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 38.2 ttp -70.7 -29.34 65.62 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-O 122.318 1.056 . . . . 0.0 112.603 -176.342 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 55.9 mt -85.51 -49.86 7.73 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.994 -174.892 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 44.3 tttp -36.74 -46.85 0.63 Allowed 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 117.909 2.559 . . . . 0.0 117.909 148.497 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.85 -40.46 92.98 Favored 'General case' 0 CA--C 1.553 1.077 0 CA-C-N 122.687 2.494 . . . . 0.0 111.617 171.444 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 35.6 m -62.03 -35.89 79.92 Favored 'General case' 0 CA--C 1.548 0.881 0 CA-C-N 121.173 1.806 . . . . 0.0 114.85 168.44 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -49.15 -48.35 44.94 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 119.163 0.892 . . . . 0.0 111.04 162.073 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.278 6.0 m-30 -75.94 -27.79 57.72 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 114.183 1.179 . . . . 0.0 114.183 -174.732 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -57.97 -40.78 81.47 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 159.988 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.72 -50.83 51.62 Favored Glycine 0 CA--C 1.533 1.207 0 N-CA-C 115.138 0.815 . . . . 0.0 115.138 170.649 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.45 -37.36 72.72 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.07 1.348 . . . . 0.0 113.862 178.974 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -70.58 76.94 0.58 Allowed 'General case' 0 CA--C 1.548 0.894 0 CA-C-O 122.162 0.982 . . . . 0.0 111.086 161.804 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.5 108.69 2.49 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-O 121.986 0.898 . . . . 0.0 112.144 173.83 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 26.9 m120 -100.82 -93.89 0.28 Allowed 'General case' 0 CA--C 1.547 0.83 0 O-C-N 121.732 -0.605 . . . . 0.0 112.385 179.436 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -62.47 -57.57 10.75 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 116.412 2.004 . . . . 0.0 116.412 -160.959 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -153.67 167.04 30.91 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-O 122.205 1.002 . . . . 0.0 113.033 -170.791 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.39 -24.19 67.24 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 115.936 1.828 . . . . 0.0 115.936 179.558 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 86.5 m -88.33 92.0 9.0 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 120.158 1.344 . . . . 0.0 110.012 -175.268 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 76.0 m -55.58 -38.5 69.48 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 114.673 1.36 . . . . 0.0 114.673 -175.0 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -71.13 -9.11 57.51 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 175.736 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -74.77 -56.13 5.11 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 122.068 2.213 . . . . 0.0 109.888 167.016 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.574 ' O ' HD12 ' A' ' 41' ' ' ILE . 32.1 mtm180 -53.1 -49.32 66.7 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 114.553 -1.203 . . . . 0.0 111.225 171.587 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -95.21 16.72 15.84 Favored 'General case' 0 CA--C 1.551 1.003 0 N-CA-C 116.941 2.2 . . . . 0.0 116.941 177.622 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.51 -38.13 65.44 Favored 'General case' 0 CA--C 1.54 0.562 0 O-C-N 119.387 -2.071 . . . . 0.0 111.765 140.644 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 21.6 mmt180 -69.43 -47.68 63.33 Favored 'General case' 0 CA--C 1.553 1.093 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 173.315 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.574 HD12 ' O ' ' A' ' 37' ' ' ARG . 3.5 mp -70.05 87.91 0.25 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.841 0 CA-C-O 127.222 3.391 . . . . 0.0 112.381 164.581 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.63 2.65 55.69 Favored 'General case' 0 CA--C 1.547 0.83 1 CA-C-N 106.694 -4.775 . . . . 0.0 116.218 -171.603 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 76.3 mt -62.23 -42.87 96.95 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.856 0 N-CA-C 114.595 1.331 . . . . 0.0 114.595 -162.644 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -176.87 160.91 28.42 Favored Glycine 0 CA--C 1.544 1.859 0 CA-C-O 117.651 -1.638 . . . . 0.0 115.609 174.795 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -50.93 -46.82 28.54 Favored 'Trans proline' 0 C--N 1.362 1.261 1 C-N-CA 125.385 4.057 . . . . 0.0 116.158 178.471 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -69.91 -27.04 64.45 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 113.178 0.807 . . . . 0.0 113.178 175.431 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.62 -54.2 17.94 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-O 117.589 -1.196 . . . . 0.0 111.125 171.736 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -49.01 -43.42 15.13 Favored 'Isoleucine or valine' 0 C--N 1.352 0.675 0 CA-C-N 120.308 1.413 . . . . 0.0 114.521 167.076 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.7 tttm -60.82 -52.3 65.67 Favored 'General case' 0 CA--C 1.552 1.048 0 N-CA-C 114.351 1.241 . . . . 0.0 114.351 175.416 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.56 -46.4 80.74 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 119.399 0.999 . . . . 0.0 111.467 171.387 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.571 ' CE2' HD13 ' A' ' 41' ' ' ILE . 4.2 t80 -53.87 -59.33 4.77 Favored 'General case' 0 C--N 1.349 0.544 0 C-N-CA 124.587 1.155 . . . . 0.0 111.472 174.884 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.11 -33.06 74.91 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 113.676 0.991 . . . . 0.0 113.676 -177.116 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -64.73 -57.14 9.78 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 120.297 1.408 . . . . 0.0 111.106 172.735 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.7 m -58.5 -42.09 86.86 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 114.415 1.265 . . . . 0.0 114.415 174.688 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 42.7 t -64.19 -39.37 93.84 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 120.047 1.294 . . . . 0.0 113.562 175.671 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -57.38 -51.41 69.52 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 119.939 1.245 . . . . 0.0 112.08 167.843 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 6.6 mt -65.94 -36.09 76.66 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.897 0 N-CA-C 113.056 0.762 . . . . 0.0 113.056 177.986 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.04 -46.64 82.25 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 167.867 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -65.59 -35.83 81.98 Favored 'General case' 0 CA--C 1.547 0.854 0 CA-C-N 119.607 1.094 . . . . 0.0 113.521 171.468 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -58.83 -45.18 90.61 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.058 0.943 . . . . 0.0 112.415 167.741 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 82.8 t -60.58 -43.93 95.67 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.782 0 CA-C-N 119.135 0.88 . . . . 0.0 112.589 170.22 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 26.0 mmt85 -61.53 -33.15 73.34 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 120.486 1.494 . . . . 0.0 114.337 171.568 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.86 -33.64 74.13 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 113.857 1.058 . . . . 0.0 113.857 168.073 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -73.51 -48.63 31.74 Favored 'General case' 0 CA--C 1.545 0.774 0 O-C-N 121.358 -0.839 . . . . 0.0 113.122 169.944 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -139.31 120.19 14.41 Favored 'General case' 0 CA--C 1.549 0.924 0 O-C-N 120.963 -1.086 . . . . 0.0 113.244 -179.183 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . . . . . . . . 1 C--N 1.23 -4.628 0 O-C-N 121.787 -0.571 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.5 mmm . . . . . 0 CA--C 1.55 0.972 0 N-CA-C 114.206 1.187 . . . . 0.0 114.206 . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 72.6 mt 47.2 -89.66 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 127.389 2.276 . . . . 0.0 115.644 179.22 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 6.7 tm0? -63.3 -44.96 93.52 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 125.332 1.453 . . . . 0.0 111.354 175.452 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 30.7 mmtm -69.89 -29.56 66.78 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 115.186 -0.915 . . . . 0.0 112.622 175.065 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 8.6 mmmt -61.94 -44.56 96.51 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 120.206 1.366 . . . . 0.0 113.005 169.522 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 81.9 mt -52.57 -49.71 43.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 123.788 0.835 . . . . 0.0 111.388 167.654 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -62.94 -48.05 80.58 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-O 117.402 -1.285 . . . . 0.0 113.829 172.814 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -54.74 -45.27 74.11 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 115.342 1.608 . . . . 0.0 115.342 179.371 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -138.7 46.93 1.97 Allowed 'General case' 0 N--CA 1.472 0.661 0 CA-C-O 124.532 2.11 . . . . 0.0 111.54 -177.678 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.34 -59.66 4.67 Favored 'General case' 0 CA--C 1.548 0.872 1 N-CA-C 122.605 4.298 . . . . 0.0 122.605 85.556 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.97 -49.41 70.4 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 123.267 2.758 . . . . 0.0 118.049 -168.724 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -68.11 38.3 0.03 OUTLIER 'General case' 0 CA--C 1.556 1.194 0 N-CA-C 116.604 2.075 . . . . 0.0 116.604 -172.72 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -117.91 -131.16 0.31 Allowed 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 126.031 1.733 . . . . 0.0 107.759 170.189 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -99.04 40.72 1.18 Allowed 'General case' 0 CA--C 1.548 0.878 0 O-C-N 119.758 -1.839 . . . . 0.0 111.071 155.533 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 53.94 -86.14 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 126.206 1.802 . . . . 0.0 113.996 -174.345 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.84 -60.67 3.3 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 117.85 2.537 . . . . 0.0 117.85 -143.251 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 34.1 ttm -68.65 -36.19 78.25 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.563 0.745 . . . . 0.0 112.504 -175.35 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -75.12 -51.81 12.53 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 124.551 1.14 . . . . 0.0 111.226 -179.321 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 50.1 tttp -39.9 -47.18 2.14 Favored 'General case' 0 CA--C 1.549 0.912 0 N-CA-C 117.61 2.448 . . . . 0.0 117.61 154.406 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.5 tmtm? -59.34 -40.35 86.08 Favored 'General case' 0 CA--C 1.551 0.998 0 CA-C-N 122.16 2.254 . . . . 0.0 112.568 170.905 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 61.3 m -63.08 -36.97 85.34 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 120.946 1.703 . . . . 0.0 114.468 169.014 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -48.99 -47.64 44.09 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.892 0.877 . . . . 0.0 111.613 162.909 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.283 6.6 m-30 -76.2 -29.59 57.69 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 114.077 1.14 . . . . 0.0 114.077 -174.553 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -57.48 -40.54 78.82 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 112.767 0.654 . . . . 0.0 112.767 160.553 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.24 -50.41 56.67 Favored Glycine 0 CA--C 1.533 1.195 0 N-CA-C 115.242 0.857 . . . . 0.0 115.242 170.005 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.96 -37.35 71.44 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.86 1.264 . . . . 0.0 114.218 179.397 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 70.5 m-85 -71.03 75.42 0.65 Allowed 'General case' 0 CA--C 1.551 1.005 0 CA-C-O 122.095 0.95 . . . . 0.0 112.306 165.426 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.3 tpm_? -71.15 108.99 4.93 Favored 'General case' 0 CA--C 1.551 1.008 0 O-C-N 120.738 -1.227 . . . . 0.0 113.929 173.335 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.4 p-10 -83.08 102.45 11.82 Favored 'General case' 0 CA--C 1.547 0.837 0 O-C-N 120.484 -1.385 . . . . 0.0 111.472 168.099 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -69.34 61.47 0.13 Allowed 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 125.685 1.594 . . . . 0.0 115.218 -173.017 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -137.98 -68.94 0.45 Allowed 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 114.812 -1.086 . . . . 0.0 113.161 177.5 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -74.46 -173.66 1.81 Allowed 'General case' 0 CA--C 1.555 1.147 0 N-CA-C 115.461 1.652 . . . . 0.0 115.461 173.334 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 66.6 p -99.6 148.06 24.71 Favored 'General case' 0 N--CA 1.475 0.808 0 O-C-N 119.554 -1.966 . . . . 0.0 112.96 174.088 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 52.5 t -62.46 -48.72 78.42 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 114.247 1.203 . . . . 0.0 114.247 -173.869 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.3 mp0 -66.89 -32.39 73.61 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.128 0.971 . . . . 0.0 113.471 179.861 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -62.61 -50.78 69.88 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.078 1.351 . . . . 0.0 112.185 169.211 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.592 ' O ' HD12 ' A' ' 41' ' ' ILE . 19.3 ttp180 -54.86 -52.98 61.1 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 114.683 -1.144 . . . . 0.0 111.129 172.937 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -81.12 -2.66 49.25 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 117.28 2.326 . . . . 0.0 117.28 176.095 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.19 -36.36 81.59 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 119.615 -1.928 . . . . 0.0 112.266 152.535 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 49.3 mtt85 -70.52 -38.45 74.25 Favored 'General case' 0 CA--C 1.551 1.019 0 N-CA-C 113.58 0.956 . . . . 0.0 113.58 169.037 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.592 HD12 ' O ' ' A' ' 37' ' ' ARG 0.313 3.4 mp -73.23 84.89 0.46 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.938 0 CA-C-O 127.184 3.373 . . . . 0.0 113.934 170.582 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 32.3 mmtm -92.47 14.71 15.9 Favored 'General case' 0 CA--C 1.547 0.832 1 CA-C-N 107.162 -4.563 . . . . 0.0 116.172 -175.974 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 83.2 mt -65.26 -42.11 93.15 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.933 0 CA-C-N 119.916 1.235 . . . . 0.0 113.695 -171.177 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -178.03 159.94 25.92 Favored Glycine 0 CA--C 1.545 1.957 0 CA-C-O 117.349 -1.806 . . . . 0.0 114.983 173.856 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_exo -51.64 -49.87 15.81 Favored 'Trans proline' 0 C--N 1.361 1.185 0 C-N-CA 125.213 3.942 . . . . 0.0 116.245 179.378 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -68.39 -24.61 64.79 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 113.639 0.978 . . . . 0.0 113.639 174.986 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -71.2 -53.74 13.39 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 117.629 -1.177 . . . . 0.0 110.852 172.966 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -51.0 -40.27 20.54 Favored 'Isoleucine or valine' 0 C--N 1.352 0.692 0 CA-C-N 120.68 1.582 . . . . 0.0 114.494 167.176 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.0 tttm -63.39 -49.81 72.34 Favored 'General case' 0 CA--C 1.555 1.168 0 N-CA-C 114.455 1.28 . . . . 0.0 114.455 173.607 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.28 -44.99 84.48 Favored 'General case' 0 N--CA 1.481 1.075 0 CA-C-N 120.921 1.691 . . . . 0.0 111.152 170.496 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.575 ' CE2' HD13 ' A' ' 41' ' ' ILE . 3.4 t80 -53.61 -60.24 3.57 Favored 'General case' 0 C--N 1.349 0.56 0 C-N-CA 124.53 1.132 . . . . 0.0 111.414 174.087 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -59.49 -40.95 88.68 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 119.482 1.037 . . . . 0.0 113.349 -178.864 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.421 ' O ' HG12 ' A' ' 57' ' ' ILE . 15.2 t70 -60.89 -55.63 30.77 Favored 'General case' 0 CA--C 1.549 0.918 0 CA-C-N 119.938 1.244 . . . . 0.0 112.239 176.226 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.9 m -58.8 -44.93 90.91 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 171.869 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 12.3 t -61.85 -40.38 95.12 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 119.956 1.253 . . . . 0.0 112.82 177.464 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -60.37 -49.97 75.48 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-O 117.499 -1.239 . . . . 0.0 112.289 169.248 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.421 HG12 ' O ' ' A' ' 53' ' ' ASP . 14.5 mm -59.8 -46.38 93.72 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 CA-C-N 120.671 1.578 . . . . 0.0 111.894 176.755 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.65 -50.55 71.74 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.346 1.058 . . . . 0.0 113.472 173.678 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -64.93 -35.95 82.81 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 119.347 0.976 . . . . 0.0 113.285 177.344 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 29.6 tp60 -66.87 -46.55 74.62 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 119.515 1.052 . . . . 0.0 111.946 172.717 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 71.1 t -64.22 -43.22 97.25 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.722 0 O-C-N 121.438 -0.789 . . . . 0.0 112.631 173.976 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 28.2 mmm180 -67.14 -27.21 67.12 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 120.487 1.494 . . . . 0.0 114.822 173.949 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.85 -54.84 11.69 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 120.188 1.358 . . . . 0.0 112.653 164.741 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -78.62 62.65 3.23 Favored 'General case' 0 CA--C 1.55 0.959 0 CA-C-O 122.994 1.378 . . . . 0.0 114.579 -179.216 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -108.05 -52.55 2.75 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-O 117.958 -1.02 . . . . 0.0 113.304 173.271 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . . . . . . . . 1 C--N 1.233 -4.465 0 CA-C-N 119.848 1.204 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.546 0.809 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 . . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 84.7 mt -110.74 9.63 22.71 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 113.849 1.055 . . . . 0.0 113.849 -178.27 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 21.4 mp0 -58.6 -38.03 77.08 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 115.353 1.612 . . . . 0.0 115.353 -176.691 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -76.02 -28.6 57.81 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 114.825 1.417 . . . . 0.0 114.825 172.45 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.2 tttm -63.29 -42.14 99.05 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 120.39 1.45 . . . . 0.0 110.924 165.978 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.3 mp -59.72 -43.08 90.72 Favored 'Isoleucine or valine' 0 C--N 1.342 0.275 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.929 168.407 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -63.63 -42.68 98.13 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 123.129 2.695 . . . . 0.0 114.379 169.387 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -55.12 -41.33 71.56 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.782 1.233 . . . . 0.0 114.053 175.855 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -143.97 56.7 1.33 Allowed 'General case' 0 N--CA 1.472 0.665 0 CA-C-O 125.053 2.359 . . . . 0.0 111.491 175.684 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.54 -51.32 70.39 Favored 'General case' 0 CA--C 1.549 0.917 1 N-CA-C 121.858 4.022 . . . . 0.0 121.858 81.165 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.31 -46.64 66.64 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 117.925 2.565 . . . . 0.0 117.925 -173.7 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 30.6 ttmt -51.99 -3.05 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.124 0 N-CA-C 118.615 2.82 . . . . 0.0 118.615 -174.786 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -92.76 -109.9 0.11 Allowed 'General case' 0 CA--C 1.551 0.991 0 O-C-N 119.538 -1.976 . . . . 0.0 109.784 -177.171 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -107.33 43.19 1.2 Allowed 'General case' 0 CA--C 1.547 0.848 0 O-C-N 118.726 -2.484 . . . . 0.0 111.554 160.591 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 56.4 -94.86 0.05 OUTLIER 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 126.124 1.77 . . . . 0.0 114.734 179.056 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.37 -53.63 22.69 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 116.248 1.944 . . . . 0.0 116.248 -155.0 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 35.4 ttm -70.09 -34.11 72.73 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.589 0.756 . . . . 0.0 112.244 -176.81 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -78.42 -45.27 22.7 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.04 0.936 . . . . 0.0 112.599 178.322 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 51.3 tttp -44.16 -43.66 7.22 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 117.432 2.382 . . . . 0.0 117.432 151.823 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.0 tptp -63.77 -33.53 75.87 Favored 'General case' 0 CA--C 1.558 1.267 0 CA-C-N 122.427 2.376 . . . . 0.0 113.321 170.257 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 63.1 m -59.22 -42.42 90.95 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 121.25 1.841 . . . . 0.0 114.206 166.019 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.6 t -48.8 -51.57 28.61 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.814 0.846 . . . . 0.0 110.683 164.285 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.303 5.6 m-30 -73.86 -21.42 60.1 Favored 'General case' 0 CA--C 1.551 1.014 0 N-CA-C 114.314 1.227 . . . . 0.0 114.314 -174.658 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -60.47 -42.68 96.71 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.448 0.699 . . . . 0.0 112.882 158.334 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.28 -47.49 84.17 Favored Glycine 0 CA--C 1.535 1.3 0 N-CA-C 115.219 0.847 . . . . 0.0 115.219 170.109 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.29 -36.46 80.12 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 177.977 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -67.89 93.21 0.39 Allowed 'General case' 0 CA--C 1.55 0.971 0 CA-C-N 119.162 0.892 . . . . 0.0 110.872 163.45 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 66.8 ttt180 -127.61 130.95 49.89 Favored 'General case' 0 CA--C 1.546 0.803 0 O-C-N 120.747 -1.221 . . . . 0.0 113.572 169.109 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 15.1 p30 -98.79 171.6 7.98 Favored 'General case' 0 CA--C 1.552 1.026 0 O-C-N 121.069 -1.019 . . . . 0.0 112.771 162.215 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -59.2 -24.58 63.24 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 116.121 1.897 . . . . 0.0 116.121 -174.165 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -84.26 -27.57 27.8 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 113.909 1.077 . . . . 0.0 113.909 179.692 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -71.15 135.02 47.4 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 114.844 1.424 . . . . 0.0 114.844 -177.394 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 80.4 m -115.26 130.69 56.98 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 120.823 -1.173 . . . . 0.0 110.715 173.225 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 93.0 m -55.12 -59.05 5.29 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 115.588 1.699 . . . . 0.0 115.588 -161.78 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -79.27 -15.01 58.65 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 114.319 1.229 . . . . 0.0 114.319 -178.404 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -67.64 -58.16 5.16 Favored 'General case' 0 C--O 1.242 0.689 0 CA-C-N 119.511 1.051 . . . . 0.0 110.533 167.12 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.62 ' O ' HD12 ' A' ' 41' ' ' ILE . 28.7 ptt180 -66.91 -37.61 84.68 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 117.492 -1.242 . . . . 0.0 111.839 176.568 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . 0.259 . . -89.65 11.03 20.97 Favored 'General case' 0 CA--C 1.55 0.969 0 CA-C-N 122.29 2.313 . . . . 0.0 116.636 172.339 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.13 -41.6 63.8 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 119.228 -2.17 . . . . 0.0 111.769 142.263 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 36.1 ttp-105 -69.45 -40.5 77.15 Favored 'General case' 0 CA--C 1.556 1.211 0 N-CA-C 114.01 1.115 . . . . 0.0 114.01 172.686 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.62 HD12 ' O ' ' A' ' 37' ' ' ARG . 3.3 mp -72.83 83.73 0.41 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.839 0 CA-C-O 127.021 3.296 . . . . 0.0 112.011 160.896 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -100.43 19.14 17.31 Favored 'General case' 0 CA--C 1.548 0.884 1 CA-C-N 107.442 -4.435 . . . . 0.0 115.225 -174.817 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 81.0 mt -66.11 -41.13 88.89 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.866 0 C-N-CA 124.095 0.958 . . . . 0.0 113.492 -171.292 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -174.14 158.97 28.02 Favored Glycine 0 CA--C 1.544 1.899 0 CA-C-O 117.617 -1.657 . . . . 0.0 115.402 174.825 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -51.31 -46.1 33.3 Favored 'Trans proline' 0 C--N 1.361 1.202 0 C-N-CA 125.297 3.998 . . . . 0.0 116.068 176.924 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 57.9 mtmt -67.7 -28.54 67.76 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.946 0.898 . . . . 0.0 113.042 175.314 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 47.2 t -70.23 -54.62 11.98 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-O 117.188 -1.386 . . . . 0.0 110.852 173.684 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -49.94 -42.46 18.88 Favored 'Isoleucine or valine' 0 C--N 1.352 0.683 0 CA-C-N 120.605 1.548 . . . . 0.0 114.65 167.907 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 32.5 tttm -62.74 -52.56 62.75 Favored 'General case' 0 CA--C 1.551 0.986 0 CA-C-O 117.441 -1.266 . . . . 0.0 113.72 173.133 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.22 -44.11 75.12 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 121.192 1.815 . . . . 0.0 111.162 173.334 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.562 ' CE2' HD13 ' A' ' 41' ' ' ILE . 3.2 t80 -55.13 -55.02 35.82 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.719 1.208 . . . . 0.0 112.22 172.956 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 18.4 tppt? -63.75 -39.94 95.49 Favored 'General case' 0 CA--C 1.55 0.961 0 CA-C-N 119.685 1.13 . . . . 0.0 113.793 179.03 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -53.95 -57.44 11.0 Favored 'General case' 0 CA--C 1.554 1.123 0 CA-C-N 120.466 1.485 . . . . 0.0 112.798 170.465 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 5.9 m -61.18 -34.34 74.9 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 115.702 1.741 . . . . 0.0 115.702 170.973 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -66.55 -34.27 77.53 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 121.065 1.757 . . . . 0.0 112.322 171.596 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -58.84 -47.07 86.15 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-O 116.576 -1.678 . . . . 0.0 112.852 164.239 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.481 1.9 pp -70.54 -28.27 34.12 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 CA-C-N 122.987 2.63 . . . . 0.0 115.353 171.75 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.73 -42.78 84.57 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 121.646 2.021 . . . . 0.0 112.549 168.032 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -62.24 -46.51 88.51 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 113.335 0.865 . . . . 0.0 113.335 168.381 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -59.78 -46.72 88.3 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 119.379 0.99 . . . . 0.0 112.914 174.48 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 71.5 t -62.79 -42.46 96.4 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.637 0 CA-C-O 117.966 -1.016 . . . . 0.0 112.35 173.833 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.685 HH11 ' N ' ' A' ' 66' ' ' SER . 25.3 tpt85 -69.24 -31.37 69.88 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-N 121.199 1.818 . . . . 0.0 114.194 174.665 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.88 -33.57 74.98 Favored 'General case' 0 CA--C 1.547 0.858 0 O-C-N 120.165 -1.584 . . . . 0.0 113.677 167.597 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -74.65 -51.46 14.37 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 124.593 1.157 . . . . 0.0 113.165 171.991 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -118.9 -61.36 1.66 Allowed 'General case' 0 CA--C 1.549 0.906 0 O-C-N 120.758 -1.214 . . . . 0.0 113.578 -178.114 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.685 ' N ' HH11 ' A' ' 62' ' ' ARG . . . . . . . . 1 C--N 1.237 -4.324 0 CA-C-N 120.596 1.544 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.7 ptp . . . . . 0 CA--C 1.551 0.994 0 N-CA-C 114.432 1.271 . . . . 0.0 114.432 . . . . . . . . . 0 0 . 1 . 038 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 8.0 mp 59.38 -97.79 0.08 Allowed 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.779 1.631 . . . . 0.0 113.212 178.567 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.403 ' NE2' ' H ' ' A' ' 4' ' ' LYS . 0.6 OUTLIER -61.36 -47.07 87.56 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 115.258 1.577 . . . . 0.0 115.258 -170.036 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.403 ' H ' ' NE2' ' A' ' 3' ' ' GLN . 61.5 tttp -59.53 -43.45 93.44 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.033 1.333 . . . . 0.0 112.947 175.06 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -73.24 -41.69 63.43 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-O 116.846 -1.55 . . . . 0.0 114.023 178.895 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 5.8 mt -61.61 -39.83 84.47 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 CA-C-N 122.562 2.437 . . . . 0.0 110.014 170.918 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -60.13 -62.37 1.92 Allowed 'General case' 0 CA--C 1.543 0.682 0 CA-C-O 117.683 -1.151 . . . . 0.0 111.99 170.95 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -71.95 -23.19 61.41 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 122.494 2.406 . . . . 0.0 115.714 -176.034 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -95.78 -24.47 16.47 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 121.004 1.729 . . . . 0.0 113.527 175.4 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -107.73 21.89 16.76 Favored 'General case' 0 CA--C 1.555 1.137 0 N-CA-C 121.723 3.971 . . . . 0.0 121.723 160.195 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.92 21.65 0.0 OUTLIER 'General case' 0 CA--C 1.558 1.273 0 N-CA-C 121.168 3.766 . . . . 0.0 121.168 -178.934 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 80.0 tttt 51.98 57.01 6.96 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 126.81 2.044 . . . . 0.0 111.776 -173.383 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.1 p90 -125.97 -137.77 0.27 Allowed 'General case' 0 CA--C 1.551 0.996 0 CA-C-N 113.876 -1.511 . . . . 0.0 111.651 -159.184 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -76.14 -52.94 9.05 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.998 1.319 . . . . 0.0 112.857 -177.189 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -89.69 69.48 7.72 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-O 123.986 1.85 . . . . 0.0 112.302 -172.844 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.52 -39.32 90.6 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 111.46 -2.609 . . . . 0.0 115.182 -178.987 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 46.4 ttp -67.84 -31.81 71.9 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 123.891 0.876 . . . . 0.0 112.735 175.666 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -80.11 -40.22 27.96 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.449 1.1 . . . . 0.0 112.825 177.554 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 46.0 tttp -49.08 -43.53 41.16 Favored 'General case' 0 CA--C 1.552 1.024 0 N-CA-C 114.61 1.337 . . . . 0.0 114.61 153.619 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -66.99 -25.59 66.39 Favored 'General case' 0 CA--C 1.56 1.329 0 O-C-N 119.493 -2.004 . . . . 0.0 112.859 171.73 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 56.7 m -62.64 -41.37 99.0 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 121.39 1.905 . . . . 0.0 114.51 161.436 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -48.08 -49.98 29.77 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 118.748 0.703 . . . . 0.0 110.654 162.115 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.318 4.1 m-30 -76.34 -17.87 59.19 Favored 'General case' 0 CA--C 1.551 1.018 0 N-CA-C 114.656 1.354 . . . . 0.0 114.656 -176.024 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -61.09 -45.36 95.02 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-N 119.992 1.269 . . . . 0.0 113.203 154.864 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.76 -45.42 94.89 Favored Glycine 0 CA--C 1.534 1.249 0 CA-C-O 119.284 -0.731 . . . . 0.0 114.217 171.809 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.59 -46.08 84.23 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 113.746 1.017 . . . . 0.0 113.746 173.7 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 23.3 t80 -77.49 73.97 4.06 Favored 'General case' 0 CA--C 1.552 1.022 0 CA-C-O 123.863 1.792 . . . . 0.0 111.123 172.4 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 21.0 ttt-85 -74.46 123.01 23.93 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 113.48 -1.691 . . . . 0.0 114.278 -178.4 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -148.52 -73.06 0.19 Allowed 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 115.709 1.744 . . . . 0.0 115.709 -175.196 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -67.06 0.33 2.69 Favored 'General case' 0 CA--C 1.553 1.063 0 N-CA-C 118.88 2.919 . . . . 0.0 118.88 -166.249 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -161.48 152.76 18.62 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 121.346 1.885 . . . . 0.0 112.809 173.905 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -69.01 -36.02 77.33 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 114.121 1.156 . . . . 0.0 114.121 168.311 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 12.1 t -113.33 137.34 51.64 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 123.1 2.682 . . . . 0.0 114.021 -177.099 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 84.2 m -63.71 -47.68 80.16 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 115.676 1.732 . . . . 0.0 115.676 -166.066 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.28 -28.11 61.05 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-O 117.811 -1.09 . . . . 0.0 113.827 -175.506 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.36 -45.48 69.26 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 121.528 1.967 . . . . 0.0 110.471 170.154 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.579 ' O ' HD12 ' A' ' 41' ' ' ILE . 34.0 ttt180 -53.61 -53.8 46.63 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.97 0.908 . . . . 0.0 111.261 171.14 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -85.9 6.13 29.79 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 116.994 2.22 . . . . 0.0 116.994 175.824 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.35 -32.2 64.39 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 119.519 -1.988 . . . . 0.0 112.663 149.073 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 63.4 mtt180 -67.95 -42.4 81.02 Favored 'General case' 0 CA--C 1.55 0.969 0 CA-C-N 118.988 0.813 . . . . 0.0 111.993 167.583 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.579 HD12 ' O ' ' A' ' 37' ' ' ARG 0.277 3.4 mp -76.81 85.17 0.79 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.913 0 CA-C-O 126.944 3.259 . . . . 0.0 113.538 170.467 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 60.0 mtpt -84.5 0.66 48.96 Favored 'General case' 0 CA--C 1.545 0.765 1 CA-C-N 107.549 -4.387 . . . . 0.0 116.631 -173.284 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 75.2 mt -63.36 -41.57 93.21 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.921 0 N-CA-C 114.719 1.377 . . . . 0.0 114.719 -163.698 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 177.78 168.5 37.47 Favored Glycine 0 CA--C 1.546 1.986 0 CA-C-N 120.801 1.637 . . . . 0.0 116.628 174.389 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_exo -51.86 -52.55 8.72 Favored 'Trans proline' 0 C--N 1.363 1.315 1 C-N-CA 125.323 4.015 . . . . 0.0 115.862 176.404 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 14.0 mmmt -54.98 -35.8 64.71 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.58 1.152 . . . . 0.0 113.717 171.274 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 45.1 t -67.17 -59.98 2.99 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 116.569 -1.681 . . . . 0.0 110.804 177.058 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -48.59 -43.39 13.36 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 CA-C-N 120.944 1.702 . . . . 0.0 115.512 171.14 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.7 mtpm? -60.18 -57.09 14.29 Favored 'General case' 0 CA--C 1.552 1.031 0 N-CA-C 115.256 1.576 . . . . 0.0 115.256 174.414 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.21 -46.84 72.57 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 124.033 0.933 . . . . 0.0 110.626 172.405 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.577 ' CE2' HD13 ' A' ' 41' ' ' ILE . 3.4 t80 -54.73 -54.36 42.88 Favored 'General case' 0 C--N 1.349 0.582 0 C-N-CA 124.734 1.214 . . . . 0.0 112.124 174.464 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 8.0 tptp -61.84 -40.91 96.98 Favored 'General case' 0 C--O 1.242 0.693 0 N-CA-C 114.235 1.198 . . . . 0.0 114.235 -176.742 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -71.77 -41.32 68.51 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 114.289 1.218 . . . . 0.0 114.289 175.242 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 4.6 m -61.92 -35.02 77.16 Favored 'General case' 0 CA--C 1.549 0.923 0 N-CA-C 114.509 1.3 . . . . 0.0 114.509 166.484 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 5.7 t -63.78 -34.91 78.96 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 120.884 1.675 . . . . 0.0 112.469 171.16 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -59.08 -52.22 66.69 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-O 116.481 -1.723 . . . . 0.0 113.298 164.123 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.417 1.8 pp -69.1 -27.14 34.01 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 CA-C-N 122.93 2.605 . . . . 0.0 115.065 175.998 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.3 -47.64 84.64 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.826 0.85 . . . . 0.0 112.484 168.565 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 53.9 m-80 -63.61 -35.73 81.46 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 171.023 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -62.01 -52.68 63.0 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-O 117.294 -1.336 . . . . 0.0 113.414 169.539 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 33.6 m -68.2 -24.63 30.18 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 CA-C-N 121.862 2.119 . . . . 0.0 114.151 176.608 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 15.8 ttp85 -65.56 -43.47 89.76 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 119.614 1.097 . . . . 0.0 112.721 166.614 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -80.71 -52.39 7.6 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 114.636 1.347 . . . . 0.0 114.636 175.116 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -79.52 66.47 4.99 Favored 'General case' 0 CA--C 1.549 0.912 0 CA-C-O 123.267 1.508 . . . . 0.0 112.816 -173.906 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -97.27 129.6 44.56 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.531 175.229 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . . . . . . . . 1 C--N 1.23 -4.602 0 CA-C-N 117.951 0.342 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 33.7 mmt . . . . . 0 CA--C 1.545 0.757 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 . . . . . . . . . 0 0 . 1 . 039 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 95.1 mt -80.09 40.72 0.49 Allowed 'General case' 0 CA--C 1.554 1.124 0 N-CA-C 114.852 1.427 . . . . 0.0 114.852 -173.67 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 19.6 mm100 -62.07 -43.49 98.73 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.855 1.262 . . . . 0.0 113.458 -170.823 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 22.7 tptp -61.53 -35.53 77.99 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.682 1.193 . . . . 0.0 113.061 174.555 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 22.0 mmtm -71.49 -39.78 70.65 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-O 117.202 -1.38 . . . . 0.0 113.949 175.814 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 5.2 mp -61.16 -44.98 99.41 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.178 0 CA-C-N 121.837 2.108 . . . . 0.0 110.358 167.107 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.3 tm-20 -57.83 -45.9 85.49 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-O 117.956 -1.021 . . . . 0.0 112.463 174.152 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -63.45 -44.88 93.22 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 122.257 2.299 . . . . 0.0 114.305 174.005 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.434 ' O ' ' HE1' ' A' ' 13' ' ' TYR . 7.0 mm-40 -73.18 -39.29 65.72 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 114.395 1.257 . . . . 0.0 114.395 177.221 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -106.12 43.42 1.14 Allowed 'General case' 0 CA--C 1.55 0.95 0 N-CA-C 119.692 3.219 . . . . 0.0 119.692 163.56 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.71 20.09 0.01 OUTLIER 'General case' 0 CA--C 1.557 1.234 0 N-CA-C 118.557 2.799 . . . . 0.0 118.557 168.141 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt 44.49 55.77 5.5 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 127.258 2.223 . . . . 0.0 113.97 -172.978 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.434 ' HE1' ' O ' ' A' ' 9' ' ' GLU . 1.7 p90 -122.25 -129.27 0.27 Allowed 'General case' 0 CA--C 1.551 0.998 0 CA-C-N 114.2 -1.363 . . . . 0.0 112.782 -156.157 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 34.0 mtpt -76.3 -52.76 9.32 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 120.404 -1.435 . . . . 0.0 112.555 -177.686 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 36.9 m-85 -89.94 72.39 7.47 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-O 123.546 1.641 . . . . 0.0 112.5 -167.72 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.96 -42.91 81.01 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 111.634 -2.53 . . . . 0.0 115.157 -178.178 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 34.8 ttm -68.81 -28.79 67.08 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.291 1.036 . . . . 0.0 112.651 176.027 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 45.3 mt -92.17 -35.4 13.87 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 121.164 -0.96 . . . . 0.0 111.788 -173.862 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.02 -30.04 68.89 Favored 'General case' 0 CA--C 1.552 1.024 0 O-C-N 119.785 -1.822 . . . . 0.0 114.328 153.341 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.3 tmtm? -65.73 -34.24 77.73 Favored 'General case' 0 CA--C 1.553 1.09 0 CA-C-N 122.632 2.469 . . . . 0.0 111.739 165.933 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 67.8 m -56.22 -41.01 74.96 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 121.471 1.942 . . . . 0.0 114.24 163.754 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -49.46 -53.2 24.29 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 118.618 0.644 . . . . 0.0 110.875 161.576 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.292 6.8 m-30 -74.29 -19.71 60.38 Favored 'General case' 0 CA--C 1.551 1.01 0 N-CA-C 114.783 1.401 . . . . 0.0 114.783 -174.903 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -61.11 -45.46 94.6 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.843 0.857 . . . . 0.0 112.582 157.02 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.24 -44.01 97.9 Favored Glycine 0 CA--C 1.534 1.262 0 C-N-CA 123.778 0.704 . . . . 0.0 114.77 171.269 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.03 -41.15 97.53 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 113.304 0.853 . . . . 0.0 113.304 173.948 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -71.56 76.02 0.8 Allowed 'General case' 0 CA--C 1.551 1.013 0 CA-C-O 123.568 1.651 . . . . 0.0 111.137 168.565 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -104.2 81.12 1.79 Allowed 'General case' 0 CA--C 1.544 0.72 0 CA-C-O 123.301 1.524 . . . . 0.0 110.401 173.248 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -125.56 -34.39 2.67 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 114.772 -1.103 . . . . 0.0 113.397 175.116 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.62 -67.56 0.37 Allowed 'General case' 0 CA--C 1.548 0.885 0 N-CA-C 115.537 1.68 . . . . 0.0 115.537 174.031 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -118.97 136.58 54.02 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 120.264 1.393 . . . . 0.0 111.643 177.663 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -60.54 -49.4 77.71 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 114.979 1.474 . . . . 0.0 114.979 176.322 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 25.6 m -81.25 109.52 15.86 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.498 0.719 . . . . 0.0 112.148 -175.52 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 66.8 m -56.04 -47.92 76.96 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.174 1.39 . . . . 0.0 114.711 -178.453 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -66.16 -31.05 71.67 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 113.814 1.042 . . . . 0.0 113.814 -178.397 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -66.66 -55.35 15.59 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 120.367 1.439 . . . . 0.0 110.546 175.777 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.633 ' O ' HD12 ' A' ' 41' ' ' ILE . 11.9 ptt180 -64.85 -39.26 93.27 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-O 118.249 -0.881 . . . . 0.0 111.824 177.352 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -84.58 1.47 45.82 Favored 'General case' 0 CA--C 1.548 0.882 0 N-CA-C 116.579 2.066 . . . . 0.0 116.579 172.986 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -72.95 -33.61 66.01 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 119.58 -1.95 . . . . 0.0 112.407 147.459 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 38.4 mtm105 -71.36 -40.44 70.63 Favored 'General case' 0 CA--C 1.553 1.089 0 N-CA-C 114.308 1.225 . . . . 0.0 114.308 168.165 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.633 HD12 ' O ' ' A' ' 37' ' ' ARG 0.293 3.3 mp -70.41 89.57 0.3 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.926 0 CA-C-O 126.464 3.031 . . . . 0.0 113.153 167.848 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -81.18 -17.33 50.09 Favored 'General case' 0 CA--C 1.542 0.647 1 CA-C-N 107.806 -4.27 . . . . 0.0 117.104 -174.804 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 69.2 mt -53.32 -41.29 43.29 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.94 0 N-CA-C 116.031 1.863 . . . . 0.0 116.031 -154.56 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -177.26 162.85 31.15 Favored Glycine 0 CA--C 1.544 1.882 0 CA-C-O 117.678 -1.623 . . . . 0.0 115.532 174.814 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_exo -52.31 -47.53 26.46 Favored 'Trans proline' 0 C--N 1.36 1.159 0 C-N-CA 125.202 3.934 . . . . 0.0 115.948 176.526 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 22.7 tptp -62.42 -34.3 76.48 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 124.989 1.316 . . . . 0.0 112.286 173.606 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 45.8 t -66.06 -59.01 4.21 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 117.736 -1.126 . . . . 0.0 111.41 174.144 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -53.21 -38.06 29.8 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 N-CA-C 115.248 1.573 . . . . 0.0 115.248 172.208 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.6 ttpp -62.42 -52.42 63.63 Favored 'General case' 0 CA--C 1.552 1.05 0 N-CA-C 114.279 1.214 . . . . 0.0 114.279 173.727 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.78 -48.6 69.63 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.637 1.175 . . . . 0.0 112.097 168.421 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.58 ' CE2' HD13 ' A' ' 41' ' ' ILE . 3.2 t80 -54.31 -53.57 52.0 Favored 'General case' 0 C--N 1.347 0.474 0 C-N-CA 124.763 1.225 . . . . 0.0 111.872 175.768 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.401 ' O ' ' HD1' ' A' ' 56' ' ' TYR . 12.6 mptt -60.5 -42.22 95.92 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 113.819 1.044 . . . . 0.0 113.819 178.333 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -61.57 -49.46 76.55 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 120.492 1.496 . . . . 0.0 113.574 175.308 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 16.4 m -65.36 -32.94 74.84 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 114.91 1.448 . . . . 0.0 114.91 171.828 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.04 -30.98 71.61 Favored 'General case' 0 CA--C 1.546 0.816 0 O-C-N 120.022 -1.674 . . . . 0.0 112.509 168.772 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.401 ' HD1' ' O ' ' A' ' 52' ' ' LYS . 22.6 m-85 -63.19 -43.4 98.29 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-O 115.727 -2.082 . . . . 0.0 113.753 163.759 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.473 2.2 pp -67.47 -29.46 45.62 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 CA-C-N 124.555 3.343 . . . . 0.0 114.796 169.451 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.69 -39.06 90.1 Favored 'General case' 0 CA--C 1.55 0.947 0 CA-C-N 120.229 1.377 . . . . 0.0 113.361 166.857 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 28.9 m-80 -67.73 -38.75 83.98 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 114.477 1.288 . . . . 0.0 114.477 166.782 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -61.0 -36.38 79.33 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 120.543 1.52 . . . . 0.0 113.239 169.147 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 91.1 t -64.36 -42.92 96.8 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.826 0 CA-C-N 120.729 1.604 . . . . 0.0 112.855 167.602 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 40.0 ttp180 -64.45 -44.37 91.32 Favored 'General case' 0 CA--C 1.55 0.945 0 N-CA-C 114.172 1.175 . . . . 0.0 114.172 172.796 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -98.05 -37.17 9.86 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 117.189 2.292 . . . . 0.0 117.189 -177.568 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -119.71 -51.66 2.26 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 122.386 2.357 . . . . 0.0 114.601 -166.053 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -104.02 -64.48 1.1 Allowed 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 114.281 1.215 . . . . 0.0 114.281 -168.156 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . . . . . . . . 1 C--N 1.233 -4.498 0 CA-C-N 119.801 1.182 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 34.2 ttm . . . . . 0 CA--C 1.548 0.889 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 . . . . . . . . . 0 0 . 1 . 040 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.508 ' O ' HD12 ' A' ' 6' ' ' ILE . 73.3 mt -72.15 -44.24 63.4 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.006 0.922 . . . . 0.0 112.663 -179.567 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.3 pm0 -62.03 -38.7 89.7 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.304 1.042 . . . . 0.0 113.053 176.446 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 58.6 tttm -58.53 -46.23 87.22 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.135 0.974 . . . . 0.0 111.05 168.533 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 33.1 mmtt -68.47 -34.29 75.67 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 116.647 2.092 . . . . 0.0 116.647 177.526 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.508 HD12 ' O ' ' A' ' 2' ' ' LEU . 4.6 mp -61.13 -48.68 87.89 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.259 0 CA-C-N 124.495 3.316 . . . . 0.0 109.92 165.057 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -56.84 -46.17 81.89 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 175.491 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -68.41 -43.97 76.06 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 120.497 1.499 . . . . 0.0 114.237 177.634 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.424 ' O ' ' HE1' ' A' ' 13' ' ' TYR . 65.7 mm-40 -78.67 -27.18 45.13 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 120.17 1.35 . . . . 0.0 113.446 176.374 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -104.9 25.4 10.51 Favored 'General case' 0 CA--C 1.553 1.067 0 N-CA-C 121.766 3.988 . . . . 0.0 121.766 162.669 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.23 17.56 0.0 OUTLIER 'General case' 0 CA--C 1.557 1.235 0 N-CA-C 120.823 3.638 . . . . 0.0 120.823 176.94 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? 51.18 56.23 8.29 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 126.812 2.045 . . . . 0.0 111.531 -173.831 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.424 ' HE1' ' O ' ' A' ' 9' ' ' GLU . 4.9 p90 -120.97 -141.44 0.34 Allowed 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 113.981 -1.463 . . . . 0.0 111.274 -159.64 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.1 tptp -76.34 -36.33 58.28 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 120.686 -1.259 . . . . 0.0 113.356 -176.271 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -106.74 72.36 0.9 Allowed 'General case' 0 CA--C 1.546 0.812 0 CA-C-O 124.425 2.06 . . . . 0.0 112.912 -175.012 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.67 -37.86 88.05 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 111.159 -2.746 . . . . 0.0 114.822 179.666 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.9 mpp? -67.17 -31.76 72.4 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 123.871 0.868 . . . . 0.0 113.114 175.146 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -78.73 -39.79 35.31 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.326 1.05 . . . . 0.0 112.671 176.634 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.2 tttt -51.56 -44.66 62.79 Favored 'General case' 0 CA--C 1.552 1.028 0 N-CA-C 114.943 1.46 . . . . 0.0 114.943 155.412 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.2 tmtm? -62.34 -31.3 71.91 Favored 'General case' 0 CA--C 1.552 1.03 0 O-C-N 119.725 -1.859 . . . . 0.0 111.825 170.759 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 12.8 t -63.01 -38.03 89.55 Favored 'General case' 0 CA--C 1.555 1.142 0 CA-C-N 120.896 1.68 . . . . 0.0 114.268 166.935 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.4 t -48.22 -51.99 22.96 Favored 'General case' 0 N--CA 1.481 1.102 0 CA-C-N 119.237 0.926 . . . . 0.0 110.476 159.933 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.296 5.9 m-30 -73.9 -22.97 59.51 Favored 'General case' 0 CA--C 1.55 0.965 0 N-CA-C 114.34 1.237 . . . . 0.0 114.34 -175.646 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -61.27 -35.17 76.57 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 113.509 0.929 . . . . 0.0 113.509 158.87 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.97 -41.98 53.48 Favored Glycine 0 CA--C 1.534 1.267 0 N-CA-C 115.372 0.909 . . . . 0.0 115.372 167.735 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.58 -40.95 96.47 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 114.22 1.193 . . . . 0.0 114.22 177.569 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -73.17 63.58 0.71 Allowed 'General case' 0 CA--C 1.55 0.953 0 CA-C-O 123.51 1.624 . . . . 0.0 113.366 172.757 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 64.4 ttt180 -100.41 127.8 46.65 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 114.296 -1.32 . . . . 0.0 111.177 177.313 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 17.2 m-80 -114.76 -112.21 0.34 Allowed 'General case' 0 CA--C 1.552 1.028 0 O-C-N 120.926 -1.109 . . . . 0.0 110.302 -178.924 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -76.19 31.12 0.12 Allowed 'General case' 0 CA--C 1.555 1.15 0 O-C-N 119.145 -2.222 . . . . 0.0 114.575 172.099 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -93.12 101.22 13.52 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 120.126 -1.608 . . . . 0.0 110.935 -171.997 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -64.34 -45.13 89.18 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 115.653 1.723 . . . . 0.0 115.653 -177.454 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 38.8 m -125.28 108.73 12.01 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 119.912 1.233 . . . . 0.0 111.773 -175.191 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 60.5 m -61.29 -44.27 97.5 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 114.635 1.346 . . . . 0.0 114.635 -176.868 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . 0.261 0.9 OUTLIER -73.89 -6.74 49.03 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 115.005 1.483 . . . . 0.0 115.005 178.941 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -78.69 -51.01 10.44 Favored 'General case' 0 CA--C 1.548 0.88 0 CA-C-N 121.277 1.853 . . . . 0.0 110.059 166.146 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.545 ' O ' HD12 ' A' ' 41' ' ' ILE . 45.4 ttt180 -55.94 -46.42 78.51 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 114.765 -1.107 . . . . 0.0 111.475 169.326 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . 0.258 . . -92.12 16.68 10.82 Favored 'General case' 0 CA--C 1.55 0.968 0 N-CA-C 116.964 2.209 . . . . 0.0 116.964 171.285 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -74.4 -38.97 62.96 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 118.939 -2.351 . . . . 0.0 112.152 140.31 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 78.3 mtt85 -68.23 -44.4 75.8 Favored 'General case' 0 CA--C 1.55 0.963 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 171.111 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.545 HD12 ' O ' ' A' ' 37' ' ' ARG . 3.4 mp -73.08 83.62 0.43 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.902 0 CA-C-O 127.055 3.312 . . . . 0.0 112.012 162.12 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 62.1 pttt -98.52 10.8 40.11 Favored 'General case' 0 CA--C 1.546 0.812 1 CA-C-N 107.45 -4.432 . . . . 0.0 115.635 -173.207 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 64.6 mt -66.46 -39.99 85.39 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.876 0 N-CA-C 114.087 1.143 . . . . 0.0 114.087 -165.656 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -173.96 166.81 39.09 Favored Glycine 0 CA--C 1.547 2.057 0 CA-C-N 120.69 1.586 . . . . 0.0 116.965 175.85 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_exo -53.69 -49.62 16.61 Favored 'Trans proline' 0 C--N 1.361 1.22 0 C-N-CA 125.248 3.965 . . . . 0.0 115.882 174.48 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.0 mtpp -59.62 -32.82 70.77 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 171.596 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 15.0 t -67.21 -61.04 2.11 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 116.899 -1.524 . . . . 0.0 109.905 176.375 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -49.74 -40.19 15.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 CA-C-N 121.066 1.757 . . . . 0.0 115.094 171.306 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -63.91 -55.25 24.01 Favored 'General case' 0 CA--C 1.548 0.885 0 CA-C-O 117.217 -1.373 . . . . 0.0 113.523 172.634 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.49 -47.08 63.34 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 120.979 1.718 . . . . 0.0 110.714 172.562 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.513 ' CE2' HD13 ' A' ' 41' ' ' ILE . 3.3 t80 -56.01 -54.71 41.58 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.112 1.365 . . . . 0.0 112.932 175.198 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 55.4 tptt -63.66 -36.83 85.13 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 118.979 0.808 . . . . 0.0 113.014 -179.666 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -65.28 -48.16 74.16 Favored 'General case' 0 CA--C 1.549 0.904 0 O-C-N 120.992 -1.067 . . . . 0.0 112.706 174.788 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 8.8 m -64.09 -31.24 72.36 Favored 'General case' 0 CA--C 1.55 0.957 0 N-CA-C 114.818 1.414 . . . . 0.0 114.818 169.938 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 53.2 t -58.16 -42.61 86.36 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 121.033 1.742 . . . . 0.0 112.395 163.786 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -58.41 -45.97 87.36 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-O 116.8 -1.571 . . . . 0.0 113.802 169.587 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.479 2.1 pp -69.81 -28.16 35.92 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 CA-C-N 123.015 2.643 . . . . 0.0 115.259 171.544 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.71 -39.85 86.0 Favored 'General case' 0 CA--C 1.551 0.999 0 CA-C-N 120.864 1.665 . . . . 0.0 113.274 167.218 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 -64.86 -41.72 95.45 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 113.647 0.98 . . . . 0.0 113.647 167.779 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 26.8 tp60 -62.48 -38.95 91.82 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 123.471 0.708 . . . . 0.0 112.905 174.528 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 78.6 t -61.79 -42.68 95.42 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.811 0 CA-C-N 118.858 0.753 . . . . 0.0 112.707 168.582 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 58.5 mtt85 -61.0 -36.29 79.1 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 114.619 1.34 . . . . 0.0 114.619 170.261 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.1 -58.44 3.56 Favored 'General case' 0 CA--C 1.546 0.821 0 CA-C-N 119.278 0.945 . . . . 0.0 113.29 169.544 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -81.81 68.52 8.22 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-O 123.238 1.494 . . . . 0.0 113.931 -177.164 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -93.58 130.23 39.55 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-N 114.762 -1.108 . . . . 0.0 113.585 172.026 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . . . . . . . . 1 C--N 1.23 -4.592 0 O-C-N 122.046 -0.409 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 33.6 mmt . . . . . 0 CA--C 1.547 0.85 0 N-CA-C 115.48 1.659 . . . . 0.0 115.48 . . . . . . . . . 0 0 . 1 . 041 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 11.3 mp -71.26 48.06 0.13 Allowed 'General case' 0 CA--C 1.559 1.327 0 N-CA-C 116.795 2.146 . . . . 0.0 116.795 -173.3 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -57.6 -53.13 61.61 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.055 1.342 . . . . 0.0 113.102 -174.466 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.6 -38.04 74.24 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.395 1.078 . . . . 0.0 113.498 -177.212 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.3 mtpm? -66.38 -49.81 65.61 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-O 118.428 -0.796 . . . . 0.0 112.698 175.419 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.7 mp -64.76 -40.13 88.0 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 CA-C-N 119.87 1.214 . . . . 0.0 110.944 173.1 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -57.43 -52.51 65.06 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-O 117.619 -1.181 . . . . 0.0 112.423 173.639 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.96 -16.04 63.14 Favored 'General case' 0 CA--C 1.55 0.96 0 CA-C-N 122.927 2.603 . . . . 0.0 115.262 177.152 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -89.97 -38.03 13.93 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 115.859 1.8 . . . . 0.0 115.859 166.503 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -105.82 26.12 10.01 Favored 'General case' 0 CA--C 1.553 1.06 1 N-CA-C 121.93 4.048 . . . . 0.0 121.93 169.296 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.56 27.07 0.0 OUTLIER 'General case' 0 CA--C 1.556 1.176 0 N-CA-C 120.542 3.534 . . . . 0.0 120.542 -177.21 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 98.9 mttt 51.33 47.45 24.82 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 126.65 1.98 . . . . 0.0 112.976 -174.803 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 5.0 p90 -117.54 -146.52 0.4 Allowed 'General case' 0 CA--C 1.549 0.92 0 CA-C-N 115.033 -0.985 . . . . 0.0 111.962 -156.401 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -72.02 -44.23 63.73 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.248 1.419 . . . . 0.0 112.125 -174.551 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -97.98 70.64 2.13 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-O 124.093 1.901 . . . . 0.0 112.691 -177.981 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.77 -35.06 75.48 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 111.377 -2.647 . . . . 0.0 114.014 176.165 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 47.4 mtm -66.6 -32.46 73.8 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.358 1.063 . . . . 0.0 113.139 173.865 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 47.1 mt -87.85 -35.99 17.46 Favored 'General case' 0 CA--C 1.542 0.643 0 O-C-N 121.67 -0.644 . . . . 0.0 111.295 -177.909 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 46.9 tttp -48.7 -43.26 36.96 Favored 'General case' 0 CA--C 1.553 1.088 0 N-CA-C 115.087 1.514 . . . . 0.0 115.087 150.303 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.58 -25.77 66.79 Favored 'General case' 0 CA--C 1.557 1.246 0 O-C-N 118.816 -2.428 . . . . 0.0 112.967 170.399 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 92.8 m -62.18 -40.33 95.66 Favored 'General case' 0 N--CA 1.478 0.929 0 O-C-N 119.555 -1.966 . . . . 0.0 114.226 161.04 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -49.45 -52.85 26.28 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 118.913 0.779 . . . . 0.0 110.807 162.521 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.25 3.9 m-30 -73.06 -26.12 61.17 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 113.956 1.095 . . . . 0.0 113.956 -174.733 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.99 -36.74 75.4 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.503 1.121 . . . . 0.0 113.461 161.275 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -74.56 -39.36 41.69 Favored Glycine 0 CA--C 1.533 1.214 0 N-CA-C 115.7 1.04 . . . . 0.0 115.7 168.244 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.96 -41.95 97.43 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 114.493 1.294 . . . . 0.0 114.493 177.953 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 77.7 m-85 -73.72 70.37 1.38 Allowed 'General case' 0 CA--C 1.55 0.947 0 CA-C-O 123.032 1.396 . . . . 0.0 112.879 173.882 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.7 ttp180 -123.14 147.55 46.69 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-N 115.176 -0.92 . . . . 0.0 112.815 -179.644 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 21.7 m-80 -113.68 -134.17 0.35 Allowed 'General case' 0 CA--C 1.553 1.078 0 O-C-N 120.785 -1.197 . . . . 0.0 110.996 -178.629 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -70.66 5.12 2.02 Favored 'General case' 0 CA--C 1.548 0.897 0 O-C-N 119.39 -2.069 . . . . 0.0 115.794 166.431 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.4 p-10 -80.79 66.73 6.42 Favored 'General case' 0 CA--C 1.551 0.984 0 O-C-N 119.471 -2.018 . . . . 0.0 111.943 174.228 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -56.89 -16.87 7.6 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 116.311 1.967 . . . . 0.0 116.311 -177.474 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 17.8 p -82.11 70.59 9.06 Favored 'General case' 0 CA--C 1.543 0.684 0 O-C-N 119.802 -1.811 . . . . 0.0 112.48 -178.22 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 57.1 m -57.63 -44.1 85.32 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 113.09 -1.868 . . . . 0.0 114.342 -176.96 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 46.2 mp0 -70.07 -23.89 63.15 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 113.545 0.943 . . . . 0.0 113.545 177.61 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -71.57 -53.1 14.87 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 119.373 0.988 . . . . 0.0 110.859 170.866 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.596 ' O ' HD12 ' A' ' 41' ' ' ILE . 55.4 ttt180 -54.87 -48.73 72.58 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 114.516 -1.22 . . . . 0.0 111.309 171.761 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -89.48 11.22 20.01 Favored 'General case' 0 CA--C 1.552 1.045 0 N-CA-C 117.082 2.253 . . . . 0.0 117.082 174.432 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.8 -38.94 64.44 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 119.149 -2.219 . . . . 0.0 111.802 145.783 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 34.0 mtp180 -66.81 -43.6 83.4 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 113.061 0.763 . . . . 0.0 113.061 169.6 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.596 HD12 ' O ' ' A' ' 37' ' ' ARG . 3.5 mp -75.47 82.5 0.61 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.844 0 CA-C-O 127.093 3.33 . . . . 0.0 112.52 164.104 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.42 22.81 11.1 Favored 'General case' 0 CA--C 1.548 0.891 1 CA-C-N 107.673 -4.33 . . . . 0.0 114.883 -174.39 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 46.6 mm -71.41 -44.24 72.01 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 O-C-N 121.15 -0.969 . . . . 0.0 113.467 -169.344 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -173.05 164.03 35.89 Favored Glycine 0 CA--C 1.545 1.95 0 CA-C-O 118.051 -1.416 . . . . 0.0 116.038 176.916 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_exo -52.95 -50.68 13.22 Favored 'Trans proline' 0 C--N 1.361 1.223 0 C-N-CA 125.238 3.958 . . . . 0.0 116.395 178.35 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 38.5 tttm -68.87 -25.04 64.42 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 123.267 0.627 . . . . 0.0 111.83 175.938 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 43.9 t -65.54 -60.0 3.39 Favored 'General case' 0 C--N 1.349 0.58 0 CA-C-O 117.707 -1.14 . . . . 0.0 111.11 171.097 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -50.52 -41.05 19.6 Favored 'Isoleucine or valine' 0 C--N 1.352 0.694 0 N-CA-C 114.678 1.362 . . . . 0.0 114.678 170.291 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.09 -47.87 75.7 Favored 'General case' 0 CA--C 1.554 1.115 0 N-CA-C 115.278 1.585 . . . . 0.0 115.278 174.318 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.33 -46.43 79.92 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 120.519 1.509 . . . . 0.0 111.067 168.206 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.563 ' CE2' HD13 ' A' ' 41' ' ' ILE . 3.4 t80 -54.63 -52.38 62.45 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.923 1.289 . . . . 0.0 112.489 174.838 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -61.66 -41.59 97.74 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 113.288 0.847 . . . . 0.0 113.288 178.864 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -61.19 -47.73 84.78 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 114.183 1.179 . . . . 0.0 114.183 172.082 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 18.1 m -66.42 -29.58 69.76 Favored 'General case' 0 CA--C 1.552 1.026 0 N-CA-C 115.862 1.801 . . . . 0.0 115.862 170.991 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 35.8 t -57.69 -43.03 84.84 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 121.539 1.972 . . . . 0.0 112.017 162.903 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -58.35 -45.64 87.8 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 115.585 -2.15 . . . . 0.0 113.254 168.96 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.504 1.9 pp -70.85 -26.75 28.44 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 CA-C-N 124.403 3.274 . . . . 0.0 115.706 171.302 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.86 -50.6 70.16 Favored 'General case' 0 CA--C 1.548 0.873 0 CA-C-N 122.199 2.272 . . . . 0.0 112.159 167.141 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 71.3 m-80 -66.66 -38.57 87.12 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 173.628 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -67.85 -44.28 77.52 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-O 116.158 -1.877 . . . . 0.0 114.284 171.167 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.8 p -66.36 -25.91 36.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 CA-C-N 123.836 3.016 . . . . 0.0 112.752 176.806 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 44.7 ttt180 -62.13 -32.25 72.81 Favored 'General case' 0 CA--C 1.552 1.053 0 O-C-N 121.319 -0.863 . . . . 0.0 113.244 165.835 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -95.29 -45.92 6.95 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 114.273 1.212 . . . . 0.0 114.273 175.821 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -73.92 60.42 0.74 Allowed 'General case' 0 CA--C 1.553 1.093 0 O-C-N 120.354 -1.466 . . . . 0.0 113.468 -177.591 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -142.37 144.62 33.24 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 114.498 1.296 . . . . 0.0 114.498 179.056 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . . . . . . . . 1 C--N 1.231 -4.581 0 O-C-N 122.009 -0.432 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 76.7 mt . . . . . 0 N--CA 1.48 1.071 0 CA-C-O 118.769 -0.634 . . . . 0.42999999999999999 110.088 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.32 -49.65 73.71 Favored 'General case' 0 C--O 1.219 -0.504 0 CA-C-O 116.412 -1.756 . . . . 1.25 111.966 176.292 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -62.65 -29.19 70.44 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 123.844 3.02 . . . . 1.3300000000000001 115.066 177.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 -82.58 -57.79 3.19 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 121.299 1.863 . . . . 0.91000000000000003 112.804 168.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.4 3.53 3.69 Favored 'General case' 0 CA--C 1.556 1.205 0 N-CA-C 117.926 2.565 . . . . 0.0 117.926 173.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.72 -50.63 14.77 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 117.859 -3.026 . . . . 0.0 113.035 157.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.7 pttm -82.61 63.82 6.94 Favored 'General case' 0 CA--C 1.549 0.933 0 CA-C-O 123.642 1.687 . . . . 1.0800000000000001 112.313 -174.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -52.97 -12.84 0.36 Allowed 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 116.956 2.206 . . . . 1.49 116.956 179.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -61.73 -32.74 72.98 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.105 0.962 . . . . 1.55 112.635 162.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 -88.72 67.14 8.29 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-O 125.147 2.403 . . . . 0.92000000000000004 110.895 174.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.76 -45.47 85.87 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 108.925 -3.762 . . . . 0.0 114.978 -169.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 63.7 mtp -65.69 -39.24 91.05 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.543 0.737 . . . . 1.02 112.889 177.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -73.89 -45.48 50.56 Favored 'General case' 0 C--O 1.239 0.501 0 C-N-CA 124.372 1.069 . . . . 0.39000000000000001 113.532 -178.16 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.25 -30.39 71.27 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-O 118.179 -0.915 . . . . 1.0600000000000001 112.93 166.025 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.4 tmtm? -69.61 -30.09 67.76 Favored 'General case' 0 CA--C 1.548 0.891 0 CA-C-N 122.438 2.381 . . . . 0.90000000000000002 111.337 168.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 96.5 m -56.4 -42.24 77.64 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 122.963 2.62 . . . . 0.41999999999999998 113.452 163.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -48.87 -53.75 18.19 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 122.939 0.496 . . . . 0.059999999999999998 111.501 163.401 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.414 ' HA ' ' HB3' ' A' ' 26' ' ' ALA 0.294 5.3 m-30 -71.71 -28.27 63.58 Favored 'General case' 0 CA--C 1.549 0.924 0 N-CA-C 113.776 1.028 . . . . 0.12 113.776 -175.466 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -57.6 -38.27 74.62 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.618 1.167 . . . . 0.71999999999999997 113.41 162.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -68.16 -39.44 88.39 Favored Glycine 0 CA--C 1.536 1.393 0 N-CA-C 114.649 0.62 . . . . 0.0 114.649 165.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.414 ' HB3' ' HA ' ' A' ' 23' ' ' TYR . . . -69.17 -27.41 65.5 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 115.927 1.825 . . . . 0.0 115.927 179.019 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -68.41 60.66 0.09 Allowed 'General case' 0 CA--C 1.562 1.405 0 CA-C-N 123.421 2.828 . . . . 1.75 112.088 171.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.1 tpt180 -77.36 76.73 3.9 Favored 'General case' 0 CA--C 1.546 0.819 0 O-C-N 119.092 -2.255 . . . . 1.73 112.587 -178.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 31.7 m120 -114.35 -7.33 12.92 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 112.857 -1.974 . . . . 1.27 112.929 169.201 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -73.73 -36.29 65.16 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 113.896 1.073 . . . . 1.1200000000000001 113.896 175.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 62.32 -25.1 0.05 Allowed 'General case' 0 CA--C 1.549 0.937 0 N-CA-C 117.211 2.301 . . . . 1.21 117.211 179.066 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.62 -148.58 0.01 OUTLIER 'General case' 0 CA--C 1.562 1.441 0 N-CA-C 115.722 1.749 . . . . 1.46 115.722 166.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 69.3 m -97.0 96.72 8.69 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 117.945 -2.972 . . . . 0.71999999999999997 111.459 -166.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 23.9 p -60.58 -31.73 70.85 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 114.829 1.418 . . . . 0.51000000000000001 114.829 -177.074 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -70.97 -21.06 62.37 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 114.844 1.424 . . . . 1.3500000000000001 114.844 174.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -74.51 -42.53 58.76 Favored 'General case' 0 CA--C 1.548 0.88 0 CA-C-N 120.381 1.446 . . . . 1.46 110.208 169.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.582 ' O ' HD12 ' A' ' 41' ' ' ILE . 38.9 mmt180 -62.9 -41.69 99.52 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 114.965 -1.016 . . . . 1.6799999999999999 111.79 169.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . 0.264 . . -83.31 3.37 31.78 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 116.954 2.205 . . . . 0.0 116.954 169.155 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.07 -37.63 75.53 Favored 'General case' 0 CA--C 1.546 0.796 0 O-C-N 119.163 -2.211 . . . . 0.0 112.137 146.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 81.7 mtt85 -69.88 -42.87 72.88 Favored 'General case' 0 CA--C 1.553 1.065 0 N-CA-C 113.948 1.092 . . . . 1.5800000000000001 113.948 168.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.582 HD12 ' O ' ' A' ' 37' ' ' ARG . 3.1 mp -71.38 83.11 0.29 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.98 0 CA-C-O 127.26 3.409 . . . . 0.14999999999999999 112.601 164.607 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.1 pttm -101.37 16.7 24.76 Favored 'General case' 0 CA--C 1.547 0.846 1 CA-C-N 107.416 -4.447 . . . . 1.4399999999999999 115.066 -174.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 49.0 mm -64.59 -35.74 75.49 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.837 0 C-N-CA 124.379 1.072 . . . . 0.41999999999999998 113.612 -169.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -171.84 160.3 32.0 Favored Glycine 0 CA--C 1.545 1.948 0 CA-C-O 118.102 -1.388 . . . . 0.0 115.262 173.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -52.18 -48.93 19.22 Favored 'Trans proline' 0 C--N 1.362 1.254 0 C-N-CA 124.956 3.771 . . . . 0.0 115.189 173.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 40.3 mttm -60.76 -34.25 74.17 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 113.9 1.074 . . . . 0.93000000000000005 113.9 172.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 42.3 t -64.39 -56.51 13.87 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-O 117.657 -1.163 . . . . 0.22 111.356 175.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -51.39 -45.41 33.56 Favored 'Isoleucine or valine' 0 C--N 1.349 0.584 0 N-CA-C 114.757 1.392 . . . . 0.080000000000000002 114.757 169.446 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -58.58 -52.38 65.92 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 114.991 1.478 . . . . 1.3999999999999999 114.991 174.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.61 -52.11 56.86 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.45 1.1 . . . . 0.0 110.739 171.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.523 ' CE2' HD13 ' A' ' 41' ' ' ILE . 2.2 t80 -54.76 -54.05 47.08 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.113 1.365 . . . . 0.20000000000000001 112.521 177.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 65.2 tttp -61.42 -47.08 87.4 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.469 1.108 . . . . 1.29 113.379 -178.017 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -69.13 -43.35 74.55 Favored 'General case' 0 C--O 1.244 0.806 0 CA-C-N 120.13 1.332 . . . . 0.63 113.528 179.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.3 m -58.37 -45.65 87.85 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-O 116.818 -1.563 . . . . 0.070000000000000007 113.012 169.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 51.8 t -57.87 -45.76 85.85 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-N 121.246 1.839 . . . . 0.28999999999999998 112.701 172.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 20.5 m-30 -59.5 -46.77 87.85 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 121.088 1.767 . . . . 1.8500000000000001 113.991 176.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 19.2 mm -64.88 -41.88 93.35 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 CA-C-N 120.395 1.452 . . . . 0.63 113.309 173.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.85 -43.79 97.85 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 113.755 1.02 . . . . 0.0 113.755 174.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -61.72 -46.33 90.1 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.406 1.082 . . . . 0.87 112.767 172.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -68.62 -32.99 73.26 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 114.505 1.298 . . . . 1.1699999999999999 114.505 177.258 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . 0.269 31.4 m -72.64 -32.94 43.05 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.722 0 CA-C-N 122.084 2.22 . . . . 0.40999999999999998 113.479 164.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 7.9 tpp180 -64.2 -36.59 84.55 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 121.514 1.961 . . . . 1.96 113.73 170.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.5 -26.4 65.26 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 114.22 1.193 . . . . 0.0 114.22 168.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 . . . . . 0 CA--C 1.547 0.865 0 C-N-CA 123.887 0.875 . . . . 1.1899999999999999 112.069 170.142 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 39.1 mt . . . . . 0 N--CA 1.48 1.061 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -59.29 -63.41 1.31 Allowed 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 116.707 -1.616 . . . . 0.0 112.168 172.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -68.08 -20.26 64.94 Favored 'General case' 0 CA--C 1.55 0.961 0 CA-C-N 124.064 3.12 . . . . 0.0 114.602 -175.17 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -87.21 -61.88 1.63 Allowed 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 122.071 2.214 . . . . 0.0 112.138 167.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.67 0.08 13.92 Favored 'General case' 0 CA--C 1.555 1.172 0 N-CA-C 118.032 2.604 . . . . 0.0 118.032 176.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.57 -49.2 19.31 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 124.46 3.3 . . . . 0.0 112.006 155.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -80.53 70.16 7.18 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-O 122.594 1.188 . . . . 0.0 111.33 -177.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.6 m-30 -55.49 -8.68 0.38 Allowed 'General case' 0 CA--C 1.552 1.038 0 N-CA-C 116.198 1.925 . . . . 0.0 116.198 173.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -61.36 -34.36 75.18 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 124.705 1.202 . . . . 0.0 112.586 160.034 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 11.1 m-30 -80.73 60.71 4.12 Favored 'General case' 0 CA--C 1.549 0.923 0 O-C-N 120.144 -1.598 . . . . 0.0 110.504 174.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.14 -50.09 67.75 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 115.443 1.646 . . . . 0.0 115.443 -166.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 47.8 mtm -66.44 -32.26 73.53 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 175.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 52.3 mt -83.87 -39.67 19.59 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.591 0.756 . . . . 0.0 112.171 -173.482 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.73 -29.42 67.83 Favored 'General case' 0 CA--C 1.546 0.803 0 O-C-N 121.021 -1.049 . . . . 0.0 112.2 164.367 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.7 tmtt? -63.07 -37.8 88.63 Favored 'General case' 0 CA--C 1.548 0.866 0 CA-C-N 121.818 2.099 . . . . 0.0 110.753 164.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 86.5 m -55.34 -40.96 71.86 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 122.694 2.497 . . . . 0.0 114.03 166.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -51.12 -55.99 14.96 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 118.74 0.7 . . . . 0.0 112.09 163.788 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 7.2 m-30 -73.53 -24.39 60.12 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 114.208 1.188 . . . . 0.0 114.208 -172.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.69 -54.33 47.4 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.489 1.516 . . . . 0.0 110.917 160.376 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.87 -37.83 95.54 Favored Glycine 0 CA--C 1.535 1.283 0 N-CA-C 115.32 0.888 . . . . 0.0 115.32 174.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.29 -38.26 86.16 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 118.449 1.125 . . . . 0.0 113.023 172.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 35.1 t80 -71.69 74.11 0.81 Allowed 'General case' 0 CA--C 1.555 1.157 0 CA-C-O 123.158 1.456 . . . . 0.0 112.158 168.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.407 ' NE ' HD21 ' A' ' 59' ' ' ASN . 8.5 mmm180 -76.14 83.08 2.97 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-O 123.054 1.407 . . . . 0.0 113.512 169.051 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.4 ' ND2' ' H ' ' A' ' 29' ' ' ASN . 3.0 p30 -86.02 -36.3 19.82 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 114.297 -1.32 . . . . 0.0 113.498 171.004 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -63.61 -16.55 61.2 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 118.197 2.666 . . . . 0.0 118.197 -171.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 63.06 -50.43 0.2 Allowed 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 116.485 2.032 . . . . 0.0 116.485 177.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -73.0 -118.52 0.0 OUTLIER 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 125.13 1.372 . . . . 0.0 113.848 178.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 21.7 p -107.07 124.66 49.98 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 117.949 -2.969 . . . . 0.0 113.38 -179.284 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 22.1 p -68.27 -21.36 64.8 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 174.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 54.8 mp0 -63.31 -36.47 83.79 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.819 1.248 . . . . 0.0 113.9 177.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -69.65 -46.29 66.48 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 119.964 1.256 . . . . 0.0 112.649 174.09 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.523 ' O ' HD12 ' A' ' 41' ' ' ILE . 64.6 ttt180 -54.38 -51.03 66.1 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 114.858 -1.064 . . . . 0.0 111.755 168.659 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -80.67 -2.84 48.33 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 116.786 2.143 . . . . 0.0 116.786 174.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.17 -26.93 63.19 Favored 'General case' 0 CA--C 1.545 0.769 0 O-C-N 119.357 -2.089 . . . . 0.0 113.113 151.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.44 -43.87 59.4 Favored 'General case' 0 CA--C 1.552 1.035 0 CA-C-N 120.189 1.358 . . . . 0.0 114.337 159.783 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.533 HD13 ' CE2' ' A' ' 51' ' ' PHE 0.291 3.3 mp -70.47 83.17 0.23 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.965 0 CA-C-O 126.94 3.257 . . . . 0.0 114.237 171.817 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 66.4 mmtt -102.74 27.98 6.51 Favored 'General case' 0 CA--C 1.547 0.855 1 CA-C-N 108.069 -4.15 . . . . 0.0 115.137 -178.717 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 47.7 mm -68.29 -35.31 70.52 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.912 0 O-C-N 120.68 -1.262 . . . . 0.0 112.765 -177.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -176.34 164.47 34.32 Favored Glycine 0 CA--C 1.547 2.053 0 CA-C-O 118.371 -1.238 . . . . 0.0 115.596 173.109 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.519 ' O ' ' HG2' ' A' ' 49' ' ' LYS . 70.0 Cg_exo -54.33 -47.91 24.34 Favored 'Trans proline' 0 C--N 1.359 1.128 0 C-N-CA 124.857 3.704 . . . . 0.0 115.708 174.071 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 15.5 mttm -62.24 -33.21 74.17 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.176 1.39 . . . . 0.0 113.826 172.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 27.3 t -63.37 -58.06 8.32 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.923 0.889 . . . . 0.0 111.263 172.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.419 ' O ' ' HB2' ' A' ' 52' ' ' LYS 0.288 0.0 OUTLIER -53.61 -34.35 23.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 N-CA-C 115.688 1.736 . . . . 0.0 115.688 172.557 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.519 ' HG2' ' O ' ' A' ' 45' ' ' PRO . 33.3 mmtm -64.77 -54.05 37.39 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-N 120.039 1.291 . . . . 0.0 113.985 169.026 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -50.79 -50.41 56.23 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.831 1.252 . . . . 0.0 110.866 173.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.533 ' CE2' HD13 ' A' ' 41' ' ' ILE . 2.8 t80 -54.92 -54.72 38.97 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.045 1.338 . . . . 0.0 112.132 176.433 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.419 ' HB2' ' O ' ' A' ' 48' ' ' VAL . 0.0 OUTLIER -63.08 -44.1 96.67 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 -176.222 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -70.09 -45.46 66.92 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 113.178 0.807 . . . . 0.0 113.178 -178.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 2.0 m -59.14 -41.27 87.88 Favored 'General case' 0 CA--C 1.55 0.951 0 CA-C-O 117.234 -1.365 . . . . 0.0 113.855 166.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 20.3 t -55.81 -47.83 76.47 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 121.681 2.037 . . . . 0.0 113.941 171.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -66.91 -36.82 83.14 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 177.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 17.1 mm -67.4 -37.73 79.49 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 CA-C-N 120.561 1.528 . . . . 0.0 113.84 167.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.13 -43.62 82.55 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 169.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.407 HD21 ' NE ' ' A' ' 28' ' ' ARG . 64.3 m-80 -67.48 -33.94 76.14 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 114.77 1.396 . . . . 0.0 114.77 170.491 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -61.09 -43.24 99.18 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 119.974 1.261 . . . . 0.0 112.075 167.14 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 97.9 t -60.75 -43.55 95.46 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.824 0 C-N-CA 123.883 0.873 . . . . 0.0 112.793 171.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 45.6 mtt-85 -58.43 -35.91 72.82 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 169.023 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.4 -52.84 12.35 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 114.285 1.217 . . . . 0.0 114.285 172.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 . . . . . 0 CA--C 1.555 1.137 0 CA-C-O 124.077 1.894 . . . . 0.0 114.411 -177.192 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 73.5 mt . . . . . 0 N--CA 1.478 0.943 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -59.06 -37.76 77.8 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-O 117.378 -1.296 . . . . 0.0 113.524 177.035 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -67.52 -37.32 82.6 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 122.442 2.383 . . . . 0.0 114.37 172.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -86.43 -48.35 8.51 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 121.076 1.762 . . . . 0.0 113.794 174.261 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.11 4.37 2.78 Favored 'General case' 0 CA--C 1.554 1.104 0 N-CA-C 115.861 1.801 . . . . 0.0 115.861 167.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.84 -44.07 74.16 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 118.537 -2.602 . . . . 0.0 112.544 150.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 38.4 mttp -83.05 66.98 8.93 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-O 122.739 1.257 . . . . 0.0 110.936 -171.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -63.61 -13.54 43.14 Favored 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 114.482 1.289 . . . . 0.0 114.482 171.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.3 tmtt? -64.81 -40.46 95.26 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 124.726 1.21 . . . . 0.0 111.295 161.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -92.75 69.49 4.72 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-O 125.875 2.75 . . . . 0.0 110.617 174.063 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.5 -39.55 70.62 Favored 'General case' 0 CA--C 1.536 0.429 1 CA-C-N 107.8 -4.273 . . . . 0.0 114.174 -173.619 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 32.8 ttm -65.41 -36.51 84.18 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.377 1.071 . . . . 0.0 112.924 175.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 75.9 mt -82.76 -42.02 18.48 Favored 'General case' 0 C--O 1.24 0.604 0 O-C-N 121.183 -0.948 . . . . 0.0 112.524 -175.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.66 -29.32 69.87 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 119.052 -1.059 . . . . 0.0 112.851 164.001 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.9 tptp -63.87 -38.3 90.6 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 121.945 2.157 . . . . 0.0 111.292 166.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 99.4 m -52.84 -42.74 65.45 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 122.157 2.253 . . . . 0.0 113.491 166.361 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -51.05 -53.73 31.12 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 118.349 0.522 . . . . 0.0 112.181 163.672 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.289 6.5 m-30 -73.46 -25.9 60.69 Favored 'General case' 0 CA--C 1.554 1.114 0 N-CA-C 114.466 1.284 . . . . 0.0 114.466 -173.073 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -59.25 -41.95 89.96 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.005 1.322 . . . . 0.0 112.599 161.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.22 -40.55 92.33 Favored Glycine 0 CA--C 1.537 1.431 0 CA-C-O 118.952 -0.915 . . . . 0.0 114.622 167.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.92 -42.33 98.96 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 119.329 1.565 . . . . 0.0 114.104 178.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . 0.319 1.4 p90 -95.08 60.96 2.41 Favored 'General case' 0 CA--C 1.55 0.973 0 CA-C-N 121.58 1.991 . . . . 0.0 114.19 167.452 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.28 102.54 5.01 Favored 'General case' 0 CA--C 1.547 0.853 0 O-C-N 121.458 -0.776 . . . . 0.0 110.439 178.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -146.98 19.41 1.26 Allowed 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 114.972 1.471 . . . . 0.0 114.972 -177.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 16.9 p-10 -75.67 59.41 1.17 Allowed 'General case' 0 CA--C 1.555 1.135 0 N-CA-C 115.323 1.601 . . . . 0.0 115.323 -171.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 66.31 -53.91 0.41 Allowed 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 127.102 2.161 . . . . 0.0 115.68 172.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 60.2 mt-10 -73.04 174.09 8.39 Favored 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 124.242 1.017 . . . . 0.0 113.691 174.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.1 t -93.96 161.37 14.32 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 119.604 -1.935 . . . . 0.0 114.54 -168.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 94.0 m -59.77 -39.61 85.44 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 113.622 -1.626 . . . . 0.0 114.128 -171.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -65.5 -26.28 67.85 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 113.534 0.938 . . . . 0.0 113.534 -174.283 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -65.98 -55.6 15.94 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-O 123.437 1.589 . . . . 0.0 111.355 175.142 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.616 ' O ' HD12 ' A' ' 41' ' ' ILE . 9.2 mpt_? -63.89 -47.1 81.98 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 112.653 -2.067 . . . . 0.0 110.039 177.74 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -81.63 -0.13 41.08 Favored 'General case' 0 CA--C 1.551 1.012 0 N-CA-C 116.585 2.068 . . . . 0.0 116.585 175.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.58 -32.09 67.67 Favored 'General case' 0 CA--C 1.54 0.596 0 O-C-N 119.263 -2.148 . . . . 0.0 112.53 150.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 41.2 mmt180 -71.29 -44.14 65.79 Favored 'General case' 0 CA--C 1.552 1.037 0 N-CA-C 113.673 0.99 . . . . 0.0 113.673 165.003 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.616 HD12 ' O ' ' A' ' 37' ' ' ARG 0.293 3.2 mp -73.59 83.07 0.46 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.92 0 CA-C-O 126.587 3.089 . . . . 0.0 113.801 172.68 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 47.4 mttp -100.85 21.06 14.21 Favored 'General case' 0 CA--C 1.548 0.897 1 CA-C-N 108.191 -4.095 . . . . 0.0 115.655 -179.129 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 78.4 mt -65.04 -37.09 79.36 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.937 0 O-C-N 120.49 -1.381 . . . . 0.0 113.441 -172.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -175.96 163.83 33.57 Favored Glycine 0 CA--C 1.546 1.992 0 CA-C-O 117.887 -1.507 . . . . 0.0 115.411 173.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_exo -53.36 -48.47 21.8 Favored 'Trans proline' 0 C--N 1.36 1.157 0 C-N-CA 125.028 3.819 . . . . 0.0 115.76 175.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 22.8 mttm -64.98 -28.8 69.76 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 113.981 1.104 . . . . 0.0 113.981 173.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 38.7 t -66.55 -58.58 4.91 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 117.462 -1.256 . . . . 0.0 111.243 171.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -52.56 -39.34 29.27 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 N-CA-C 115.292 1.59 . . . . 0.0 115.292 171.097 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.3 ttmt -56.6 -56.48 20.83 Favored 'General case' 0 CA--C 1.55 0.976 0 CA-C-N 120.278 1.399 . . . . 0.0 113.539 170.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.78 -51.16 64.33 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.294 1.038 . . . . 0.0 111.173 173.333 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.567 ' CE2' HD13 ' A' ' 41' ' ' ILE . 2.9 t80 -55.35 -58.77 6.36 Favored 'General case' 0 C--N 1.347 0.495 0 C-N-CA 124.682 1.193 . . . . 0.0 111.684 177.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.413 ' O ' ' HD1' ' A' ' 56' ' ' TYR . 24.6 mtpp -61.77 -39.27 91.06 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 117.369 -1.301 . . . . 0.0 113.845 -177.678 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -68.24 -48.55 64.8 Favored 'General case' 0 C--O 1.244 0.773 0 CA-C-N 121.604 2.002 . . . . 0.0 114.047 176.023 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.2 m -59.59 -41.76 90.99 Favored 'General case' 0 CA--C 1.551 0.996 0 N-CA-C 113.682 0.993 . . . . 0.0 113.682 171.108 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 7.9 t -65.07 -41.86 94.67 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 119.826 1.194 . . . . 0.0 113.355 176.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.413 ' HD1' ' O ' ' A' ' 52' ' ' LYS . 35.6 m-85 -64.84 -36.4 84.22 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-O 117.329 -1.319 . . . . 0.0 113.104 172.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 21.9 mm -60.89 -45.55 98.01 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 CA-C-N 121.083 1.765 . . . . 0.0 113.135 166.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.56 -44.92 81.41 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 113.636 0.976 . . . . 0.0 113.636 172.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -65.05 -38.15 89.9 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 123.858 0.863 . . . . 0.0 112.986 172.018 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -64.33 -41.03 97.0 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 120.537 1.517 . . . . 0.0 113.315 170.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 90.5 t -62.04 -40.67 88.23 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.819 0 CA-C-N 119.651 1.114 . . . . 0.0 112.427 170.223 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 13.3 tpt180 -61.69 -42.43 98.93 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-N 119.204 0.911 . . . . 0.0 113.314 169.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.7 -54.21 14.88 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 114.383 1.253 . . . . 0.0 114.383 173.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 . . . . . 0 CA--C 1.549 0.937 0 CA-C-N 120.523 1.51 . . . . 0.0 113.404 -174.983 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.3 mp . . . . . 0 N--CA 1.483 1.177 0 CA-C-O 118.937 -0.554 . . . . 0.0 109.521 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.26 -32.2 70.94 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-O 116.458 -1.735 . . . . 0.0 114.299 175.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 72.9 mt-10 -66.41 -59.07 4.02 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 123.755 2.98 . . . . 0.0 114.051 167.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -67.67 -45.19 75.95 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 120.092 1.314 . . . . 0.0 113.041 -176.51 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.55 -1.58 22.05 Favored 'General case' 0 CA--C 1.558 1.28 0 N-CA-C 116.7 2.111 . . . . 0.0 116.7 164.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.52 -42.46 35.48 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 125.343 3.701 . . . . 0.0 112.682 151.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 52.0 mtpt -68.27 54.38 0.07 Allowed 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 125.143 1.377 . . . . 0.0 113.867 178.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -57.56 -26.93 62.16 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 115.729 1.751 . . . . 0.0 115.729 -178.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.38 -30.94 68.78 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.938 1.295 . . . . 0.0 113.6 166.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -89.96 71.59 7.49 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-O 125.082 2.372 . . . . 0.0 109.766 173.048 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.429 ' O ' ' HB2' ' A' ' 20' ' ' LYS . . . -55.69 -44.7 77.6 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 108.868 -3.787 . . . . 0.0 114.528 -168.304 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 31.7 ttm -65.89 -34.78 78.92 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.081 0.952 . . . . 0.0 112.641 177.018 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 73.8 mt -82.07 -42.99 18.47 Favored 'General case' 0 C--O 1.238 0.493 0 O-C-N 121.252 -0.905 . . . . 0.0 112.687 -174.461 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.79 -30.4 71.04 Favored 'General case' 0 CA--C 1.55 0.952 0 O-C-N 121.272 -0.892 . . . . 0.0 112.559 164.511 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.429 ' HB2' ' O ' ' A' ' 16' ' ' ALA . 3.2 tmtt? -64.29 -38.56 91.49 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-N 121.868 2.122 . . . . 0.0 110.329 167.52 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 94.2 m -54.52 -42.04 70.39 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 122.489 2.404 . . . . 0.0 113.787 167.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -50.34 -53.46 28.72 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 118.651 0.66 . . . . 0.0 112.064 163.417 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.276 7.2 m-30 -73.68 -26.2 60.62 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 -173.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -56.88 -47.67 79.92 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.189 0.996 . . . . 0.0 112.17 159.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.52 -44.02 85.58 Favored Glycine 0 CA--C 1.535 1.3 0 C-N-CA 123.825 0.726 . . . . 0.0 114.427 169.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.28 -50.03 71.72 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 114.44 1.274 . . . . 0.0 114.44 175.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . 0.402 2.9 p90 -81.14 83.92 6.67 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-N 122.371 2.35 . . . . 0.0 114.006 172.504 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -92.52 38.59 1.02 Allowed 'General case' 0 CA--C 1.555 1.164 0 CA-C-N 112.424 -2.171 . . . . 0.0 113.749 177.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 20.3 m120 -63.36 -24.23 67.76 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 115.554 1.687 . . . . 0.0 115.554 -175.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -64.46 -29.52 70.57 Favored 'General case' 0 CA--C 1.549 0.925 0 N-CA-C 115.057 1.502 . . . . 0.0 115.057 169.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . 0.275 28.2 m-20 53.94 35.41 21.83 Favored 'General case' 0 CA--C 1.55 0.948 0 N-CA-C 117.285 2.328 . . . . 0.0 117.285 -170.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -77.64 173.56 11.9 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-O 122.554 1.169 . . . . 0.0 113.134 163.28 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.8 p -71.45 131.51 43.43 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 120.783 -1.198 . . . . 0.0 112.012 169.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 98.4 m -56.36 -49.1 75.38 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.954 1.302 . . . . 0.0 114.243 -170.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -76.01 -15.67 60.1 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 114.375 1.25 . . . . 0.0 114.375 -179.303 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -86.33 -41.77 14.25 Favored 'General case' 0 C--O 1.242 0.689 0 CA-C-N 121.183 1.81 . . . . 0.0 111.958 171.292 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.588 ' O ' HD12 ' A' ' 41' ' ' ILE 0.266 15.5 ptt180 -66.15 -37.97 86.97 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-O 118.37 -0.824 . . . . 0.0 111.305 167.775 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . 0.25 . . -89.29 9.4 26.12 Favored 'General case' 0 CA--C 1.551 1.005 0 N-CA-C 116.864 2.172 . . . . 0.0 116.864 169.084 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.28 -39.53 71.48 Favored 'General case' 0 CA--C 1.542 0.65 0 O-C-N 118.917 -2.364 . . . . 0.0 111.956 144.012 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 75.4 mtm180 -68.75 -42.27 77.75 Favored 'General case' 0 CA--C 1.551 1.008 0 N-CA-C 114.061 1.134 . . . . 0.0 114.061 168.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.588 HD12 ' O ' ' A' ' 37' ' ' ARG 0.251 3.4 mp -74.19 81.2 0.48 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.902 0 CA-C-O 127.121 3.343 . . . . 0.0 112.485 162.054 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 62.3 pttt -98.07 16.29 21.6 Favored 'General case' 0 CA--C 1.548 0.871 1 CA-C-N 107.529 -4.396 . . . . 0.0 115.319 -173.707 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 82.3 mt -65.3 -43.01 95.17 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.846 0 N-CA-C 113.938 1.088 . . . . 0.0 113.938 -168.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -176.27 166.79 38.05 Favored Glycine 0 CA--C 1.542 1.78 0 CA-C-O 118.202 -1.332 . . . . 0.0 115.935 176.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -61.29 -44.48 23.13 Favored 'Trans proline' 0 C--N 1.359 1.108 0 C-N-CA 124.544 3.496 . . . . 0.0 115.915 -175.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -64.1 -32.82 74.53 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.732 0.813 . . . . 0.0 112.688 171.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 36.0 t -64.55 -59.86 3.81 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-O 117.136 -1.412 . . . . 0.0 111.276 174.149 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -49.89 -41.53 17.54 Favored 'Isoleucine or valine' 0 C--N 1.351 0.656 0 CA-C-N 120.6 1.545 . . . . 0.0 114.876 170.141 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.3 mmtt -64.05 -49.9 70.51 Favored 'General case' 0 CA--C 1.552 1.039 0 N-CA-C 115.445 1.646 . . . . 0.0 115.445 174.098 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.12 -50.03 65.31 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 124.332 1.053 . . . . 0.0 110.445 168.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.553 ' CE2' HD13 ' A' ' 41' ' ' ILE . 3.5 t80 -55.35 -59.19 5.15 Favored 'General case' 0 C--N 1.348 0.51 0 C-N-CA 124.99 1.316 . . . . 0.0 112.235 177.03 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 18.4 mmmt -59.94 -42.38 93.88 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 114.079 1.14 . . . . 0.0 114.079 -178.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . 0.25 13.9 m-20 -72.15 -41.73 66.76 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 121.229 1.831 . . . . 0.0 114.118 177.522 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.7 m -60.05 -35.52 75.3 Favored 'General case' 0 CA--C 1.551 0.982 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 166.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.6 t -66.05 -36.73 84.03 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 119.899 1.227 . . . . 0.0 113.178 173.323 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 43.6 m-85 -61.71 -40.23 94.32 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 120.225 1.375 . . . . 0.0 113.651 165.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 21.5 mm -60.79 -42.91 94.09 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 CA-C-N 119.773 1.17 . . . . 0.0 112.867 169.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.03 -43.2 86.62 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 113.958 1.096 . . . . 0.0 113.958 172.125 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -60.43 -43.35 96.88 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 119.672 1.124 . . . . 0.0 113.517 169.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -60.03 -39.84 87.28 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 123.737 0.815 . . . . 0.0 112.89 173.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 97.4 t -65.87 -55.73 18.09 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.748 0 CA-C-O 118.661 -0.685 . . . . 0.0 112.434 167.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -65.75 -12.34 53.06 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 116.105 1.891 . . . . 0.0 116.105 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.34 -26.81 68.64 Favored 'General case' 0 CA--C 1.547 0.845 0 O-C-N 120.835 -1.165 . . . . 0.0 114.133 160.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? . . . . . 0 CA--C 1.547 0.855 0 N-CA-C 115.099 1.518 . . . . 0.0 115.099 178.736 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 28.1 mt . . . . . 0 N--CA 1.481 1.091 0 CA-C-O 118.804 -0.617 . . . . 0.0 110.137 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -58.8 -46.36 87.76 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-O 117.138 -1.411 . . . . 0.0 112.752 174.217 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -63.3 -41.32 98.94 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 123.398 2.817 . . . . 0.0 114.333 171.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.573 ' O ' ' HE1' ' A' ' 13' ' ' TYR . 65.3 mm-40 -77.35 -41.81 38.97 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 114.716 1.376 . . . . 0.0 114.716 178.55 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -103.63 43.27 1.1 Allowed 'General case' 0 CA--C 1.551 1.015 0 N-CA-C 118.68 2.844 . . . . 0.0 118.68 163.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.8 28.6 0.0 OUTLIER 'General case' 0 CA--C 1.557 1.245 0 O-C-N 118.17 -2.831 . . . . 0.0 118.58 167.364 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 59.2 mtpt 44.03 46.89 7.2 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 127.329 2.252 . . . . 0.0 114.388 -172.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.573 ' HE1' ' O ' ' A' ' 9' ' ' GLU . 1.0 OUTLIER -123.58 -150.7 0.46 Allowed 'General case' 0 CA--C 1.55 0.975 0 CA-C-N 115.227 -0.897 . . . . 0.0 111.629 -160.474 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -71.64 -45.18 62.81 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.951 1.7 . . . . 0.0 115.178 -166.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -80.03 78.7 6.64 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-O 123.8 1.762 . . . . 0.0 114.025 -172.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.16 -54.93 32.98 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 111.335 -2.666 . . . . 0.0 116.183 -177.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 65.0 mtp -66.17 -28.97 69.18 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 113.396 0.888 . . . . 0.0 113.396 -179.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -78.13 -50.0 12.82 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.844 1.258 . . . . 0.0 112.698 -179.216 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 25.5 pttm -61.94 -28.94 69.9 Favored 'General case' 0 CA--C 1.547 0.86 0 O-C-N 120.942 -1.099 . . . . 0.0 113.793 164.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -66.25 -36.24 82.5 Favored 'General case' 0 CA--C 1.553 1.091 0 CA-C-N 120.911 1.687 . . . . 0.0 111.233 166.412 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.8 m -57.08 -39.39 74.87 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-N 123.408 2.822 . . . . 0.0 114.326 164.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -50.65 -52.79 36.5 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-N 119.229 0.922 . . . . 0.0 111.421 163.463 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.284 7.0 m-30 -74.63 -21.67 59.32 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 114.423 1.268 . . . . 0.0 114.423 -174.715 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -58.16 -49.04 78.41 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.584 0.754 . . . . 0.0 112.857 156.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.28 -40.6 98.82 Favored Glycine 0 CA--C 1.532 1.146 0 N-CA-C 115.2 0.84 . . . . 0.0 115.2 173.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.66 -42.46 95.37 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 113.199 0.814 . . . . 0.0 113.199 172.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -74.75 73.94 2.07 Favored 'General case' 0 CA--C 1.554 1.107 0 CA-C-O 123.215 1.483 . . . . 0.0 112.429 173.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 73.4 ttt180 -95.14 115.35 27.32 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.692 169.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -134.13 -106.81 0.23 Allowed 'General case' 0 CA--C 1.553 1.077 0 CA-C-O 117.796 -1.097 . . . . 0.0 112.909 -165.325 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -63.7 -24.0 67.6 Favored 'General case' 0 CA--C 1.55 0.947 0 CA-C-N 122.448 2.385 . . . . 0.0 113.299 174.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -68.44 125.54 26.79 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-O 122.661 1.219 . . . . 0.0 112.815 174.1 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -65.65 -59.85 3.51 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 114.369 -1.287 . . . . 0.0 113.914 176.179 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 92.8 m -123.77 112.3 17.16 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 118.751 0.705 . . . . 0.0 111.795 -174.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 12.1 p -63.2 -27.41 69.34 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 116.364 1.986 . . . . 0.0 116.364 -177.154 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -70.11 -29.8 66.85 Favored 'General case' 0 CA--C 1.55 0.977 0 CA-C-N 119.792 1.178 . . . . 0.0 114.072 174.154 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -69.81 -47.23 63.57 Favored 'General case' 0 CA--C 1.548 0.872 0 O-C-N 119.998 -1.689 . . . . 0.0 111.041 172.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.539 ' O ' HD12 ' A' ' 41' ' ' ILE . 67.7 ttt180 -52.36 -48.65 65.42 Favored 'General case' 0 CA--C 1.547 0.863 0 CA-C-N 113.333 -1.758 . . . . 0.0 112.277 167.182 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -87.98 7.72 29.77 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 117.344 2.35 . . . . 0.0 117.344 172.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.04 -47.65 79.37 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 119.188 -2.195 . . . . 0.0 110.375 143.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 84.7 mtt-85 -66.66 -47.45 72.48 Favored 'General case' 0 CA--C 1.554 1.133 0 N-CA-C 114.594 1.331 . . . . 0.0 114.594 174.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.539 HD12 ' O ' ' A' ' 37' ' ' ARG . 3.3 mp -67.04 90.23 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 CA-C-O 126.426 3.012 . . . . 0.0 112.663 168.574 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.18 46.08 2.05 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-N 109.171 -3.649 . . . . 0.0 112.496 176.026 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 89.6 mt -68.97 -40.96 81.6 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.813 0 O-C-N 121.373 -0.829 . . . . 0.0 111.927 177.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -169.16 158.1 30.43 Favored Glycine 0 CA--C 1.544 1.882 0 CA-C-O 117.465 -1.742 . . . . 0.0 114.117 174.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -51.63 -44.72 42.44 Favored 'Trans proline' 0 C--N 1.359 1.103 0 C-N-CA 125.013 3.809 . . . . 0.0 115.747 176.124 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 51.2 tttm -65.88 -32.91 74.68 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 124.464 1.106 . . . . 0.0 112.235 175.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -68.02 -55.67 11.76 Favored 'General case' 0 C--N 1.348 0.54 0 C-N-CA 124.347 1.059 . . . . 0.0 111.061 174.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -54.22 -39.72 44.14 Favored 'Isoleucine or valine' 0 C--N 1.351 0.669 0 N-CA-C 114.901 1.445 . . . . 0.0 114.901 171.132 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.0 tttt -56.37 -58.85 6.23 Favored 'General case' 0 CA--C 1.549 0.942 0 CA-C-N 119.564 1.075 . . . . 0.0 112.967 171.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.05 -50.13 59.22 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.579 1.152 . . . . 0.0 111.664 173.538 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.532 ' CE2' HD13 ' A' ' 41' ' ' ILE . 1.9 t80 -55.01 -55.79 26.96 Favored 'General case' 0 C--N 1.349 0.577 0 CA-C-O 117.521 -1.228 . . . . 0.0 111.596 176.186 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.6 mmmt -59.95 -41.5 92.02 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 120.06 1.3 . . . . 0.0 113.858 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -62.47 -50.12 72.69 Favored 'General case' 0 CA--C 1.55 0.971 0 CA-C-N 120.879 1.672 . . . . 0.0 112.972 177.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 17.5 m -63.12 -37.82 88.73 Favored 'General case' 0 CA--C 1.555 1.141 0 N-CA-C 114.634 1.346 . . . . 0.0 114.634 170.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.7 t -60.11 -40.65 90.42 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 120.769 1.622 . . . . 0.0 113.198 169.062 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -62.61 -40.54 97.29 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-O 115.835 -2.031 . . . . 0.0 113.882 169.222 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.435 1.9 pp -69.79 -31.92 50.14 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 CA-C-N 124.377 3.262 . . . . 0.0 114.663 169.349 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.02 -40.42 93.51 Favored 'General case' 0 CA--C 1.547 0.847 0 CA-C-N 120.319 1.418 . . . . 0.0 112.806 169.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -63.29 -41.61 99.0 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 112.948 0.721 . . . . 0.0 112.948 170.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 30.3 mm100 -62.52 -40.1 95.67 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-O 118.113 -0.946 . . . . 0.0 113.376 170.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 94.3 t -60.04 -45.11 95.92 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.808 0 CA-C-N 120.289 1.404 . . . . 0.0 112.437 170.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -64.15 -35.83 82.07 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 114.911 1.449 . . . . 0.0 114.911 171.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.81 -53.26 10.66 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 120.231 1.378 . . . . 0.0 114.161 171.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 . . . . . 0 CA--C 1.548 0.887 0 CA-C-O 123.348 1.547 . . . . 0.0 113.094 -175.161 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 72.2 mt . . . . . 0 N--CA 1.477 0.875 0 CA-C-O 117.477 -1.249 . . . . 0.0 109.722 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -73.26 -10.81 60.16 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 121.403 1.91 . . . . 0.0 115.73 176.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -68.76 -40.99 79.46 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 125.718 3.872 . . . . 0.0 111.711 160.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -86.14 -31.23 21.94 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 114.635 1.346 . . . . 0.0 114.635 178.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -99.04 28.51 4.36 Favored 'General case' 0 CA--C 1.558 1.268 0 N-CA-C 119.399 3.111 . . . . 0.0 119.399 158.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.94 56.22 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.25 0 O-C-N 117.309 -3.369 . . . . 0.0 117.287 164.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . 0.272 0.8 OUTLIER 65.63 -50.05 0.38 Allowed 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 128.308 2.643 . . . . 0.0 114.074 177.232 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 64.17 130.29 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 120.374 3.472 . . . . 0.0 120.374 167.11 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm -66.99 -43.43 82.96 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 109.959 -3.291 . . . . 0.0 111.567 150.018 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -82.52 68.54 9.01 Favored 'General case' 0 CA--C 1.554 1.099 0 CA-C-O 125.542 2.591 . . . . 0.0 112.273 177.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.57 -36.36 80.43 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 109.724 -3.398 . . . . 0.0 114.758 -177.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 62.5 mtp -65.37 -31.62 72.82 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.9 0.88 . . . . 0.0 112.984 174.246 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -78.44 -46.66 19.24 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.375 1.07 . . . . 0.0 112.394 176.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -50.29 -40.79 49.44 Favored 'General case' 0 CA--C 1.561 1.373 0 N-CA-C 115.126 1.528 . . . . 0.0 115.126 157.153 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.6 tptp -63.2 -35.7 81.19 Favored 'General case' 0 CA--C 1.551 0.986 0 O-C-N 118.555 -2.591 . . . . 0.0 112.686 169.013 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -56.14 -41.36 75.26 Favored 'General case' 0 CA--C 1.553 1.087 0 CA-C-N 121.322 1.873 . . . . 0.0 112.02 167.098 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -48.79 -54.26 15.83 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 124.12 0.968 . . . . 0.0 111.657 163.434 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.256 9.1 m-30 -71.74 -31.64 66.88 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 114.888 1.44 . . . . 0.0 114.888 -173.488 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -62.08 -33.04 73.68 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 113.331 0.863 . . . . 0.0 113.331 164.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -74.9 -40.39 36.12 Favored Glycine 0 CA--C 1.535 1.313 0 CA-C-N 118.943 0.792 . . . . 0.0 114.682 168.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.12 -35.5 73.56 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.355 1.062 . . . . 0.0 113.658 176.276 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -70.74 72.3 0.53 Allowed 'General case' 0 CA--C 1.554 1.134 0 O-C-N 121.219 -0.926 . . . . 0.0 112.656 163.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -65.12 112.51 3.42 Favored 'General case' 0 CA--C 1.55 0.946 0 CA-C-O 122.706 1.241 . . . . 0.0 113.191 177.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -69.15 142.57 54.33 Favored 'General case' 0 CA--C 1.551 1.008 0 CA-C-N 113.702 -1.59 . . . . 0.0 114.263 176.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -69.51 61.23 0.15 Allowed 'General case' 0 CA--C 1.549 0.92 0 CA-C-O 123.625 1.679 . . . . 0.0 115.381 -179.19 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -104.67 -172.51 2.11 Favored 'General case' 0 CA--C 1.554 1.133 0 CA-C-N 113.692 -1.595 . . . . 0.0 110.612 168.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -65.19 -62.96 1.23 Allowed 'General case' 0 CA--C 1.545 0.786 0 O-C-N 120.623 -1.298 . . . . 0.0 110.547 172.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.2 t -144.24 138.09 27.76 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-O 122.074 0.94 . . . . 0.0 111.789 170.061 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.5 p -66.21 -27.83 68.28 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 115.166 -0.924 . . . . 0.0 113.306 172.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -69.73 -23.48 63.4 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 114.869 1.433 . . . . 0.0 114.869 -175.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -66.4 -53.31 37.28 Favored 'General case' 0 CA--C 1.546 0.827 0 CA-C-N 119.505 1.048 . . . . 0.0 111.656 169.371 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.495 ' O ' HG13 ' A' ' 41' ' ' ILE . 57.0 mtp180 -59.6 -46.95 87.44 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 114.742 -1.117 . . . . 0.0 111.981 172.041 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -77.9 -5.85 52.38 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 117.396 2.369 . . . . 0.0 117.396 173.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.39 -46.94 78.07 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 119.698 -1.876 . . . . 0.0 111.55 151.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.3 mtp180 -73.98 -21.99 59.79 Favored 'General case' 0 CA--C 1.552 1.04 0 N-CA-C 115.878 1.807 . . . . 0.0 115.878 174.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.495 HG13 ' O ' ' A' ' 37' ' ' ARG . 52.6 mt -67.53 95.03 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 CA-C-O 125.208 2.433 . . . . 0.0 109.93 166.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.15 27.52 9.58 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 110.298 -3.137 . . . . 0.0 115.202 179.493 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 47.7 pt -68.91 -30.64 47.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 N-CA-C 115.217 1.562 . . . . 0.0 115.217 -175.081 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -171.42 137.63 4.46 Favored Glycine 0 CA--C 1.543 1.836 0 CA-C-O 116.56 -2.245 . . . . 0.0 113.03 175.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -62.45 -44.69 17.21 Favored 'Trans proline' 0 CA--C 1.545 1.063 0 CA-C-N 123.688 3.744 . . . . 0.0 116.674 -171.281 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.5 tmtt? -69.69 -30.06 67.62 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 119.064 0.847 . . . . 0.0 111.182 173.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -65.58 -58.42 5.82 Favored 'General case' 0 C--N 1.35 0.594 0 CA-C-O 116.084 -1.912 . . . . 0.0 108.893 175.17 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . 0.269 0.1 OUTLIER -54.85 -36.2 36.56 Favored 'Isoleucine or valine' 0 C--N 1.352 0.689 0 CA-C-N 122.377 2.353 . . . . 0.0 115.866 169.437 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 51.3 tttm -56.27 -55.24 35.73 Favored 'General case' 0 CA--C 1.551 1.0 0 CA-C-N 122.238 2.29 . . . . 0.0 112.454 170.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.64 -54.59 45.35 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.906 0.882 . . . . 0.0 112.83 172.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.404 ' HE2' HD12 ' A' ' 41' ' ' ILE . 81.6 t80 -58.98 -57.28 13.76 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 125.055 1.342 . . . . 0.0 114.053 179.533 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.3 ttpp -71.52 -28.69 64.06 Favored 'General case' 0 CA--C 1.552 1.02 0 CA-C-N 118.63 0.65 . . . . 0.0 111.113 -175.06 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.407 ' O ' HG12 ' A' ' 57' ' ' ILE . 89.1 m-20 -74.24 -46.09 43.86 Favored 'General case' 0 C--N 1.359 0.998 0 CA-C-N 121.031 1.741 . . . . 0.0 113.163 173.36 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.2 m -56.76 -43.23 80.57 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 120.089 1.313 . . . . 0.0 113.106 167.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -58.4 -45.84 87.6 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 120.133 1.333 . . . . 0.0 113.452 171.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -57.96 -46.63 84.82 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 120.036 1.289 . . . . 0.0 113.008 171.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.407 HG12 ' O ' ' A' ' 53' ' ' ASP . 5.0 mm -65.72 -40.73 88.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 CA-C-N 120.173 1.351 . . . . 0.0 112.319 177.13 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.0 -44.29 94.64 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 171.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -63.89 -41.21 97.78 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 123.662 0.785 . . . . 0.0 112.766 171.116 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -57.89 -46.56 84.73 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.454 1.102 . . . . 0.0 112.539 170.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 84.5 t -62.53 -49.17 84.92 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.703 0 CA-C-O 117.84 -1.076 . . . . 0.0 112.562 171.006 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 63.9 mtp180 -66.6 -23.62 66.21 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 121.229 1.831 . . . . 0.0 115.731 176.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.49 -36.66 65.82 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 120.687 1.585 . . . . 0.0 113.571 164.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 . . . . . 0 CA--C 1.546 0.818 0 C-N-CA 124.1 0.96 . . . . 0.0 113.407 175.431 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 15.7 mt . . . . . 0 N--CA 1.482 1.145 0 CA-C-O 118.99 -0.528 . . . . 0.0 109.626 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -56.23 -51.48 67.94 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.026 0.931 . . . . 0.0 112.83 174.148 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -66.71 -29.17 69.1 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 121.744 2.065 . . . . 0.0 114.814 178.182 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -93.44 -28.99 15.8 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 120.624 1.556 . . . . 0.0 115.016 174.198 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -107.07 33.1 4.14 Favored 'General case' 0 CA--C 1.557 1.231 0 N-CA-C 119.272 3.064 . . . . 0.0 119.272 162.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -49.45 -58.69 4.7 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 118.136 2.643 . . . . 0.0 118.136 177.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -155.6 -58.99 0.1 Allowed 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.518 1.127 . . . . 0.0 108.804 174.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 70.62 123.1 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 120.902 3.667 . . . . 0.0 120.902 167.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.79 -47.7 77.15 Favored 'General case' 0 CA--C 1.55 0.96 0 CA-C-N 110.036 -3.256 . . . . 0.0 109.877 149.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -82.81 68.01 9.11 Favored 'General case' 0 CA--C 1.551 1.009 0 CA-C-O 126.818 3.199 . . . . 0.0 113.662 176.01 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.45 -29.21 67.63 Favored 'General case' 0 CA--C 1.537 0.456 1 CA-C-N 107.471 -4.422 . . . . 0.0 113.005 176.49 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 47.8 mtm -64.99 -32.64 74.46 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.791 1.236 . . . . 0.0 113.562 171.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 73.4 mt -85.01 -40.56 16.73 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 121.167 -0.958 . . . . 0.0 111.585 -179.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 73.6 tttt -55.44 -42.1 73.76 Favored 'General case' 0 CA--C 1.557 1.244 0 N-CA-C 114.502 1.297 . . . . 0.0 114.502 157.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.2 ttpp -69.25 -21.2 63.92 Favored 'General case' 0 CA--C 1.552 1.046 0 O-C-N 119.034 -2.291 . . . . 0.0 112.691 170.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.2 t -65.58 -37.33 86.36 Favored 'General case' 0 CA--C 1.551 1.001 0 O-C-N 120.079 -1.638 . . . . 0.0 112.666 163.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -51.63 -54.4 28.25 Favored 'General case' 0 N--CA 1.485 1.307 0 CA-C-N 119.385 0.993 . . . . 0.0 111.009 159.542 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.295 4.8 m-30 -73.56 -19.57 60.86 Favored 'General case' 0 CA--C 1.554 1.104 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 -174.131 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.52 -48.83 80.14 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.663 1.585 . . . . 0.0 111.997 157.705 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.71 -41.03 95.61 Favored Glycine 0 CA--C 1.532 1.132 0 N-CA-C 115.418 0.927 . . . . 0.0 115.418 171.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.94 -43.51 87.83 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 113.741 1.015 . . . . 0.0 113.741 173.383 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -74.63 67.51 1.55 Allowed 'General case' 0 CA--C 1.556 1.201 0 CA-C-O 123.298 1.523 . . . . 0.0 112.844 177.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 70.1 ttt180 -79.0 63.07 3.59 Favored 'General case' 0 CA--C 1.553 1.093 0 CA-C-O 124.303 2.002 . . . . 0.0 112.704 175.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -120.42 -33.24 3.91 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 113.414 -1.721 . . . . 0.0 113.356 178.015 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -66.24 -35.54 80.69 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 114.007 1.114 . . . . 0.0 114.007 179.101 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -142.04 145.8 34.78 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.541 1.136 . . . . 0.0 109.478 178.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -65.77 -32.01 73.31 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 178.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 18.1 p -118.64 101.28 8.0 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 120.22 1.373 . . . . 0.0 112.548 -177.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.6 p -63.18 -32.7 74.16 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 115.87 1.804 . . . . 0.0 115.87 -175.039 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -67.16 -39.09 86.45 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 124.043 0.937 . . . . 0.0 113.422 174.211 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -72.77 -42.74 63.65 Favored 'General case' 0 CA--C 1.547 0.836 0 O-C-N 121.04 -1.037 . . . . 0.0 110.526 176.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.614 ' O ' HD12 ' A' ' 41' ' ' ILE . 64.5 ttt180 -51.92 -47.41 64.68 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 115.052 -0.976 . . . . 0.0 112.121 165.443 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -83.46 -1.22 53.07 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 117.72 2.489 . . . . 0.0 117.72 172.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.94 -32.88 74.43 Favored 'General case' 0 CA--C 1.548 0.894 0 O-C-N 119.828 -1.795 . . . . 0.0 112.086 148.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 28.5 mtt180 -73.87 -47.19 39.95 Favored 'General case' 0 CA--C 1.555 1.158 0 O-C-N 121.158 -0.964 . . . . 0.0 113.243 168.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.614 HD12 ' O ' ' A' ' 37' ' ' ARG 0.278 3.3 mp -67.92 86.38 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.878 0 CA-C-O 126.855 3.217 . . . . 0.0 114.257 171.27 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -100.01 13.41 34.09 Favored 'General case' 0 CA--C 1.548 0.897 1 CA-C-N 107.742 -4.299 . . . . 0.0 115.138 179.185 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 91.5 mt -63.08 -38.89 83.26 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.937 0 N-CA-C 114.428 1.27 . . . . 0.0 114.428 -167.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -167.88 159.86 33.25 Favored Glycine 0 CA--C 1.544 1.903 0 CA-C-O 117.934 -1.481 . . . . 0.0 115.002 175.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_exo -53.54 -50.72 12.87 Favored 'Trans proline' 0 C--N 1.36 1.162 0 C-N-CA 124.827 3.685 . . . . 0.0 115.419 174.276 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -61.34 -32.55 72.43 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 113.436 0.902 . . . . 0.0 113.436 173.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 3.9 t -64.29 -59.37 4.47 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-O 117.757 -1.116 . . . . 0.0 109.628 175.045 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . 0.286 0.0 OUTLIER -55.3 -38.17 46.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 N-CA-C 115.561 1.689 . . . . 0.0 115.561 172.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 24.8 mtpt -56.05 -55.24 35.28 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 121.601 2.001 . . . . 0.0 113.613 169.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.53 -52.61 63.13 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.587 1.155 . . . . 0.0 110.319 176.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.565 ' CE2' HD13 ' A' ' 41' ' ' ILE . 1.7 t80 -55.16 -55.89 26.13 Favored 'General case' 0 C--N 1.346 0.421 0 CA-C-O 117.019 -1.467 . . . . 0.0 111.481 177.294 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 47.0 mttm -57.98 -47.91 81.57 Favored 'General case' 0 C--N 1.345 0.409 0 CA-C-N 120.181 1.355 . . . . 0.0 113.638 -178.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -67.82 -44.05 78.18 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 120.473 1.488 . . . . 0.0 113.565 -178.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 17.5 m -62.28 -37.29 84.93 Favored 'General case' 0 CA--C 1.557 1.218 0 N-CA-C 114.038 1.125 . . . . 0.0 114.038 168.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.6 t -62.85 -41.72 99.47 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 120.715 1.598 . . . . 0.0 114.127 170.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -65.39 -31.87 73.21 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 120.682 1.583 . . . . 0.0 112.961 171.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 21.6 mm -62.67 -48.24 89.11 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 CA-C-N 120.595 1.543 . . . . 0.0 113.112 163.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.02 -46.67 71.89 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 123.9 0.88 . . . . 0.0 113.196 173.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -63.89 -32.95 74.65 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 174.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -68.39 -56.25 9.16 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 119.66 1.118 . . . . 0.0 112.814 166.624 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . 0.26 33.1 m -64.89 -22.89 32.3 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 CA-C-N 120.905 1.684 . . . . 0.0 115.006 -176.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 12.9 mmt85 -59.72 -19.56 50.77 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 120.916 1.689 . . . . 0.0 114.976 166.219 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.69 -25.72 44.82 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 120.399 1.454 . . . . 0.0 112.929 170.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 . . . . . 0 CA--C 1.543 0.686 0 O-C-N 121.622 -0.674 . . . . 0.0 112.421 173.796 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 60.0 mt . . . . . 0 N--CA 1.48 1.036 0 CA-C-O 118.959 -0.544 . . . . 0.0 110.16 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -61.0 -45.16 95.94 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 116.69 -1.624 . . . . 0.0 113.556 175.283 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 -63.85 -39.18 93.61 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 124.035 3.107 . . . . 0.0 114.288 175.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.509 ' O ' ' HE1' ' A' ' 13' ' ' TYR . 0.5 OUTLIER -82.94 -37.92 23.48 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 114.672 1.36 . . . . 0.0 114.672 177.182 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -105.96 45.65 0.96 Allowed 'General case' 0 CA--C 1.553 1.07 0 N-CA-C 117.959 2.578 . . . . 0.0 117.959 162.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.7 28.01 0.01 OUTLIER 'General case' 0 CA--C 1.554 1.117 0 N-CA-C 119.176 3.028 . . . . 0.0 119.176 170.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 50.23 43.1 26.26 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 126.223 1.809 . . . . 0.0 113.65 -174.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.509 ' HE1' ' O ' ' A' ' 9' ' ' GLU . 0.6 OUTLIER -124.78 -152.32 0.51 Allowed 'General case' 0 CA--C 1.551 0.999 0 CA-C-N 115.174 -0.921 . . . . 0.0 111.678 -161.588 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 66.0 tttt -67.32 -47.37 70.73 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 126.259 1.824 . . . . 0.0 114.537 -166.14 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -83.16 80.28 9.11 Favored 'General case' 0 CA--C 1.545 0.75 0 CA-C-O 123.913 1.816 . . . . 0.0 114.106 -170.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.7 -46.1 77.74 Favored 'General case' 0 CA--C 1.541 0.635 0 CA-C-N 111.606 -2.543 . . . . 0.0 115.265 177.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.04 -32.62 74.43 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.15 0.98 . . . . 0.0 113.606 177.066 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 36.0 mt -85.46 -43.39 13.63 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.319 0.647 . . . . 0.0 111.463 -174.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.4 ptpp? -59.96 -32.64 71.0 Favored 'General case' 0 CA--C 1.549 0.914 0 O-C-N 120.696 -1.252 . . . . 0.0 113.539 161.125 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.1 ttpp -62.39 -39.98 94.98 Favored 'General case' 0 CA--C 1.549 0.922 0 CA-C-N 121.8 2.091 . . . . 0.0 111.615 167.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.2 m -51.73 -44.43 63.25 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 122.124 2.238 . . . . 0.0 113.125 166.299 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -50.35 -53.37 29.49 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 118.534 0.606 . . . . 0.0 112.408 166.513 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.252 6.6 m-30 -74.56 -30.53 61.77 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 114.136 1.162 . . . . 0.0 114.136 -172.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -62.05 -33.01 73.59 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 113.481 0.919 . . . . 0.0 113.481 163.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.43 -45.9 35.57 Favored Glycine 0 CA--C 1.537 1.466 0 CA-C-N 118.656 0.662 . . . . 0.0 114.359 167.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.07 -36.68 82.39 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 115.29 1.589 . . . . 0.0 115.29 -179.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -74.2 66.92 1.31 Allowed 'General case' 0 CA--C 1.553 1.061 0 N-CA-C 114.395 1.258 . . . . 0.0 114.395 173.256 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.48 ' HD3' ' O ' ' A' ' 29' ' ' ASN . 0.7 OUTLIER 63.68 -55.47 0.21 Allowed 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 127.154 2.181 . . . . 0.0 116.289 170.104 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.48 ' O ' ' HD3' ' A' ' 28' ' ' ARG . 28.2 t-20 71.99 146.46 0.07 Allowed 'General case' 0 CA--C 1.555 1.154 0 C-N-CA 127.488 2.315 . . . . 0.0 114.481 -171.433 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -61.91 -24.08 66.73 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 115.944 1.831 . . . . 0.0 115.944 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -101.03 144.24 30.2 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 120.233 1.379 . . . . 0.0 113.419 -174.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -69.59 -17.21 63.52 Favored 'General case' 0 CA--C 1.546 0.821 0 CA-C-N 113.641 -1.618 . . . . 0.0 114.6 172.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 89.1 m -142.71 84.34 1.84 Allowed 'General case' 0 CA--C 1.542 0.636 0 O-C-N 119.042 -2.286 . . . . 0.0 109.666 165.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 30.9 p -61.6 -20.99 63.95 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 114.016 -1.447 . . . . 0.0 114.896 -176.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.6 mp0 -64.73 -32.08 73.59 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.976 1.31 . . . . 0.0 113.239 174.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -66.26 -48.52 70.2 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-O 123.583 1.658 . . . . 0.0 111.971 171.231 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.565 ' O ' HD12 ' A' ' 41' ' ' ILE . 45.8 mmm-85 -60.88 -45.08 96.0 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 113.214 -1.812 . . . . 0.0 111.564 172.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.454 ' HA ' ' HB ' ' A' ' 41' ' ' ILE . . . -80.69 3.31 22.53 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 122.061 2.209 . . . . 0.0 116.679 171.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.45 -37.48 77.36 Favored 'General case' 0 CA--C 1.547 0.845 0 O-C-N 119.329 -2.107 . . . . 0.0 111.863 145.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 80.8 mtp180 -80.06 -40.53 27.5 Favored 'General case' 0 CA--C 1.558 1.265 0 N-CA-C 116.722 2.119 . . . . 0.0 116.722 171.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.565 HD12 ' O ' ' A' ' 37' ' ' ARG 0.278 2.2 mp -51.63 97.38 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.547 0.841 0 CA-C-O 126.479 3.038 . . . . 0.0 114.412 167.658 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -110.18 36.93 2.86 Favored 'General case' 0 CA--C 1.549 0.935 1 CA-C-N 108.033 -4.167 . . . . 0.0 114.342 -179.595 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 95.0 mt -68.51 -48.23 73.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 O-C-N 120.719 -1.238 . . . . 0.0 112.9 -179.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -177.14 149.32 9.42 Favored Glycine 0 CA--C 1.542 1.78 0 CA-C-O 116.095 -2.503 . . . . 0.0 113.185 176.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_exo -48.33 -57.57 2.27 Favored 'Trans proline' 0 C--N 1.36 1.174 1 C-N-CA 125.388 4.059 . . . . 0.0 117.199 -172.467 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 20.2 mtpp -66.05 -27.18 67.9 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.895 1.072 . . . . 0.0 113.895 173.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.33 -54.28 22.09 Favored 'General case' 0 C--N 1.349 0.58 0 CA-C-O 116.866 -1.54 . . . . 0.0 109.675 173.252 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -52.99 -46.7 53.99 Favored 'Isoleucine or valine' 0 C--N 1.352 0.7 0 CA-C-N 121.375 1.898 . . . . 0.0 114.318 171.065 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -55.14 -53.34 57.19 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 119.951 1.251 . . . . 0.0 113.217 174.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.44 -56.24 24.42 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.39 0.676 . . . . 0.0 111.723 174.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.456 ' HE2' HD13 ' A' ' 41' ' ' ILE . 67.1 t80 -59.3 -53.36 59.11 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.465 1.106 . . . . 0.0 113.536 -178.339 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -65.91 -44.06 86.32 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-O 118.982 -0.532 . . . . 0.0 110.922 -177.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.468 ' O ' HG12 ' A' ' 57' ' ' ILE . 39.9 m-20 -70.94 -43.79 67.44 Favored 'General case' 0 C--N 1.355 0.838 0 CA-C-N 119.683 1.128 . . . . 0.0 112.914 -177.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.5 m -57.98 -42.04 84.25 Favored 'General case' 0 CA--C 1.548 0.9 0 CA-C-O 117.505 -1.236 . . . . 0.0 113.658 166.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.59 -39.53 88.47 Favored 'General case' 0 CA--C 1.548 0.881 0 CA-C-N 121.518 1.963 . . . . 0.0 113.572 176.265 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -59.36 -44.67 92.66 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 123.453 0.701 . . . . 0.0 112.859 170.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.468 HG12 ' O ' ' A' ' 53' ' ' ASP . 6.4 mm -68.1 -35.82 73.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 O-C-N 121.383 -0.823 . . . . 0.0 112.672 174.437 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.65 -45.17 77.71 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.509 0.723 . . . . 0.0 112.864 168.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -59.55 -50.69 72.91 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 113.437 0.902 . . . . 0.0 113.437 168.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -57.36 -50.05 74.19 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.825 0.85 . . . . 0.0 113.097 177.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 76.5 t -64.19 -50.71 75.55 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.611 0 CA-C-O 118.091 -0.957 . . . . 0.0 112.736 175.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 81.6 mtt85 -74.73 -12.55 60.44 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 115.541 1.682 . . . . 0.0 115.541 -178.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.82 -31.72 65.01 Favored 'General case' 0 CA--C 1.545 0.769 0 O-C-N 120.258 -1.526 . . . . 0.0 113.23 161.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 . . . . . 0 CA--C 1.543 0.706 0 C-N-CA 123.569 0.748 . . . . 0.0 112.788 176.383 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . 0.26 1.8 pt . . . . . 0 N--CA 1.481 1.081 0 CA-C-O 117.655 -1.164 . . . . 0.0 111.16 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -57.52 -62.59 1.67 Allowed 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 117.048 -1.453 . . . . 0.0 111.795 170.02 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -65.09 -31.54 72.79 Favored 'General case' 0 CA--C 1.549 0.905 0 CA-C-N 123.174 2.716 . . . . 0.0 115.269 -172.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.472 ' HG2' ' HB2' ' A' ' 50' ' ' ALA . 0.7 OUTLIER -88.74 -52.69 4.99 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 122.541 2.428 . . . . 0.0 113.996 170.502 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.41 6.92 3.24 Favored 'General case' 0 CA--C 1.557 1.223 0 CA-C-N 122.54 2.427 . . . . 0.0 116.218 172.213 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.71 -48.6 30.86 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 118.046 -2.909 . . . . 0.0 113.351 152.115 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.5 ptpp? -80.9 60.61 4.19 Favored 'General case' 0 CA--C 1.551 0.983 0 CA-C-O 123.397 1.57 . . . . 0.0 112.432 -173.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -52.39 -23.5 6.09 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 116.567 2.062 . . . . 0.0 116.567 -179.422 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 59.3 tptt -57.75 -36.79 72.58 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 125.768 1.627 . . . . 0.0 113.22 165.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -85.16 75.73 10.28 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-O 125.486 2.565 . . . . 0.0 110.525 175.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.68 -49.15 71.32 Favored 'General case' 0 CA--C 1.531 0.241 1 CA-C-N 107.86 -4.245 . . . . 0.0 114.804 -169.105 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 57.1 mtp -64.46 -35.3 80.5 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.647 0.779 . . . . 0.0 112.699 177.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 77.1 mt -81.39 -44.66 17.22 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-N 118.86 0.754 . . . . 0.0 112.882 -173.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.98 -26.67 66.03 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 118.759 -1.176 . . . . 0.0 113.004 165.511 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.7 tmtm? -67.48 -35.68 79.65 Favored 'General case' 0 CA--C 1.55 0.953 0 CA-C-N 122.021 2.191 . . . . 0.0 111.269 166.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 75.1 m -54.47 -42.38 70.59 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 122.255 2.298 . . . . 0.0 113.632 164.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -49.28 -55.83 11.43 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 122.908 0.483 . . . . 0.0 111.467 164.012 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.3 6.8 m-30 -73.22 -24.44 60.5 Favored 'General case' 0 CA--C 1.556 1.187 0 N-CA-C 114.155 1.168 . . . . 0.0 114.155 -173.496 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -60.26 -36.55 78.03 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.296 1.038 . . . . 0.0 113.381 160.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.95 -39.83 63.59 Favored Glycine 0 CA--C 1.532 1.109 0 CA-C-N 119.139 0.882 . . . . 0.0 115.016 167.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.52 -42.56 99.0 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 114.466 1.284 . . . . 0.0 114.466 177.11 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -73.46 66.8 1.0 Allowed 'General case' 0 CA--C 1.555 1.17 0 CA-C-N 120.183 1.356 . . . . 0.0 114.497 175.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 -71.39 54.48 0.21 Allowed 'General case' 0 CA--C 1.554 1.133 0 N-CA-C 117.485 2.402 . . . . 0.0 117.485 -178.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -69.41 -24.7 63.88 Favored 'General case' 0 CA--C 1.552 1.023 0 N-CA-C 115.545 1.684 . . . . 0.0 115.545 -176.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -72.22 -25.0 61.48 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 121.771 2.078 . . . . 0.0 114.46 175.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 58.51 -18.38 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 119.411 3.115 . . . . 0.0 119.411 -177.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.31 -113.84 0.0 OUTLIER 'General case' 0 CA--C 1.555 1.154 0 CA-C-N 122.996 2.634 . . . . 0.0 114.393 169.651 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 67.6 p -103.62 138.64 40.01 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 117.368 -3.332 . . . . 0.0 113.112 -178.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 41.0 t -64.12 -41.22 97.32 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 115.129 -0.941 . . . . 0.0 112.344 169.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.8 mp0 -69.02 -29.87 68.13 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 115.326 1.602 . . . . 0.0 115.326 -174.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -68.8 -52.1 33.82 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 122.981 2.628 . . . . 0.0 110.716 172.276 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.581 ' O ' HD12 ' A' ' 41' ' ' ILE . 20.1 ttt180 -46.16 -56.5 5.58 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.811 1.644 . . . . 0.0 111.936 168.045 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -84.61 -0.04 51.85 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 117.549 2.426 . . . . 0.0 117.549 176.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.44 -30.37 68.28 Favored 'General case' 0 CA--C 1.543 0.687 0 O-C-N 119.225 -2.172 . . . . 0.0 112.448 151.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 29.6 mmt180 -74.06 -42.49 60.14 Favored 'General case' 0 CA--C 1.55 0.976 0 N-CA-C 113.048 0.758 . . . . 0.0 113.048 168.362 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.581 HD12 ' O ' ' A' ' 37' ' ' ARG 0.297 3.5 mp -71.76 86.19 0.35 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.888 0 CA-C-O 127.12 3.343 . . . . 0.0 113.259 169.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.6 tppt? -86.25 -7.87 58.19 Favored 'General case' 0 CA--C 1.548 0.872 1 CA-C-N 106.912 -4.676 . . . . 0.0 115.684 -171.562 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 48.4 mm -58.72 -42.44 85.25 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.838 0 N-CA-C 115.691 1.737 . . . . 0.0 115.691 -158.052 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -175.48 161.82 30.97 Favored Glycine 0 CA--C 1.545 1.931 0 CA-C-O 117.712 -1.604 . . . . 0.0 115.822 176.244 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_exo -51.59 -50.92 12.39 Favored 'Trans proline' 0 C--N 1.362 1.246 1 C-N-CA 125.315 4.01 . . . . 0.0 116.288 178.659 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 45.0 mttm -63.92 -28.38 69.79 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 113.854 1.057 . . . . 0.0 113.854 172.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 38.8 t -68.53 -58.33 4.46 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-O 117.495 -1.241 . . . . 0.0 111.067 173.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -51.99 -41.23 31.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 CA-C-N 120.404 1.456 . . . . 0.0 114.892 171.134 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.1 mmpt? -63.19 -48.75 77.03 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 115.706 1.743 . . . . 0.0 115.706 172.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.472 ' HB2' ' HG2' ' A' ' 9' ' ' GLU . . . -53.33 -50.09 65.72 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 119.55 1.068 . . . . 0.0 110.789 169.42 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.565 ' CE2' HD13 ' A' ' 41' ' ' ILE . 2.4 t80 -55.35 -58.37 7.99 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.095 1.358 . . . . 0.0 112.443 177.538 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 20.6 tttm -63.58 -39.75 95.18 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.752 0.821 . . . . 0.0 112.957 -175.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -77.77 -36.2 50.81 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 120.828 -1.17 . . . . 0.0 114.119 178.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.2 m -58.27 -38.11 76.29 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-O 117.728 -1.13 . . . . 0.0 113.887 160.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 25.7 m -56.1 -44.54 79.17 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 121.227 1.83 . . . . 0.0 113.864 166.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 18.6 m-30 -59.93 -40.76 90.02 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 119.647 1.112 . . . . 0.0 113.252 172.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 27.1 mm -60.6 -50.78 79.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 CA-C-N 118.955 0.798 . . . . 0.0 112.726 169.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.38 -43.3 79.09 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 113.895 1.072 . . . . 0.0 113.895 174.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -64.93 -37.51 87.87 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 174.048 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 71.0 tp60 -62.83 -45.84 90.73 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 119.08 0.854 . . . . 0.0 112.496 169.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 69.0 t -60.34 -54.92 28.26 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.735 0 CA-C-O 117.691 -1.147 . . . . 0.0 113.189 175.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 16.7 ptt180 -64.51 -25.41 67.98 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 120.913 1.688 . . . . 0.0 114.799 -178.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.66 -30.02 68.63 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 113.51 0.93 . . . . 0.0 113.51 170.157 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 . . . . . 0 CA--C 1.542 0.656 0 C-N-CA 123.534 0.734 . . . . 0.0 112.192 172.276 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.5 mt . . . . . 0 N--CA 1.483 1.223 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -59.68 -39.79 85.7 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-O 117.607 -1.187 . . . . 0.0 112.826 178.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -63.91 -38.63 91.81 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 122.355 2.343 . . . . 0.0 115.121 171.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -83.46 -46.81 12.07 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 121.362 1.892 . . . . 0.0 113.258 175.313 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.19 4.64 5.37 Favored 'General case' 0 CA--C 1.555 1.145 0 N-CA-C 116.24 1.941 . . . . 0.0 116.24 166.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.88 -37.8 73.04 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 118.202 -2.811 . . . . 0.0 112.597 148.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 51.6 mttp -77.67 60.33 2.17 Favored 'General case' 0 CA--C 1.547 0.863 0 CA-C-O 122.812 1.292 . . . . 0.0 111.963 -175.267 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -65.38 -19.96 66.18 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 113.657 0.984 . . . . 0.0 113.657 172.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -64.08 -42.93 96.78 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 124.674 1.189 . . . . 0.0 112.225 163.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 -93.1 69.48 4.43 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-O 126.196 2.903 . . . . 0.0 110.097 177.119 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.9 -37.83 69.41 Favored 'General case' 0 CA--C 1.533 0.317 1 CA-C-N 107.382 -4.463 . . . . 0.0 114.517 -171.54 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 60.7 mtp -62.46 -37.09 84.57 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.117 0.967 . . . . 0.0 113.461 175.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 74.2 mt -85.48 -42.75 14.18 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 123.268 0.627 . . . . 0.0 112.079 -175.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.0 tmtt? -62.34 -36.87 83.57 Favored 'General case' 0 CA--C 1.554 1.103 0 CA-C-O 117.54 -1.219 . . . . 0.0 114.12 163.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.58 -25.6 63.14 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 123.882 3.037 . . . . 0.0 110.969 170.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.5 t -61.43 -39.46 90.86 Favored 'General case' 0 CA--C 1.552 1.035 0 CA-C-N 121.667 2.03 . . . . 0.0 112.98 166.32 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.3 t -49.07 -57.26 6.88 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.175 0.59 . . . . 0.0 110.971 159.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.296 6.0 m-30 -72.43 -19.19 61.63 Favored 'General case' 0 CA--C 1.557 1.239 0 N-CA-C 114.458 1.281 . . . . 0.0 114.458 -173.738 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -59.47 -47.73 84.37 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.463 1.105 . . . . 0.0 112.89 156.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.76 -37.77 92.91 Favored Glycine 0 N--CA 1.472 1.096 0 N-CA-C 115.124 0.81 . . . . 0.0 115.124 171.092 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.44 -47.05 80.55 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 118.063 0.932 . . . . 0.0 112.928 171.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -77.15 61.33 2.05 Favored 'General case' 0 CA--C 1.551 1.014 0 CA-C-O 122.829 1.299 . . . . 0.0 113.741 173.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 37.0 ttp180 -88.36 47.64 1.53 Allowed 'General case' 0 CA--C 1.553 1.074 0 CA-C-O 122.62 1.2 . . . . 0.0 112.269 178.027 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.97 -20.68 66.28 Favored 'General case' 0 CA--C 1.55 0.978 0 O-C-N 120.667 -1.27 . . . . 0.0 113.897 -172.348 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -65.27 -36.35 83.85 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 114.618 1.34 . . . . 0.0 114.618 168.367 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 50.28 39.49 20.15 Favored 'General case' 0 CA--C 1.551 1.015 0 N-CA-C 117.353 2.353 . . . . 0.0 117.353 -169.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -79.13 -171.11 2.51 Favored 'General case' 0 CA--C 1.555 1.143 0 O-C-N 119.999 -1.688 . . . . 0.0 112.235 162.375 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.0 p -75.35 115.85 15.45 Favored 'General case' 0 CA--C 1.542 0.665 0 O-C-N 119.197 -2.189 . . . . 0.0 110.932 168.181 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.3 p -62.65 -26.11 68.47 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 116.118 1.896 . . . . 0.0 116.118 -166.153 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.18 -25.18 65.11 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 113.536 0.939 . . . . 0.0 113.536 172.013 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -75.74 -45.91 33.89 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 120.773 1.624 . . . . 0.0 110.903 174.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.477 ' O ' HD12 ' A' ' 41' ' ' ILE . 67.0 ttt180 -57.19 -48.62 78.3 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.433 169.38 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.429 ' HA ' ' HB ' ' A' ' 41' ' ' ILE 0.296 . . -77.96 -10.04 59.39 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 117.369 2.359 . . . . 0.0 117.369 174.581 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.76 -34.76 78.6 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 121.205 1.82 . . . . 0.0 112.825 153.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.3 mpp_? -69.35 -43.19 74.14 Favored 'General case' 0 CA--C 1.552 1.045 0 N-CA-C 114.259 1.207 . . . . 0.0 114.259 165.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.538 HD13 ' CE2' ' A' ' 51' ' ' PHE 0.26 2.4 mp -60.59 -56.11 19.95 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 N-CA-C 116.645 2.091 . . . . 0.0 116.645 169.66 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -11.05 68.56 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 130.626 3.57 . . . . 0.0 118.588 -173.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 65.3 mt -71.36 -42.36 73.8 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.738 0 CA-C-N 108.93 -3.759 . . . . 0.0 110.692 166.2 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -161.97 164.28 35.26 Favored Glycine 0 CA--C 1.545 1.966 0 N-CA-C 115.99 1.156 . . . . 0.0 115.99 179.092 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_exo -53.25 -46.77 31.45 Favored 'Trans proline' 0 C--N 1.361 1.2 0 C-N-CA 125.207 3.938 . . . . 0.0 115.669 174.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.0 mtpm? -64.02 -31.97 73.34 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 123.962 0.905 . . . . 0.0 113.193 174.384 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 21.6 t -66.11 -60.69 2.57 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-O 117.374 -1.298 . . . . 0.0 109.767 173.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -49.67 -39.29 14.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 CA-C-N 120.877 1.671 . . . . 0.0 115.105 171.405 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.5 tptp -64.68 -52.36 57.63 Favored 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 113.955 1.094 . . . . 0.0 113.955 173.065 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.38 -48.7 62.46 Favored 'General case' 0 CA--C 1.549 0.941 0 CA-C-N 120.02 1.282 . . . . 0.0 110.608 170.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.538 ' CE2' HD13 ' A' ' 41' ' ' ILE . 2.7 t80 -55.47 -52.53 63.32 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.83 1.252 . . . . 0.0 112.274 175.126 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 32.4 mmtt -60.82 -41.79 96.43 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 115.246 1.572 . . . . 0.0 115.246 178.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -68.97 -42.4 76.64 Favored 'General case' 0 CA--C 1.55 0.971 0 CA-C-O 121.773 0.797 . . . . 0.0 113.125 178.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 19.4 m -67.02 -29.3 69.08 Favored 'General case' 0 CA--C 1.555 1.159 0 N-CA-C 114.904 1.446 . . . . 0.0 114.904 166.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 45.7 t -58.8 -41.71 87.39 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-N 122.268 2.304 . . . . 0.0 112.647 165.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -54.86 -47.96 73.55 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-O 118.35 -0.833 . . . . 0.0 112.327 166.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 24.3 mm -57.03 -49.36 79.69 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.142 0 N-CA-C 114.98 1.474 . . . . 0.0 114.98 168.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.3 -43.56 71.22 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 113.723 1.009 . . . . 0.0 113.723 174.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -67.3 -36.49 81.62 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 113.512 0.931 . . . . 0.0 113.512 173.243 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -64.4 -42.66 95.97 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 120.205 1.366 . . . . 0.0 113.046 168.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 76.5 t -60.35 -39.1 79.92 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.77 0 CA-C-N 119.187 0.903 . . . . 0.0 112.455 172.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 23.0 mmt180 -68.95 -36.89 78.46 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 115.508 1.67 . . . . 0.0 115.508 167.118 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.93 -47.81 64.81 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 121.319 1.872 . . . . 0.0 113.51 171.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 . . . . . 0 CA--C 1.552 1.048 0 O-C-N 120.397 -1.439 . . . . 0.0 112.146 175.168 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.6 pt . . . . . 0 N--CA 1.484 1.247 0 CA-C-O 118.836 -0.602 . . . . 0.0 111.348 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -58.42 -56.39 22.79 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-O 116.482 -1.723 . . . . 0.0 111.035 171.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -58.43 -31.07 67.4 Favored 'General case' 0 CA--C 1.554 1.097 0 CA-C-N 123.913 3.051 . . . . 0.0 116.003 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -82.7 -62.86 1.49 Allowed 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 121.801 2.091 . . . . 0.0 111.941 173.403 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.52 4.57 1.32 Allowed 'General case' 0 CA--C 1.556 1.193 0 N-CA-C 117.422 2.379 . . . . 0.0 117.422 172.144 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.96 -34.17 26.51 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 123.54 2.882 . . . . 0.0 115.22 155.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 34.2 mtmm -62.74 -45.07 94.43 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 114.474 1.287 . . . . 0.0 114.474 -170.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER 62.19 -22.86 0.05 OUTLIER 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 118.61 2.819 . . . . 0.0 118.61 165.581 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.9 mttp -61.59 -40.3 94.3 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.028 1.331 . . . . 0.0 109.797 160.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -89.13 58.95 4.74 Favored 'General case' 0 CA--C 1.548 0.901 0 CA-C-O 123.707 1.718 . . . . 0.0 111.741 169.609 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.73 -39.52 94.35 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 112.73 -2.032 . . . . 0.0 114.225 -177.344 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 55.3 ttp -64.34 -30.47 71.51 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.613 1.165 . . . . 0.0 112.682 174.189 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 58.0 mt -87.19 -39.77 15.18 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 121.609 -0.682 . . . . 0.0 111.653 -178.109 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.34 -42.96 61.62 Favored 'General case' 0 CA--C 1.556 1.193 0 N-CA-C 115.122 1.527 . . . . 0.0 115.122 153.518 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.41 -34.24 77.31 Favored 'General case' 0 CA--C 1.553 1.082 0 O-C-N 118.855 -2.403 . . . . 0.0 111.253 171.117 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 8.7 t -61.81 -38.21 87.28 Favored 'General case' 0 CA--C 1.552 1.039 0 CA-C-N 120.526 1.512 . . . . 0.0 113.959 168.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 2.1 t -47.37 -54.88 10.04 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.565 0.746 . . . . 0.0 110.353 158.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.419 ' O ' ' HD2' ' A' ' 27' ' ' TYR 0.295 6.5 m-30 -72.38 -20.35 61.46 Favored 'General case' 0 CA--C 1.553 1.062 0 N-CA-C 114.512 1.301 . . . . 0.0 114.512 -174.822 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -58.92 -46.85 86.94 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 119.414 1.006 . . . . 0.0 113.241 156.269 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.07 -40.88 99.14 Favored Glycine 0 CA--C 1.535 1.314 0 N-CA-C 115.2 0.84 . . . . 0.0 115.2 170.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.43 -41.81 93.13 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 113.732 1.012 . . . . 0.0 113.732 174.3 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.419 ' HD2' ' O ' ' A' ' 23' ' ' TYR . 51.7 m-85 -71.52 72.47 0.72 Allowed 'General case' 0 CA--C 1.549 0.932 0 CA-C-O 123.707 1.717 . . . . 0.0 113.243 170.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 58.6 ttt85 -83.05 113.52 20.65 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-N 113.587 -1.642 . . . . 0.0 112.394 172.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 12.5 p30 -85.87 -112.02 0.04 OUTLIER 'General case' 0 CA--C 1.553 1.08 0 N-CA-C 113.754 1.02 . . . . 0.0 113.754 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -78.26 44.68 0.51 Allowed 'General case' 0 CA--C 1.554 1.101 0 CA-C-N 122.726 2.512 . . . . 0.0 115.391 -174.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 51.7 60.11 4.08 Favored 'General case' 0 CA--C 1.552 1.054 0 N-CA-C 116.818 2.155 . . . . 0.0 116.818 -177.511 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -71.99 154.53 41.11 Favored 'General case' 0 CA--C 1.554 1.118 0 N-CA-C 115.343 1.609 . . . . 0.0 115.343 178.362 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 32.1 m -78.99 109.83 13.65 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 120.311 -1.493 . . . . 0.0 110.747 173.151 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 54.1 m -59.34 -42.86 92.47 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 116.649 2.092 . . . . 0.0 116.649 -163.443 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -77.82 -19.2 55.36 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 120.342 1.428 . . . . 0.0 114.121 177.421 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.0 tm-20 -75.03 -48.4 24.24 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 120.479 1.49 . . . . 0.0 109.851 167.223 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.545 ' O ' HD12 ' A' ' 41' ' ' ILE . 20.6 ttt180 -53.04 -49.99 65.18 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.93 1.292 . . . . 0.0 111.619 171.165 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -91.57 11.31 24.64 Favored 'General case' 0 CA--C 1.55 0.973 0 N-CA-C 116.699 2.111 . . . . 0.0 116.699 173.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.14 -34.1 65.89 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 119.015 -2.303 . . . . 0.0 112.192 144.525 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 28.2 mmt180 -69.28 -47.23 65.18 Favored 'General case' 0 CA--C 1.55 0.979 0 O-C-N 121.654 -0.654 . . . . 0.0 111.847 169.543 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.545 HD12 ' O ' ' A' ' 37' ' ' ARG . 3.4 mp -70.46 83.76 0.23 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.945 0 CA-C-O 127.224 3.393 . . . . 0.0 112.49 165.045 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.76 -4.79 58.87 Favored 'General case' 0 CA--C 1.548 0.892 1 CA-C-N 107.001 -4.636 . . . . 0.0 115.215 -169.62 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 63.1 mt -61.38 -36.97 76.49 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.949 0 N-CA-C 114.898 1.444 . . . . 0.0 114.898 -160.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -173.31 162.25 33.37 Favored Glycine 0 CA--C 1.547 2.034 0 CA-C-N 120.606 1.548 . . . . 0.0 116.568 174.362 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_exo -53.17 -48.67 20.82 Favored 'Trans proline' 0 C--N 1.361 1.229 0 C-N-CA 125.138 3.892 . . . . 0.0 115.52 173.495 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 32.5 mmtt -66.44 -25.34 66.7 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 114.038 1.125 . . . . 0.0 114.038 172.551 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 11.1 t -67.22 -60.2 2.8 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 117.232 -1.366 . . . . 0.0 109.266 171.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -48.7 -42.72 13.34 Favored 'Isoleucine or valine' 0 C--N 1.353 0.741 0 CA-C-N 120.734 1.607 . . . . 0.0 114.993 170.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.63 -54.25 45.38 Favored 'General case' 0 CA--C 1.555 1.151 0 N-CA-C 114.771 1.397 . . . . 0.0 114.771 175.062 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.21 -47.12 72.47 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.772 1.229 . . . . 0.0 110.848 169.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.537 ' CE2' HD13 ' A' ' 41' ' ' ILE . 4.0 t80 -55.5 -53.41 56.71 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.385 1.474 . . . . 0.0 112.699 176.594 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 52.2 tptt -64.47 -37.7 88.45 Favored 'General case' 0 CA--C 1.55 0.952 0 CA-C-N 118.962 0.801 . . . . 0.0 113.046 179.296 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -61.91 -50.52 71.84 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 119.838 1.199 . . . . 0.0 113.328 172.3 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 2.7 m -60.43 -30.99 69.98 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 115.237 1.569 . . . . 0.0 115.237 168.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 53.9 t -58.33 -44.85 88.87 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 122.034 2.197 . . . . 0.0 112.622 165.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -57.83 -41.51 82.43 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 113.939 1.089 . . . . 0.0 113.939 169.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.0 mp -64.77 -42.83 96.04 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 N-CA-C 114.859 1.429 . . . . 0.0 114.859 168.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.1 -44.89 79.5 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 123.938 0.895 . . . . 0.0 112.984 171.42 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -61.9 -42.54 99.19 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.106 0.962 . . . . 0.0 113.305 169.494 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -60.03 -54.16 49.29 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-O 118.164 -0.922 . . . . 0.0 113.347 172.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 4.5 p -68.61 -22.87 27.28 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.959 0 CA-C-N 120.362 1.437 . . . . 0.0 113.47 179.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.45 -45.3 94.84 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 120.886 -1.134 . . . . 0.0 112.658 166.064 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -84.65 -53.74 5.18 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 114.01 1.115 . . . . 0.0 114.01 177.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 . . . . . 0 CA--C 1.548 0.884 0 CA-C-O 123.383 1.563 . . . . 0.0 112.52 -175.275 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.7 mp . . . . . 0 N--CA 1.486 1.357 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -60.71 -50.19 74.5 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 115.155 -2.355 . . . . 0.0 113.815 -178.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . 0.267 0.1 OUTLIER -71.66 -17.55 62.24 Favored 'General case' 0 CA--C 1.545 0.762 1 CA-C-N 126.004 4.002 . . . . 0.0 114.516 175.606 . . . . . . . . 4 3 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -78.91 -67.13 0.78 Allowed 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 122.216 2.28 . . . . 0.0 112.146 164.465 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.35 -6.66 31.22 Favored 'General case' 0 CA--C 1.551 0.999 0 N-CA-C 118.448 2.758 . . . . 0.0 118.448 178.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.62 -46.14 19.96 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 124.941 3.519 . . . . 0.0 112.199 156.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 46.5 mmtm -85.0 68.35 10.53 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-O 123.3 1.524 . . . . 0.0 111.0 -175.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -52.58 -10.61 0.16 Allowed 'General case' 0 CA--C 1.55 0.961 0 N-CA-C 116.451 2.019 . . . . 0.0 116.451 175.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -59.98 -31.0 69.5 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.476 1.11 . . . . 0.0 112.81 161.38 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 16.8 m-30 -82.79 59.04 4.59 Favored 'General case' 0 CA--C 1.549 0.941 0 CA-C-O 122.901 1.334 . . . . 0.0 110.361 172.155 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.23 -51.69 67.18 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 115.885 1.809 . . . . 0.0 115.885 -164.564 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 34.7 ttm -66.99 -32.71 74.12 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.418 1.087 . . . . 0.0 112.671 176.485 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 69.4 mt -82.37 -37.79 25.11 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.482 0.713 . . . . 0.0 112.524 -175.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -69.59 -29.45 66.99 Favored 'General case' 0 CA--C 1.546 0.804 0 O-C-N 120.742 -1.224 . . . . 0.0 112.084 164.441 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 47.5 tttm -65.76 -33.84 76.8 Favored 'General case' 0 CA--C 1.551 0.992 0 CA-C-N 121.784 2.084 . . . . 0.0 111.176 166.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.2 t -60.63 -40.54 92.31 Favored 'General case' 0 CA--C 1.553 1.072 0 CA-C-N 120.391 1.45 . . . . 0.0 113.229 167.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -48.77 -55.98 9.95 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.772 0.829 . . . . 0.0 111.58 160.376 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.281 10.0 m-30 -73.64 -22.43 59.99 Favored 'General case' 0 CA--C 1.551 0.994 0 N-CA-C 115.004 1.483 . . . . 0.0 115.004 -173.308 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -58.04 -49.25 77.52 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.607 1.163 . . . . 0.0 111.025 158.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.19 -33.63 87.43 Favored Glycine 0 CA--C 1.534 1.254 0 N-CA-C 116.199 1.24 . . . . 0.0 116.199 171.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.01 -38.59 89.21 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 118.84 1.32 . . . . 0.0 112.66 169.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -72.18 74.71 0.96 Allowed 'General case' 0 CA--C 1.556 1.204 0 CA-C-O 122.837 1.304 . . . . 0.0 111.482 164.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.88 129.54 36.35 Favored 'General case' 0 CA--C 1.549 0.91 0 O-C-N 120.381 -1.45 . . . . 0.0 113.173 176.468 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -86.87 140.36 29.73 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 123.987 0.915 . . . . 0.0 112.762 -178.286 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -64.77 -29.62 70.6 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 115.07 1.507 . . . . 0.0 115.07 176.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -92.2 -59.3 2.13 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.071 0.948 . . . . 0.0 111.82 -172.254 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -77.15 157.6 30.88 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-O 122.536 1.16 . . . . 0.0 113.932 173.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.7 t -95.91 156.67 16.23 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 121.063 -1.023 . . . . 0.0 111.003 159.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 90.4 m -58.53 -37.92 76.65 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 115.269 1.581 . . . . 0.0 115.269 -166.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.5 mp0 -68.41 -48.12 65.47 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.645 1.178 . . . . 0.0 114.116 -169.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.2 mp0 -67.23 -43.87 80.91 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.134 0.974 . . . . 0.0 112.666 176.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.55 ' O ' HD12 ' A' ' 41' ' ' ILE . 41.3 ttt180 -56.45 -48.53 76.86 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 114.933 -1.031 . . . . 0.0 111.715 169.308 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.409 ' HA ' ' HB ' ' A' ' 41' ' ' ILE . . . -76.97 -18.02 58.51 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 117.479 2.4 . . . . 0.0 117.479 175.369 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.99 -31.52 71.89 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-N 120.784 1.629 . . . . 0.0 112.882 158.502 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 43.2 ttp180 -74.27 -45.58 46.87 Favored 'General case' 0 CA--C 1.556 1.173 0 CA-C-O 117.511 -1.233 . . . . 0.0 113.897 165.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.553 HD13 ' CE2' ' A' ' 51' ' ' PHE . 2.0 mp -54.57 -52.82 36.97 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.195 0 CA-C-N 122.521 2.419 . . . . 0.0 115.928 168.016 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.8 ttpm? -9.47 69.89 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 130.518 3.527 . . . . 0.0 118.138 177.528 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.406 HG13 ' O ' ' A' ' 41' ' ' ILE . 66.8 mt -73.52 -42.1 56.05 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.676 1 CA-C-N 108.045 -4.161 . . . . 0.0 110.039 163.177 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -157.14 158.93 29.29 Favored Glycine 0 CA--C 1.545 1.959 0 CA-C-O 118.194 -1.337 . . . . 0.0 115.339 178.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -52.19 -44.58 45.09 Favored 'Trans proline' 0 C--N 1.361 1.188 0 C-N-CA 125.065 3.843 . . . . 0.0 115.55 172.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 28.9 tttm -66.83 -30.81 71.09 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 123.966 0.906 . . . . 0.0 112.255 176.418 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 35.8 t -66.64 -60.93 2.27 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-O 117.294 -1.336 . . . . 0.0 110.107 172.269 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -48.29 -39.85 9.64 Favored 'Isoleucine or valine' 0 C--N 1.353 0.752 0 CA-C-N 120.954 1.707 . . . . 0.0 114.85 172.245 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.4 tptp -70.76 -46.38 63.06 Favored 'General case' 0 CA--C 1.554 1.124 0 CA-C-O 117.092 -1.433 . . . . 0.0 114.656 174.362 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -49.42 -49.21 45.99 Favored 'General case' 0 N--CA 1.485 1.294 0 CA-C-N 122.689 2.495 . . . . 0.0 110.539 164.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.553 ' CE2' HD13 ' A' ' 41' ' ' ILE . 3.3 t80 -55.76 -57.5 11.77 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.24 1.416 . . . . 0.0 112.658 176.223 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 54.2 tptt -62.52 -37.67 86.98 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 113.799 1.037 . . . . 0.0 113.799 -179.392 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -73.99 -38.52 64.1 Favored 'General case' 0 CA--C 1.547 0.848 0 O-C-N 120.6 -1.312 . . . . 0.0 113.764 176.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.6 m -63.77 -32.68 74.26 Favored 'General case' 0 CA--C 1.549 0.935 0 O-C-N 120.632 -1.292 . . . . 0.0 114.35 163.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 50.3 t -58.79 -40.69 84.76 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-N 120.785 1.63 . . . . 0.0 112.955 166.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -56.44 -47.97 78.01 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-O 117.677 -1.154 . . . . 0.0 112.63 166.574 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 34.9 mm -56.2 -51.4 63.26 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 CA-C-N 120.477 1.489 . . . . 0.0 113.72 169.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.43 -48.21 74.77 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 114.313 1.227 . . . . 0.0 114.313 177.524 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 66.8 m-80 -70.23 -30.41 67.48 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 114.033 1.123 . . . . 0.0 114.033 174.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -62.4 -48.62 78.93 Favored 'General case' 0 CA--C 1.547 0.847 0 CA-C-N 119.623 1.101 . . . . 0.0 112.195 167.125 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 97.0 t -63.5 -34.49 67.79 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.892 0 C-N-CA 123.88 0.872 . . . . 0.0 112.749 173.077 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -62.22 -55.72 25.71 Favored 'General case' 0 CA--C 1.547 0.863 0 O-C-N 120.834 -1.166 . . . . 0.0 112.489 168.049 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.99 -21.39 66.84 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 115.234 1.568 . . . . 0.0 115.234 179.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 . . . . . 0 CA--C 1.55 0.951 0 N-CA-C 113.998 1.11 . . . . 0.0 113.998 165.941 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.7 mp . . . . . 0 N--CA 1.485 1.293 0 CA-C-O 118.698 -0.668 . . . . 0.0 110.377 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -53.76 -58.06 8.61 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-O 117.304 -1.332 . . . . 0.0 111.253 173.489 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -71.45 -7.83 49.94 Favored 'General case' 0 CA--C 1.555 1.147 0 CA-C-N 123.541 2.882 . . . . 0.0 115.124 -175.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -86.85 -69.41 0.68 Allowed 'General case' 0 CA--C 1.548 0.882 0 O-C-N 119.555 -1.966 . . . . 0.0 111.792 156.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.46 0.95 5.67 Favored 'General case' 0 CA--C 1.557 1.22 0 N-CA-C 118.622 2.823 . . . . 0.0 118.622 -178.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.39 -35.3 27.83 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 117.569 -3.207 . . . . 0.0 113.734 159.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 39.8 mmtm -72.12 -41.63 67.0 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 114.513 1.301 . . . . 0.0 114.513 -171.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 62.09 -26.96 0.06 Allowed 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 117.467 2.395 . . . . 0.0 117.467 173.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.3 mtmm -60.06 -36.78 78.09 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.885 1.674 . . . . 0.0 112.514 166.059 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -77.01 62.33 2.13 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-O 123.156 1.455 . . . . 0.0 111.739 167.193 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.15 -50.8 72.64 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 112.825 -1.989 . . . . 0.0 115.432 -167.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 32.6 ttm -65.64 -29.82 70.44 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.938 0.895 . . . . 0.0 112.494 177.124 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 56.3 mt -85.52 -41.69 15.09 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.787 0.835 . . . . 0.0 112.097 -174.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.62 -28.2 69.46 Favored 'General case' 0 CA--C 1.548 0.894 0 O-C-N 120.338 -1.476 . . . . 0.0 112.626 162.295 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.4 tmtm? -65.7 -36.82 84.73 Favored 'General case' 0 CA--C 1.552 1.025 0 CA-C-N 121.786 2.085 . . . . 0.0 111.56 166.469 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 97.3 m -54.34 -41.98 69.71 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 121.838 2.108 . . . . 0.0 114.022 164.434 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -50.01 -54.46 20.0 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.243 0.617 . . . . 0.0 111.594 164.042 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.264 5.7 m-30 -73.47 -21.43 60.44 Favored 'General case' 0 CA--C 1.55 0.972 0 N-CA-C 113.858 1.059 . . . . 0.0 113.858 -175.225 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -60.59 -43.4 97.43 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 119.15 0.886 . . . . 0.0 113.123 159.225 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.15 -40.92 95.14 Favored Glycine 0 CA--C 1.535 1.335 0 CA-C-O 119.088 -0.84 . . . . 0.0 115.141 171.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.49 -48.48 69.69 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 118.609 1.205 . . . . 0.0 113.763 175.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -80.32 55.46 2.24 Favored 'General case' 0 CA--C 1.549 0.933 0 CA-C-O 122.999 1.38 . . . . 0.0 112.494 174.505 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 58.7 ttp180 -75.02 120.05 20.02 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 114.989 -1.005 . . . . 0.0 112.174 178.27 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 21.1 m120 -68.86 101.53 1.37 Allowed 'General case' 0 CA--C 1.546 0.805 0 CA-C-O 121.898 0.856 . . . . 0.0 110.607 163.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -69.25 64.06 0.15 Allowed 'General case' 0 CA--C 1.548 0.873 0 CA-C-O 123.638 1.685 . . . . 0.0 115.135 -172.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -123.94 -73.43 0.64 Allowed 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 113.531 -1.668 . . . . 0.0 111.694 173.379 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 52.6 tt0 -75.2 152.47 38.37 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 124.421 1.089 . . . . 0.0 113.391 168.011 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.1 p -74.57 141.66 44.75 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 121.052 -1.03 . . . . 0.0 113.084 172.188 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 31.5 p -64.54 -31.03 72.08 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 116.004 1.853 . . . . 0.0 116.004 -164.556 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -69.03 -28.84 66.93 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 114.731 1.382 . . . . 0.0 114.731 179.379 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.1 mp0 -72.24 -45.48 60.04 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 120.383 1.447 . . . . 0.0 111.671 172.484 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.525 ' O ' HD12 ' A' ' 41' ' ' ILE . 35.9 ttm180 -60.52 -47.89 84.16 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 113.764 -1.562 . . . . 0.0 111.355 173.14 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -80.08 -2.46 44.48 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 116.604 2.076 . . . . 0.0 116.604 171.452 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.68 -30.14 67.74 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 119.407 -2.058 . . . . 0.0 112.66 151.345 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -75.17 -39.21 60.47 Favored 'General case' 0 CA--C 1.549 0.92 0 O-C-N 120.362 -1.461 . . . . 0.0 114.715 162.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.533 HD13 ' CE2' ' A' ' 51' ' ' PHE 0.305 3.2 mp -69.81 82.4 0.18 Allowed 'Isoleucine or valine' 0 CA--C 1.552 1.037 0 CA-C-O 127.105 3.336 . . . . 0.0 113.705 168.379 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 55.2 mttp -95.38 16.83 15.81 Favored 'General case' 0 CA--C 1.547 0.831 1 CA-C-N 107.646 -4.343 . . . . 0.0 115.652 -176.53 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 82.5 mt -64.41 -36.85 78.41 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.917 0 CA-C-N 119.803 1.183 . . . . 0.0 113.249 -172.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -178.58 163.1 30.75 Favored Glycine 0 CA--C 1.545 1.909 0 CA-C-O 118.28 -1.289 . . . . 0.0 115.452 171.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo -52.51 -44.94 43.35 Favored 'Trans proline' 0 C--N 1.36 1.177 0 C-N-CA 124.983 3.789 . . . . 0.0 115.489 172.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 51.0 tttm -68.81 -27.86 66.24 Favored 'General case' 0 CA--C 1.55 0.981 0 C-N-CA 124.235 1.014 . . . . 0.0 112.413 176.559 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 37.9 t -68.56 -56.71 7.39 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-O 117.332 -1.318 . . . . 0.0 111.685 170.5 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -52.11 -38.72 24.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 CA-C-N 121.244 1.838 . . . . 0.0 115.213 170.18 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 58.3 tttm -55.06 -59.71 4.38 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 123.75 0.82 . . . . 0.0 113.147 168.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.33 -48.85 65.23 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 124.4 1.08 . . . . 0.0 111.786 172.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.533 ' CE2' HD13 ' A' ' 41' ' ' ILE . 2.5 t80 -57.06 -54.2 49.45 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.957 1.303 . . . . 0.0 112.807 177.308 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.434 ' O ' ' HD1' ' A' ' 56' ' ' TYR . 12.0 mmtt -64.51 -41.3 96.5 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 -179.417 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -65.97 -43.66 87.2 Favored 'General case' 0 CA--C 1.547 0.848 0 O-C-N 121.686 -0.634 . . . . 0.0 112.641 175.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 6.8 m -66.79 -25.75 66.61 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 115.585 1.698 . . . . 0.0 115.585 167.118 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 41.9 t -60.32 -38.21 82.99 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 122.542 2.428 . . . . 0.0 112.01 163.257 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.434 ' HD1' ' O ' ' A' ' 52' ' ' LYS . 36.5 m-85 -61.03 -41.69 97.05 Favored 'General case' 0 CA--C 1.546 0.804 0 O-C-N 121.05 -1.032 . . . . 0.0 113.239 166.447 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 25.2 mm -58.44 -45.28 89.94 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 CA-C-N 120.509 1.504 . . . . 0.0 114.269 166.512 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.541 ' O ' ' HG2' ' A' ' 62' ' ' ARG . . . -51.18 -50.45 58.98 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.17 0.588 . . . . 0.0 112.126 172.604 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -61.21 -45.62 93.8 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 172.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -57.91 -42.43 84.69 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 124.685 1.194 . . . . 0.0 112.93 174.471 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 78.5 t -66.78 -53.02 38.76 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 CA-C-O 117.275 -1.345 . . . . 0.0 112.593 170.371 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.541 ' HG2' ' O ' ' A' ' 58' ' ' ALA . 68.6 mmt-85 -64.51 -27.88 69.28 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 121.633 2.015 . . . . 0.0 114.364 -177.246 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.31 -28.74 66.52 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 119.632 1.105 . . . . 0.0 113.907 168.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 . . . . . 0 CA--C 1.546 0.819 0 C-N-CA 123.96 0.904 . . . . 0.0 112.209 175.601 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 10.6 mt . . . . . 0 N--CA 1.487 1.383 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -59.55 -63.17 1.4 Allowed 'General case' 0 C--O 1.218 -0.598 0 CA-C-O 116.599 -1.667 . . . . 0.0 111.236 172.216 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -63.05 -24.41 67.9 Favored 'General case' 0 CA--C 1.556 1.205 0 CA-C-N 124.906 3.503 . . . . 0.0 115.001 -175.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -83.58 -62.81 1.48 Allowed 'General case' 0 CA--C 1.547 0.847 0 O-C-N 119.609 -1.932 . . . . 0.0 111.957 169.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -79.61 17.69 0.85 Allowed 'General case' 0 CA--C 1.558 1.263 0 N-CA-C 118.571 2.804 . . . . 0.0 118.571 172.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -84.57 -53.9 5.09 Favored 'General case' 0 N--CA 1.473 0.719 0 O-C-N 117.439 -3.288 . . . . 0.0 114.893 159.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.7 mttp -70.93 -27.92 64.12 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 114.467 1.284 . . . . 0.0 114.467 -166.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 61.46 -14.84 0.04 OUTLIER 'General case' 0 CA--C 1.552 1.023 0 N-CA-C 117.344 2.35 . . . . 0.0 117.344 171.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -55.26 -51.31 67.05 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.957 1.703 . . . . 0.0 112.991 169.367 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -80.43 66.63 6.0 Favored 'General case' 0 CA--C 1.552 1.032 0 CA-C-O 125.188 2.423 . . . . 0.0 112.07 167.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.68 -39.98 78.38 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 109.716 -3.402 . . . . 0.0 115.184 -174.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 59.1 mtp -66.17 -31.82 72.89 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 176.458 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 69.0 mt -85.88 -41.96 14.53 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.665 0.786 . . . . 0.0 111.843 -176.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.6 tmtt? -56.16 -39.03 71.71 Favored 'General case' 0 CA--C 1.556 1.199 0 N-CA-C 114.554 1.316 . . . . 0.0 114.554 156.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.7 tmtm? -66.72 -31.41 72.04 Favored 'General case' 0 CA--C 1.551 0.983 0 O-C-N 118.752 -2.468 . . . . 0.0 111.767 172.467 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.1 t -62.95 -37.3 86.51 Favored 'General case' 0 CA--C 1.553 1.089 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 166.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.3 t -46.85 -55.49 7.88 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 118.972 0.805 . . . . 0.0 110.503 158.234 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.319 5.8 m-30 -71.09 -23.18 62.07 Favored 'General case' 0 CA--C 1.556 1.202 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 -175.042 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -56.66 -44.57 81.51 Favored 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 114.63 1.344 . . . . 0.0 114.63 157.389 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.9 -45.41 93.67 Favored Glycine 0 CA--C 1.534 1.275 0 CA-C-O 119.678 -0.512 . . . . 0.0 114.227 168.057 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.17 -50.58 67.59 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 115.035 1.494 . . . . 0.0 115.035 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . 0.348 2.2 p90 -76.76 63.93 2.25 Favored 'General case' 0 CA--C 1.554 1.104 0 CA-C-N 122.901 2.591 . . . . 0.0 114.466 177.765 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 54.8 ttt-85 -92.19 131.9 37.07 Favored 'General case' 0 CA--C 1.549 0.926 0 O-C-N 121.276 -0.89 . . . . 0.0 113.058 177.006 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -105.17 143.69 33.0 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 123.758 0.823 . . . . 0.0 112.095 168.172 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -72.46 69.44 0.84 Allowed 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 115.859 1.8 . . . . 0.0 115.859 -174.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -136.61 -65.11 0.57 Allowed 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 112.557 -2.11 . . . . 0.0 111.906 168.578 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -71.98 161.61 30.67 Favored 'General case' 0 CA--C 1.551 1.008 0 N-CA-C 114.436 1.273 . . . . 0.0 114.436 171.325 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 13.5 t -112.64 148.94 33.56 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 119.933 -1.729 . . . . 0.0 111.982 170.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 41.5 t -55.72 -50.95 68.96 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 114.916 1.45 . . . . 0.0 114.916 -162.371 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.452 ' H ' ' CD ' ' A' ' 35' ' ' GLU . 0.8 OUTLIER -76.72 -23.46 53.09 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 113.794 1.035 . . . . 0.0 113.794 -177.747 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -72.39 -49.35 34.55 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.0 0.92 . . . . 0.0 110.888 167.496 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.581 ' O ' HD12 ' A' ' 41' ' ' ILE . 29.3 ttp85 -57.33 -47.32 81.88 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.258 172.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -88.24 5.81 39.87 Favored 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 117.202 2.297 . . . . 0.0 117.202 173.515 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.23 -35.62 73.98 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 119.176 -2.203 . . . . 0.0 111.895 147.055 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 32.9 mtp180 -71.07 -43.01 68.63 Favored 'General case' 0 CA--C 1.552 1.023 0 N-CA-C 114.101 1.149 . . . . 0.0 114.101 169.349 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.581 HD12 ' O ' ' A' ' 37' ' ' ARG 0.262 3.4 mp -70.58 87.29 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.961 0 CA-C-O 126.833 3.206 . . . . 0.0 113.153 165.472 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 33.9 mtmm -86.51 -6.56 58.86 Favored 'General case' 0 CA--C 1.544 0.719 1 CA-C-N 107.565 -4.379 . . . . 0.0 116.34 -174.542 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 46.5 mm -61.14 -36.7 74.36 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.858 0 N-CA-C 115.236 1.569 . . . . 0.0 115.236 -158.352 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -171.42 160.19 32.19 Favored Glycine 0 CA--C 1.545 1.95 0 CA-C-N 120.256 1.389 . . . . 0.0 115.856 175.434 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_exo -52.83 -49.77 16.39 Favored 'Trans proline' 0 C--N 1.361 1.235 0 C-N-CA 124.989 3.792 . . . . 0.0 115.243 173.363 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 48.2 mtpt -64.0 -27.68 69.29 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 113.589 0.959 . . . . 0.0 113.589 171.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 6.4 t -66.62 -59.93 3.16 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-O 117.345 -1.312 . . . . 0.0 109.113 174.33 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -50.71 -42.87 23.25 Favored 'Isoleucine or valine' 0 C--N 1.353 0.729 0 CA-C-N 120.585 1.539 . . . . 0.0 115.124 172.13 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.92 -56.81 17.43 Favored 'General case' 0 CA--C 1.551 0.998 0 N-CA-C 115.045 1.498 . . . . 0.0 115.045 174.728 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.89 -46.83 74.86 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.367 1.067 . . . . 0.0 110.93 171.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.563 ' CE2' HD13 ' A' ' 41' ' ' ILE . 3.1 t80 -53.8 -55.29 27.8 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.19 1.396 . . . . 0.0 112.445 176.338 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.0 tmtm? -64.3 -40.0 95.05 Favored 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 113.923 1.083 . . . . 0.0 113.923 -178.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 -67.18 -41.2 86.29 Favored 'General case' 0 CA--C 1.551 1.002 0 O-C-N 120.772 -1.205 . . . . 0.0 114.054 173.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 6.1 m -65.08 -29.94 70.85 Favored 'General case' 0 CA--C 1.55 0.951 0 N-CA-C 115.068 1.507 . . . . 0.0 115.068 167.122 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 60.9 m -58.67 -38.31 77.9 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 121.961 2.164 . . . . 0.0 113.121 162.151 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -60.09 -43.57 95.44 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-O 116.148 -1.882 . . . . 0.0 113.413 168.383 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.504 2.2 pp -69.15 -29.6 43.37 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 CA-C-N 123.767 2.985 . . . . 0.0 115.736 167.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.98 -41.39 78.31 Favored 'General case' 0 CA--C 1.549 0.929 0 CA-C-N 122.097 2.226 . . . . 0.0 112.901 168.191 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -68.06 -42.13 80.95 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 168.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -64.17 -28.67 69.92 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 120.886 1.675 . . . . 0.0 114.363 171.284 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 77.7 t -62.55 -51.08 76.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 CA-C-N 120.78 1.627 . . . . 0.0 111.609 164.029 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 77.2 mtt85 -60.16 -41.05 91.97 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 114.973 1.471 . . . . 0.0 114.973 175.134 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -84.42 7.09 20.85 Favored 'General case' 0 CA--C 1.55 0.975 0 N-CA-C 114.875 1.435 . . . . 0.0 114.875 173.247 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 . . . . . 0 N--CA 1.477 0.921 0 C-N-CA 126.963 2.105 . . . . 0.0 115.297 -179.31 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 10.3 mt . . . . . 0 N--CA 1.484 1.226 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.475 ' O ' ' HB2' ' A' ' 11' ' ' ALA . 47.3 mt-10 -62.64 -22.22 66.26 Favored 'General case' 0 CA--C 1.541 0.635 0 CA-C-O 117.228 -1.368 . . . . 0.0 114.128 178.471 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -71.46 -40.48 70.28 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-N 123.134 2.697 . . . . 0.0 113.52 168.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.411 ' OE2' ' HG3' ' A' ' 49' ' ' LYS . 11.7 mm-40 -83.14 -55.1 4.55 Favored 'General case' 0 N--CA 1.48 1.064 0 O-C-N 120.342 -1.474 . . . . 0.0 113.899 174.785 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.72 9.09 0.2 Allowed 'General case' 0 CA--C 1.557 1.237 0 N-CA-C 116.275 1.954 . . . . 0.0 116.275 164.036 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.475 ' HB2' ' O ' ' A' ' 7' ' ' GLU . . . -66.42 -41.79 88.7 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 118.475 -2.64 . . . . 0.0 112.916 147.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 47.1 mttp -80.64 57.44 2.94 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-O 122.451 1.119 . . . . 0.0 111.195 -168.496 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -65.92 -14.85 62.29 Favored 'General case' 0 CA--C 1.547 0.827 0 N-CA-C 114.705 1.372 . . . . 0.0 114.705 178.141 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.4 pttt -63.55 -34.19 77.25 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 159.083 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -101.51 72.53 1.41 Allowed 'General case' 0 CA--C 1.546 0.793 0 CA-C-O 124.966 2.317 . . . . 0.0 109.124 176.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.18 -43.46 74.36 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 109.278 -3.601 . . . . 0.0 114.352 -173.133 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 11.2 tpt -65.85 -32.57 74.16 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.604 0.761 . . . . 0.0 112.409 176.382 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 70.1 mt -83.13 -44.0 15.59 Favored 'General case' 0 CA--C 1.536 0.422 0 O-C-N 121.192 -0.942 . . . . 0.0 111.832 -175.204 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.66 -32.36 70.4 Favored 'General case' 0 CA--C 1.555 1.155 0 O-C-N 120.438 -1.414 . . . . 0.0 113.84 159.631 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -64.86 -31.94 73.4 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 123.835 3.016 . . . . 0.0 112.971 167.211 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 90.0 m -58.87 -38.44 78.81 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-N 121.511 1.96 . . . . 0.0 113.648 163.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . 0.267 0.1 OUTLIER -50.78 -49.62 57.9 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-N 118.839 0.745 . . . . 0.0 111.963 161.398 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.433 ' O ' ' HD1' ' A' ' 27' ' ' TYR 0.25 3.8 m-30 -73.83 -29.11 61.95 Favored 'General case' 0 CA--C 1.549 0.91 0 N-CA-C 113.822 1.045 . . . . 0.0 113.822 -176.584 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -58.79 -41.13 85.96 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.915 0.886 . . . . 0.0 113.136 162.132 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.94 -46.77 79.66 Favored Glycine 0 CA--C 1.534 1.246 0 CA-C-O 119.414 -0.659 . . . . 0.0 114.626 170.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.86 -34.16 72.76 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 114.067 1.136 . . . . 0.0 114.067 176.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.433 ' HD1' ' O ' ' A' ' 23' ' ' TYR . 42.3 m-85 -66.72 86.53 0.12 Allowed 'General case' 0 CA--C 1.549 0.909 0 CA-C-O 123.194 1.473 . . . . 0.0 112.296 163.562 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.0 tpm_? -56.19 125.05 20.03 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 113.723 -1.58 . . . . 0.0 113.272 169.036 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -86.58 -175.52 5.47 Favored 'General case' 0 CA--C 1.554 1.101 0 O-C-N 121.901 -0.499 . . . . 0.0 111.765 172.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -58.86 -82.2 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.97 0 N-CA-C 114.984 1.476 . . . . 0.0 114.984 -178.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -136.24 8.87 3.19 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 122.792 2.542 . . . . 0.0 114.544 177.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -72.0 146.11 47.9 Favored 'General case' 0 CA--C 1.552 1.021 0 O-C-N 120.68 -1.263 . . . . 0.0 112.32 174.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 73.6 p -81.86 158.31 24.06 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 113.842 1.053 . . . . 0.0 113.842 -178.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 73.5 m -60.43 -54.0 50.77 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.642 1.177 . . . . 0.0 114.134 -173.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.6 -21.95 63.54 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 -179.358 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -72.52 -54.67 8.56 Favored 'General case' 0 C--O 1.243 0.726 0 CA-C-N 119.864 1.211 . . . . 0.0 111.108 173.622 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.654 ' O ' HD12 ' A' ' 41' ' ' ILE . 29.2 ptt180 -64.82 -38.55 91.37 Favored 'General case' 0 C--N 1.347 0.486 0 CA-C-O 117.948 -1.025 . . . . 0.0 112.06 172.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . 0.261 . . -85.72 3.17 42.37 Favored 'General case' 0 CA--C 1.551 0.992 0 CA-C-N 122.359 2.345 . . . . 0.0 116.657 173.409 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -74.0 -31.73 63.08 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 119.153 -2.217 . . . . 0.0 112.656 148.051 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.452 ' HB3' ' O ' ' A' ' 37' ' ' ARG . 37.2 ttm180 -69.99 -45.09 68.07 Favored 'General case' 0 CA--C 1.556 1.184 0 O-C-N 121.284 -0.885 . . . . 0.0 112.854 166.62 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.654 HD12 ' O ' ' A' ' 37' ' ' ARG 0.273 3.3 mp -72.27 86.1 0.39 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.942 0 CA-C-O 126.759 3.171 . . . . 0.0 113.519 168.386 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 56.6 mttp -92.26 13.83 18.09 Favored 'General case' 0 CA--C 1.547 0.853 1 CA-C-N 107.975 -4.193 . . . . 0.0 116.252 -176.731 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 50.2 mm -65.25 -37.65 80.68 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.915 0 CA-C-N 119.758 1.163 . . . . 0.0 114.022 -170.355 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -179.39 161.97 28.4 Favored Glycine 0 CA--C 1.545 1.964 0 CA-C-O 117.9 -1.5 . . . . 0.0 115.656 173.208 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_exo -52.57 -48.79 20.05 Favored 'Trans proline' 0 C--N 1.361 1.212 0 C-N-CA 125.201 3.934 . . . . 0.0 115.721 175.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -64.89 -28.7 69.72 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 123.844 0.858 . . . . 0.0 113.267 174.13 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 41.8 t -68.26 -56.8 7.36 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.128 172.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -48.25 -43.5 12.04 Favored 'Isoleucine or valine' 0 C--N 1.352 0.69 0 CA-C-N 121.038 1.745 . . . . 0.0 114.57 169.362 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.411 ' HG3' ' OE2' ' A' ' 9' ' ' GLU . 24.9 tptp -58.7 -55.28 37.09 Favored 'General case' 0 CA--C 1.559 1.296 0 N-CA-C 114.946 1.461 . . . . 0.0 114.946 172.629 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.8 -46.23 74.47 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-N 120.639 1.563 . . . . 0.0 112.115 169.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.583 ' CE2' HD13 ' A' ' 41' ' ' ILE . 2.8 t80 -56.38 -58.39 8.21 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.802 1.241 . . . . 0.0 112.15 176.285 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.12 -42.73 91.26 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.453 1.101 . . . . 0.0 112.334 -178.651 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.488 ' O ' HD12 ' A' ' 57' ' ' ILE . 82.4 m-20 -61.31 -57.67 11.37 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 118.606 0.639 . . . . 0.0 112.553 175.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 12.5 m -61.38 -29.73 70.1 Favored 'General case' 0 CA--C 1.549 0.918 0 N-CA-C 115.359 1.615 . . . . 0.0 115.359 173.518 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 8.3 t -65.75 -38.61 89.57 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 121.118 1.781 . . . . 0.0 112.537 170.374 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 7.5 m-30 -59.63 -43.59 93.76 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-O 118.324 -0.846 . . . . 0.0 112.441 167.299 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.488 HD12 ' O ' ' A' ' 53' ' ' ASP . 2.1 mp -59.47 -47.51 90.52 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 CA-C-N 119.784 1.174 . . . . 0.0 113.946 168.785 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -51.64 -43.68 62.72 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 173.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 72.6 m-80 -72.0 -34.83 69.2 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 114.396 1.258 . . . . 0.0 114.396 171.578 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -60.18 -39.75 87.57 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 120.871 1.669 . . . . 0.0 113.316 166.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 99.2 t -62.33 -47.49 92.83 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.763 0 CA-C-N 119.436 1.017 . . . . 0.0 112.053 170.081 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 53.9 ttt180 -58.81 -40.09 83.07 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 113.732 1.012 . . . . 0.0 113.732 173.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -85.42 6.92 24.58 Favored 'General case' 0 CA--C 1.553 1.083 0 N-CA-C 115.339 1.607 . . . . 0.0 115.339 171.295 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 . . . . . 0 CA--C 1.552 1.027 0 C-N-CA 126.586 1.954 . . . . 0.0 115.06 -179.78 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 8.9 mt . . . . . 0 N--CA 1.482 1.155 0 CA-C-O 119.12 -0.467 . . . . 0.0 109.812 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -59.96 -67.55 0.37 Allowed 'General case' 0 CA--C 1.54 0.588 0 CA-C-O 116.686 -1.626 . . . . 0.0 111.301 169.26 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -66.19 -17.77 64.93 Favored 'General case' 0 CA--C 1.553 1.094 0 CA-C-N 124.658 3.39 . . . . 0.0 115.094 -173.16 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -85.8 -69.1 0.69 Allowed 'General case' 0 CA--C 1.545 0.758 0 O-C-N 119.796 -1.815 . . . . 0.0 111.75 164.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.87 1.37 12.84 Favored 'General case' 0 CA--C 1.554 1.112 0 N-CA-C 118.463 2.764 . . . . 0.0 118.463 -179.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -80.22 -50.19 10.59 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 117.911 -2.993 . . . . 0.0 111.708 155.228 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 69.2 tttt -88.48 70.47 8.98 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-O 124.059 1.885 . . . . 0.0 110.179 -171.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.4 m-30 -53.39 -3.66 0.03 OUTLIER 'General case' 0 CA--C 1.551 0.983 0 CA-C-N 112.096 -2.32 . . . . 0.0 117.187 178.053 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 58.9 tttp -60.06 -34.73 73.82 Favored 'General case' 0 CA--C 1.547 0.863 0 O-C-N 120.959 -1.088 . . . . 0.0 111.806 159.021 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 18.5 m-30 -80.91 59.87 3.92 Favored 'General case' 0 CA--C 1.549 0.907 0 O-C-N 120.594 -1.316 . . . . 0.0 111.191 174.08 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.55 -53.02 62.45 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 115.413 1.635 . . . . 0.0 115.413 -167.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 62.7 mtp -66.62 -27.72 67.92 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.454 0.909 . . . . 0.0 113.454 176.522 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 66.9 mt -86.59 -37.8 17.76 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.791 0.837 . . . . 0.0 112.521 -175.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.69 -32.08 71.65 Favored 'General case' 0 CA--C 1.545 0.755 0 O-C-N 120.963 -1.086 . . . . 0.0 111.993 163.511 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.2 ttpp -67.97 -26.13 65.78 Favored 'General case' 0 CA--C 1.555 1.166 0 O-C-N 119.844 -1.785 . . . . 0.0 111.892 169.473 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 11.3 t -66.81 -39.23 87.63 Favored 'General case' 0 CA--C 1.554 1.101 0 O-C-N 120.606 -1.309 . . . . 0.0 113.647 163.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -47.91 -50.63 26.21 Favored 'General case' 0 N--CA 1.483 1.213 0 CA-C-N 119.376 0.989 . . . . 0.0 111.419 160.794 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.297 4.3 m-30 -75.23 -22.79 57.66 Favored 'General case' 0 CA--C 1.554 1.132 0 N-CA-C 114.137 1.162 . . . . 0.0 114.137 -176.81 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -57.96 -42.1 84.27 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-N 120.067 1.303 . . . . 0.0 113.354 156.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.77 -49.37 79.31 Favored Glycine 0 CA--C 1.532 1.132 0 CA-C-O 119.226 -0.764 . . . . 0.0 114.252 169.532 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.22 -38.93 74.5 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 176.291 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -71.8 80.38 0.87 Allowed 'General case' 0 CA--C 1.55 0.977 0 CA-C-O 122.53 1.157 . . . . 0.0 112.042 164.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.7 tpt180 -63.31 119.29 9.37 Favored 'General case' 0 CA--C 1.55 0.958 0 N-CA-C 115.443 1.645 . . . . 0.0 115.443 174.318 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 34.7 m120 -81.06 118.63 22.67 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-O 121.627 0.727 . . . . 0.0 112.017 164.375 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -68.7 52.98 0.08 Allowed 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 126.014 1.725 . . . . 0.0 115.624 179.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -145.45 -75.13 0.22 Allowed 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 114.369 1.248 . . . . 0.0 114.369 -177.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -73.0 -178.74 2.92 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 115.772 1.767 . . . . 0.0 115.772 177.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 12.9 t -97.64 159.11 15.13 Favored 'General case' 0 CA--C 1.546 0.798 0 O-C-N 120.474 -1.392 . . . . 0.0 111.849 158.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 98.9 m -57.33 -50.87 71.57 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 115.268 1.581 . . . . 0.0 115.268 -167.187 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.98 -16.11 60.64 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 113.997 1.11 . . . . 0.0 113.997 -179.772 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -78.72 -50.42 11.41 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.741 1.216 . . . . 0.0 110.949 168.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.55 ' O ' HD12 ' A' ' 41' ' ' ILE . 12.4 ttp180 -54.32 -47.61 72.28 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 115.047 -0.978 . . . . 0.0 110.862 170.394 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -87.65 2.18 51.7 Favored 'General case' 0 CA--C 1.55 0.95 0 N-CA-C 117.638 2.458 . . . . 0.0 117.638 173.091 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.98 -30.87 70.24 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 118.789 -2.444 . . . . 0.0 112.091 150.377 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 37.2 ttp-105 -75.38 -44.1 46.74 Favored 'General case' 0 CA--C 1.553 1.069 0 N-CA-C 114.041 1.126 . . . . 0.0 114.041 166.482 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.551 HD13 ' CE2' ' A' ' 51' ' ' PHE 0.306 3.4 mp -66.87 85.78 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.551 0.995 0 CA-C-O 127.422 3.487 . . . . 0.0 113.393 165.825 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.9 tppt? -85.26 -4.79 59.28 Favored 'General case' 0 CA--C 1.547 0.849 1 CA-C-N 106.761 -4.745 . . . . 0.0 115.77 -168.725 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 72.3 mt -59.61 -39.28 79.08 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.884 0 N-CA-C 114.839 1.422 . . . . 0.0 114.839 -162.426 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -176.26 165.31 35.68 Favored Glycine 0 CA--C 1.544 1.846 0 CA-C-N 120.057 1.298 . . . . 0.0 116.02 174.127 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -60.83 -45.2 21.5 Favored 'Trans proline' 0 C--N 1.36 1.156 0 C-N-CA 124.35 3.366 . . . . 0.0 115.12 -179.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.1 mttm -59.95 -32.24 70.62 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.266 1.026 . . . . 0.0 113.568 170.015 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 26.1 t -68.52 -59.86 2.85 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-O 116.986 -1.483 . . . . 0.0 110.074 174.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -47.05 -46.37 8.59 Favored 'Isoleucine or valine' 0 C--N 1.353 0.75 0 CA-C-N 121.417 1.917 . . . . 0.0 115.058 171.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -60.56 -53.62 55.25 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 114.055 1.131 . . . . 0.0 114.055 174.157 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.06 -51.23 55.33 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 119.579 1.081 . . . . 0.0 111.134 171.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.551 ' CE2' HD13 ' A' ' 41' ' ' ILE . 2.9 t80 -55.26 -60.36 3.51 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.004 1.322 . . . . 0.0 111.983 178.203 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 57.7 tttp -59.83 -39.66 85.85 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 118.934 0.788 . . . . 0.0 113.06 -177.545 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -70.75 -48.78 52.63 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 119.311 0.96 . . . . 0.0 113.578 179.309 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.6 m -58.8 -38.82 79.43 Favored 'General case' 0 CA--C 1.55 0.952 0 N-CA-C 114.144 1.165 . . . . 0.0 114.144 168.53 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 13.5 t -63.84 -40.48 96.69 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 119.949 1.25 . . . . 0.0 113.487 175.251 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -62.49 -42.37 99.45 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 118.084 -0.96 . . . . 0.0 112.488 169.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 19.2 mm -59.94 -42.61 89.99 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 CA-C-N 120.251 1.387 . . . . 0.0 113.133 170.263 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.61 -50.22 66.13 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 123.807 0.843 . . . . 0.0 113.183 170.501 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -63.39 -40.95 98.62 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 113.815 1.043 . . . . 0.0 113.815 173.063 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.72 -43.85 95.33 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-O 117.668 -1.158 . . . . 0.0 113.844 170.709 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 62.5 t -61.35 -36.95 76.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 CA-C-N 121.405 1.911 . . . . 0.0 113.083 173.14 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 20.1 mmt85 -61.06 -37.8 83.94 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 119.795 1.179 . . . . 0.0 113.851 169.328 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.59 -48.64 18.57 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 113.664 0.987 . . . . 0.0 113.664 172.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 . . . . . 0 CA--C 1.552 1.033 0 CA-C-O 122.948 1.356 . . . . 0.0 113.829 -177.578 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . 0.366 1.0 OUTLIER . . . . . 0 N--CA 1.481 1.092 0 CA-C-O 117.297 -1.335 . . . . 0.0 112.565 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -62.85 -64.71 0.84 Allowed 'General case' 0 C--N 1.348 0.501 0 CA-C-O 115.817 -2.04 . . . . 0.0 111.268 173.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -71.44 -23.5 61.86 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 124.967 3.531 . . . . 0.0 115.716 -174.578 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -84.09 -55.56 4.14 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 122.332 2.333 . . . . 0.0 112.518 171.269 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.86 -3.87 43.78 Favored 'General case' 0 CA--C 1.553 1.078 0 N-CA-C 117.814 2.524 . . . . 0.0 117.814 174.247 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.59 -57.85 3.27 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 124.75 3.432 . . . . 0.0 112.271 155.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 41.7 mtmt -79.78 73.68 6.51 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-O 123.982 1.849 . . . . 0.0 111.907 -178.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.2 m-30 -50.1 -12.42 0.08 Allowed 'General case' 0 CA--C 1.551 1.012 0 CA-C-N 111.91 -2.404 . . . . 0.0 116.124 170.538 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -61.1 -28.03 68.8 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.763 1.225 . . . . 0.0 113.389 162.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 10.6 m-30 -81.39 60.27 4.37 Favored 'General case' 0 CA--C 1.552 1.029 0 O-C-N 120.154 -1.591 . . . . 0.0 109.917 171.143 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.17 -54.35 44.36 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 117.139 2.274 . . . . 0.0 117.139 -158.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 11.2 tpt -68.82 -31.95 71.3 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.269 1.028 . . . . 0.0 112.77 177.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 70.8 mt -79.51 -38.45 34.34 Favored 'General case' 0 CA--C 1.536 0.437 0 O-C-N 121.464 -0.773 . . . . 0.0 112.128 -177.393 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.09 -37.58 87.79 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 112.462 0.542 . . . . 0.0 112.462 162.334 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.5 tmtm? -67.66 -32.3 72.88 Favored 'General case' 0 CA--C 1.552 1.03 0 O-C-N 119.362 -2.086 . . . . 0.0 111.266 172.293 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 9.2 t -62.0 -39.77 93.36 Favored 'General case' 0 CA--C 1.554 1.112 0 CA-C-N 120.18 1.354 . . . . 0.0 113.962 167.238 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.8 t -45.46 -56.42 5.06 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.071 0.948 . . . . 0.0 110.971 159.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.403 ' HA ' ' HB3' ' A' ' 26' ' ' ALA 0.301 7.8 m-30 -72.61 -22.82 60.9 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 114.209 1.188 . . . . 0.0 114.209 -174.755 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -58.25 -40.31 81.43 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 159.144 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.91 -44.27 94.84 Favored Glycine 0 CA--C 1.534 1.278 0 N-CA-C 114.796 0.678 . . . . 0.0 114.796 166.355 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.403 ' HB3' ' HA ' ' A' ' 23' ' ' TYR . . . -63.4 -23.6 67.48 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 114.878 1.436 . . . . 0.0 114.878 177.461 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -62.23 84.8 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.064 0 CA-C-N 121.164 1.802 . . . . 0.0 110.768 161.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.1 tpm_? -62.36 108.38 1.09 Allowed 'General case' 0 CA--C 1.548 0.897 0 CA-C-O 122.55 1.167 . . . . 0.0 113.532 172.148 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -69.81 154.43 41.98 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-N 114.935 -1.029 . . . . 0.0 112.234 170.31 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -53.42 -50.93 64.17 Favored 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 115.737 1.755 . . . . 0.0 115.737 174.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -134.83 -21.09 1.71 Allowed 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 115.892 1.812 . . . . 0.0 115.892 -170.034 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -70.25 159.05 34.74 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 121.369 1.895 . . . . 0.0 114.868 179.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.8 t -107.55 160.54 15.6 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-O 122.513 1.149 . . . . 0.0 113.562 175.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 83.2 m -61.39 -54.95 37.02 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.434 1.493 . . . . 0.0 114.575 -164.257 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -73.72 -16.41 61.19 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 113.478 0.918 . . . . 0.0 113.478 -179.394 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -73.05 -50.78 21.02 Favored 'General case' 0 CA--C 1.548 0.874 0 O-C-N 120.389 -1.444 . . . . 0.0 111.044 168.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.592 ' O ' HD12 ' A' ' 41' ' ' ILE . 58.9 mtm180 -55.9 -51.18 68.49 Favored 'General case' 0 C--N 1.346 0.443 0 CA-C-N 114.943 -1.026 . . . . 0.0 111.528 168.759 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . 0.27 . . -90.02 11.71 19.81 Favored 'General case' 0 CA--C 1.551 0.993 0 N-CA-C 116.714 2.116 . . . . 0.0 116.714 178.563 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -72.62 -38.38 67.77 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 119.487 -2.008 . . . . 0.0 111.941 143.309 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 84.5 mtm180 -70.05 -45.8 66.35 Favored 'General case' 0 CA--C 1.554 1.103 0 N-CA-C 114.237 1.199 . . . . 0.0 114.237 168.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.592 HD12 ' O ' ' A' ' 37' ' ' ARG . 3.6 mp -72.68 89.08 0.46 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.892 0 CA-C-O 126.641 3.115 . . . . 0.0 113.134 168.026 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 34.2 mtmm -88.58 -7.23 56.78 Favored 'General case' 0 CA--C 1.543 0.697 1 CA-C-N 107.571 -4.377 . . . . 0.0 116.51 -174.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 47.0 mm -59.55 -38.9 77.7 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.903 0 N-CA-C 115.733 1.753 . . . . 0.0 115.733 -156.075 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -168.64 159.15 32.18 Favored Glycine 0 CA--C 1.545 1.936 0 CA-C-O 117.495 -1.725 . . . . 0.0 115.468 176.281 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_exo -52.55 -53.79 6.27 Favored 'Trans proline' 0 C--N 1.361 1.233 0 C-N-CA 125.183 3.922 . . . . 0.0 116.019 177.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 44.5 mttt -63.64 -27.56 69.32 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 172.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 34.8 t -65.15 -59.56 3.97 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-O 117.213 -1.375 . . . . 0.0 109.433 173.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -48.82 -45.41 15.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 CA-C-N 120.763 1.619 . . . . 0.0 115.027 171.039 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -62.29 -52.71 62.61 Favored 'General case' 0 CA--C 1.549 0.918 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 174.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.42 -46.46 69.79 Favored 'General case' 0 CA--C 1.548 0.893 0 CA-C-N 120.033 1.288 . . . . 0.0 110.815 171.077 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.581 ' CE2' HD13 ' A' ' 41' ' ' ILE . 3.9 t80 -55.1 -58.97 5.48 Favored 'General case' 0 C--N 1.35 0.6 0 C-N-CA 125.028 1.331 . . . . 0.0 112.386 175.504 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.403 ' O ' ' HD1' ' A' ' 56' ' ' TYR . 79.7 mttt -61.56 -38.98 89.46 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 119.264 0.938 . . . . 0.0 113.215 -178.256 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -72.8 -42.8 63.49 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 114.349 1.241 . . . . 0.0 114.349 178.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.4 m -60.02 -37.58 80.16 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 165.346 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 5.6 t -63.46 -38.01 89.5 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 119.681 1.128 . . . . 0.0 112.695 172.644 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.403 ' HD1' ' O ' ' A' ' 52' ' ' LYS . 18.5 m-85 -58.67 -45.28 89.77 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 119.771 1.169 . . . . 0.0 113.569 165.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 21.7 mm -59.92 -44.65 94.89 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 CA-C-N 119.569 1.077 . . . . 0.0 112.84 172.655 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.05 -45.64 75.28 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.393 1.077 . . . . 0.0 113.836 172.534 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -67.45 -34.24 76.77 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 114.145 1.165 . . . . 0.0 114.145 172.502 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -62.72 -46.11 89.61 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 119.818 1.19 . . . . 0.0 112.318 167.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 94.1 t -58.48 -42.28 83.97 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.842 0 CA-C-N 119.713 1.142 . . . . 0.0 112.55 172.648 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 43.7 ttt180 -59.29 -40.13 85.18 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 113.612 0.968 . . . . 0.0 113.612 171.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.27 -42.57 62.32 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 172.309 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 . . . . . 0 CA--C 1.543 0.701 0 N-CA-C 114.623 1.342 . . . . 0.0 114.623 178.731 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.5 mt . . . . . 0 N--CA 1.486 1.34 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -58.69 -60.38 3.91 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-O 116.955 -1.498 . . . . 0.0 111.82 173.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -66.76 -20.86 66.04 Favored 'General case' 0 CA--C 1.55 0.955 0 CA-C-N 123.803 3.002 . . . . 0.0 114.576 -176.263 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -85.84 -62.88 1.42 Allowed 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 121.795 2.089 . . . . 0.0 112.195 166.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.0 1.27 11.28 Favored 'General case' 0 CA--C 1.556 1.198 0 N-CA-C 117.936 2.569 . . . . 0.0 117.936 177.479 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.45 -50.62 12.3 Favored 'General case' 0 N--CA 1.474 0.729 0 O-C-N 117.517 -3.24 . . . . 0.0 111.781 154.466 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -80.19 70.46 6.82 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-O 122.847 1.308 . . . . 0.0 111.514 -177.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -55.09 -9.66 0.42 Allowed 'General case' 0 CA--C 1.552 1.029 0 N-CA-C 115.814 1.783 . . . . 0.0 115.814 172.486 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -61.51 -31.64 71.64 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.759 1.224 . . . . 0.0 113.274 160.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 14.3 m-30 -82.55 61.42 5.68 Favored 'General case' 0 CA--C 1.549 0.922 0 O-C-N 120.162 -1.586 . . . . 0.0 109.729 172.18 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.25 -52.09 62.47 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 115.7 1.741 . . . . 0.0 115.7 -164.206 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 34.4 ttm -67.98 -30.07 69.26 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.495 1.118 . . . . 0.0 112.813 177.217 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 66.0 mt -84.42 -39.39 19.05 Favored 'General case' 0 CA--C 1.536 0.406 0 O-C-N 121.381 -0.824 . . . . 0.0 112.356 -174.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.1 pptp? -67.26 -31.6 72.06 Favored 'General case' 0 CA--C 1.547 0.834 0 O-C-N 121.177 -0.952 . . . . 0.0 112.124 163.077 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.3 ttpp -68.2 -27.34 66.31 Favored 'General case' 0 CA--C 1.556 1.18 0 O-C-N 119.513 -1.992 . . . . 0.0 112.188 169.222 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 11.6 t -66.26 -39.39 89.44 Favored 'General case' 0 CA--C 1.553 1.071 0 O-C-N 120.44 -1.413 . . . . 0.0 113.593 165.43 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -47.77 -52.59 18.18 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.672 0.789 . . . . 0.0 110.932 160.472 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.311 5.0 m-30 -74.85 -18.33 60.46 Favored 'General case' 0 CA--C 1.555 1.143 0 N-CA-C 114.392 1.256 . . . . 0.0 114.392 -176.074 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -60.54 -44.56 95.96 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 120.401 1.455 . . . . 0.0 113.667 155.583 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.02 -42.25 98.31 Favored Glycine 0 CA--C 1.534 1.275 0 CA-C-O 119.51 -0.606 . . . . 0.0 114.288 170.4 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.87 -42.53 97.49 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 113.678 0.992 . . . . 0.0 113.678 172.647 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -70.91 69.47 0.46 Allowed 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 123.579 1.657 . . . . 0.0 113.855 170.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 29.8 ttt85 -89.07 84.29 6.57 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-O 123.502 1.62 . . . . 0.0 111.339 172.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 30.3 m120 -103.63 -23.42 13.47 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 113.781 -1.554 . . . . 0.0 115.186 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -76.97 -99.73 0.02 OUTLIER 'General case' 0 CA--C 1.557 1.212 0 N-CA-C 116.231 1.937 . . . . 0.0 116.231 -178.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -176.18 -34.61 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 125.652 1.581 . . . . 0.0 113.28 -166.678 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -67.29 163.06 21.37 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 115.889 1.811 . . . . 0.0 115.889 -169.324 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.0 t -82.98 153.56 24.93 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 120.46 -1.4 . . . . 0.0 112.425 176.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 72.9 m -59.3 -49.51 77.56 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 114.436 1.273 . . . . 0.0 114.436 -162.206 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -71.78 -22.53 61.57 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 113.697 0.999 . . . . 0.0 113.697 177.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -72.17 -52.49 16.35 Favored 'General case' 0 CA--C 1.548 0.874 0 O-C-N 119.731 -1.856 . . . . 0.0 111.177 171.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.553 ' O ' HD12 ' A' ' 41' ' ' ILE . 26.4 ttt-85 -53.32 -51.88 60.96 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 112.607 -2.088 . . . . 0.0 110.422 172.214 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -88.57 6.31 38.7 Favored 'General case' 0 CA--C 1.55 0.961 0 N-CA-C 117.332 2.345 . . . . 0.0 117.332 175.662 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.51 -35.73 75.79 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 118.944 -2.347 . . . . 0.0 111.786 148.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 88.2 mtm-85 -70.69 -41.72 71.64 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 113.668 0.988 . . . . 0.0 113.668 167.027 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.568 HD13 ' CE2' ' A' ' 51' ' ' PHE 0.253 3.4 mp -76.81 78.91 0.66 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.918 0 CA-C-O 127.378 3.466 . . . . 0.0 113.016 166.214 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -95.92 14.93 21.88 Favored 'General case' 0 CA--C 1.547 0.847 1 CA-C-N 107.346 -4.479 . . . . 0.0 115.381 -172.284 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 70.6 mt -66.57 -40.82 87.24 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.858 0 N-CA-C 113.641 0.978 . . . . 0.0 113.641 -168.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -169.9 159.89 32.68 Favored Glycine 0 CA--C 1.546 1.994 0 CA-C-O 117.793 -1.559 . . . . 0.0 115.894 175.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_exo -52.23 -48.62 20.8 Favored 'Trans proline' 0 C--N 1.362 1.243 0 C-N-CA 125.224 3.949 . . . . 0.0 115.851 175.417 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 22.3 mttm -62.19 -30.65 71.22 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 113.944 1.09 . . . . 0.0 113.944 172.052 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 24.7 t -68.79 -59.93 2.74 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-O 116.987 -1.482 . . . . 0.0 109.73 174.153 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -47.76 -43.98 10.35 Favored 'Isoleucine or valine' 0 C--N 1.354 0.769 0 CA-C-N 121.444 1.929 . . . . 0.0 114.996 171.278 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.27 -54.27 47.75 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 115.544 1.683 . . . . 0.0 115.544 172.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.81 -49.65 62.33 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.25 1.02 . . . . 0.0 110.786 170.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.568 ' CE2' HD13 ' A' ' 41' ' ' ILE . 4.1 t80 -55.45 -59.48 4.76 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.941 1.296 . . . . 0.0 112.358 177.361 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 56.6 mtmt -62.12 -35.86 80.0 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 114.317 1.228 . . . . 0.0 114.317 -178.02 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -76.44 -39.44 53.4 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 119.913 1.233 . . . . 0.0 113.877 177.434 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 5.3 m -63.01 -33.77 76.13 Favored 'General case' 0 CA--C 1.551 1.018 0 O-C-N 120.722 -1.236 . . . . 0.0 114.187 163.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 6.2 t -63.82 -37.64 88.13 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 120.758 1.617 . . . . 0.0 112.814 171.226 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -57.7 -45.93 85.01 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 123.985 0.914 . . . . 0.0 112.947 165.408 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 30.6 mm -58.2 -48.81 83.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 CA-C-N 120.141 1.337 . . . . 0.0 113.96 168.059 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.64 -45.7 77.57 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 176.496 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -66.24 -35.22 79.84 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 114.061 1.134 . . . . 0.0 114.061 171.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.437 ' O ' ' HG2' ' A' ' 64' ' ' GLU . 19.2 tt0 -61.58 -44.8 96.35 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 119.862 1.21 . . . . 0.0 111.949 168.767 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 85.2 t -61.43 -43.39 96.68 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.746 0 C-N-CA 123.959 0.904 . . . . 0.0 112.746 171.662 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 32.2 mmt180 -63.93 -29.75 70.89 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 120.207 1.367 . . . . 0.0 114.503 170.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.18 -55.06 10.32 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 120.057 1.299 . . . . 0.0 113.214 166.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 60' ' ' GLN . 15.5 pt-20 . . . . . 0 CA--C 1.555 1.171 0 CA-C-N 121.18 1.809 . . . . 0.0 113.382 178.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.7 mt . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.01 -53.51 56.95 Favored 'General case' 0 C--O 1.219 -0.518 0 CA-C-O 115.592 -2.147 . . . . 0.0 113.037 175.024 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -62.08 -20.62 64.2 Favored 'General case' 0 N--CA 1.477 0.914 1 CA-C-N 126.023 4.01 . . . . 0.0 114.885 178.659 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -84.49 -65.06 1.05 Allowed 'General case' 0 CA--C 1.545 0.756 0 O-C-N 120.784 -1.197 . . . . 0.0 111.848 167.515 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.15 3.52 10.46 Favored 'General case' 0 CA--C 1.556 1.197 0 N-CA-C 119.134 3.012 . . . . 0.0 119.134 177.357 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.46 -51.64 8.08 Favored 'General case' 0 N--CA 1.472 0.635 0 O-C-N 117.153 -3.467 . . . . 0.0 111.892 157.161 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.4 mtpt -84.27 70.1 10.54 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-O 123.568 1.651 . . . . 0.0 111.293 -173.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -56.55 0.35 0.03 OUTLIER 'General case' 0 CA--C 1.555 1.14 0 N-CA-C 116.474 2.027 . . . . 0.0 116.474 174.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -58.83 -51.43 70.03 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.549 1.54 . . . . 0.0 112.434 167.455 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . 0.259 0.6 OUTLIER -87.73 69.5 9.6 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-O 125.395 2.521 . . . . 0.0 111.681 170.285 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.42 -34.21 66.56 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 109.667 -3.424 . . . . 0.0 115.012 -177.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 58.2 ttp -63.32 -39.57 94.93 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.652 1.181 . . . . 0.0 113.092 173.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 79.4 mt -81.77 -38.55 25.46 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 121.568 -0.708 . . . . 0.0 112.259 -177.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.8 tmtt? -62.99 -34.03 76.67 Favored 'General case' 0 CA--C 1.552 1.052 0 O-C-N 121.445 -0.784 . . . . 0.0 112.999 163.289 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.6 tttm -61.76 -39.99 93.55 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 121.806 2.093 . . . . 0.0 111.168 166.409 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 96.3 m -53.3 -42.7 66.91 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 122.405 2.366 . . . . 0.0 113.914 168.521 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -48.65 -56.83 7.38 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.402 0.681 . . . . 0.0 111.35 163.689 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.265 7.8 m-30 -74.59 -21.23 59.59 Favored 'General case' 0 CA--C 1.553 1.074 0 N-CA-C 114.716 1.376 . . . . 0.0 114.716 -173.64 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -61.12 -40.11 92.54 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.485 1.114 . . . . 0.0 112.972 159.344 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.13 -54.75 35.37 Favored Glycine 0 CA--C 1.533 1.19 0 CA-C-O 119.197 -0.779 . . . . 0.0 113.975 166.216 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.94 -46.45 89.36 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 115.009 1.485 . . . . 0.0 115.009 -179.342 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -76.28 63.44 1.92 Allowed 'General case' 0 CA--C 1.55 0.946 0 CA-C-N 120.485 1.493 . . . . 0.0 113.267 176.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 73.4 ttt180 -77.15 78.19 3.69 Favored 'General case' 0 CA--C 1.548 0.886 0 CA-C-O 123.911 1.815 . . . . 0.0 112.448 179.311 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -89.33 -21.17 23.26 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 113.551 -1.659 . . . . 0.0 112.103 169.633 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -69.62 12.14 0.21 Allowed 'General case' 0 CA--C 1.551 0.989 0 N-CA-C 116.948 2.203 . . . . 0.0 116.948 -169.53 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . 0.309 3.3 p30 47.53 -35.07 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.179 0 N-CA-C 119.752 3.242 . . . . 0.0 119.752 -172.49 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -64.22 179.05 0.61 Allowed 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 126.85 2.06 . . . . 0.0 116.242 179.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 13.7 t -88.95 155.56 19.43 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 120.691 -1.256 . . . . 0.0 113.687 175.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 71.3 m -57.38 -53.01 62.98 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.672 1.589 . . . . 0.0 114.965 -167.232 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -73.54 -21.39 60.39 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 114.59 1.329 . . . . 0.0 114.59 -173.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -80.02 -47.8 14.34 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 121.64 2.018 . . . . 0.0 110.592 173.068 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.621 ' O ' HD12 ' A' ' 41' ' ' ILE . 15.9 ptt180 -63.22 -37.3 86.69 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-O 118.612 -0.709 . . . . 0.0 111.848 173.122 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -85.86 -3.33 58.89 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 116.8 2.148 . . . . 0.0 116.8 170.055 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -68.16 -25.66 65.38 Favored 'General case' 0 CA--C 1.543 0.685 0 O-C-N 119.236 -2.165 . . . . 0.0 112.306 150.344 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 42.2 mtt180 -73.62 -57.43 4.0 Favored 'General case' 0 CA--C 1.553 1.091 0 CA-C-O 117.414 -1.279 . . . . 0.0 112.471 164.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.621 HD12 ' O ' ' A' ' 37' ' ' ARG 0.317 3.2 mp -54.72 93.79 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.552 1.02 0 CA-C-O 127.178 3.37 . . . . 0.0 114.596 174.009 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.23 -8.37 53.63 Favored 'General case' 0 CA--C 1.544 0.732 1 CA-C-N 106.86 -4.7 . . . . 0.0 117.382 -166.636 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 2.2 mp -59.51 -37.03 68.05 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.968 0 N-CA-C 115.09 1.515 . . . . 0.0 115.09 -164.162 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 175.92 166.01 32.69 Favored Glycine 0 CA--C 1.545 1.94 0 CA-C-N 120.341 1.428 . . . . 0.0 116.184 171.425 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_exo -52.24 -46.2 34.31 Favored 'Trans proline' 0 C--N 1.361 1.206 0 C-N-CA 125.22 3.947 . . . . 0.0 115.897 175.35 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 48.4 tttm -68.42 -28.46 67.1 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 124.341 1.056 . . . . 0.0 112.352 177.001 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 30.1 t -67.33 -57.62 6.31 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 117.36 -1.305 . . . . 0.0 111.626 170.549 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -49.91 -39.72 15.62 Favored 'Isoleucine or valine' 0 C--N 1.352 0.71 0 CA-C-N 120.628 1.558 . . . . 0.0 114.536 170.19 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 26.5 tptp -63.63 -51.75 63.81 Favored 'General case' 0 CA--C 1.553 1.081 0 N-CA-C 114.614 1.339 . . . . 0.0 114.614 173.422 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.66 -49.45 62.29 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 119.963 1.256 . . . . 0.0 111.002 168.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.568 ' CE2' HD13 ' A' ' 41' ' ' ILE . 3.7 t80 -54.55 -56.68 16.37 Favored 'General case' 0 C--N 1.349 0.571 0 C-N-CA 125.226 1.41 . . . . 0.0 112.01 176.459 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 17.5 mmtt -60.47 -40.13 90.12 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 114.425 1.268 . . . . 0.0 114.425 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -65.52 -50.1 66.48 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 120.023 1.283 . . . . 0.0 113.958 175.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 5.9 m -62.63 -30.88 71.69 Favored 'General case' 0 CA--C 1.55 0.958 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 169.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.8 t -69.34 -33.91 73.82 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 120.516 1.507 . . . . 0.0 113.446 171.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -59.53 -42.35 92.11 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 120.577 -1.327 . . . . 0.0 112.771 164.207 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 26.0 mm -59.62 -44.44 93.39 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 N-CA-C 113.623 0.971 . . . . 0.0 113.623 168.239 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.54 -40.11 78.1 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 113.783 1.031 . . . . 0.0 113.783 172.272 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 50.0 m-80 -60.7 -43.73 97.41 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 119.994 1.27 . . . . 0.0 113.519 168.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -62.46 -41.14 98.56 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 113.221 0.822 . . . . 0.0 113.221 172.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 95.7 t -63.76 -45.77 96.33 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.738 0 CA-C-N 118.783 0.719 . . . . 0.0 112.437 169.587 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -66.29 -23.39 66.38 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 120.939 1.7 . . . . 0.0 115.564 174.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.79 -28.28 69.47 Favored 'General case' 0 CA--C 1.548 0.886 0 CA-C-N 119.807 1.185 . . . . 0.0 113.706 162.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 . . . . . 0 CA--C 1.546 0.79 0 C-N-CA 124.049 0.939 . . . . 0.0 112.082 173.214 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . 0.366 1.0 OUTLIER . . . . . 0 N--CA 1.481 1.092 0 CA-C-O 117.297 -1.335 . . . . 0.0 112.565 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -62.85 -64.71 0.84 Allowed 'General case' 0 C--N 1.348 0.501 0 CA-C-O 115.817 -2.04 . . . . 0.0 111.268 173.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -71.44 -23.5 61.86 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 124.967 3.531 . . . . 0.0 115.716 -174.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -84.09 -55.56 4.14 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 122.332 2.333 . . . . 0.0 112.518 171.269 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.86 -3.87 43.78 Favored 'General case' 0 CA--C 1.553 1.078 0 N-CA-C 117.814 2.524 . . . . 0.0 117.814 174.247 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.59 -57.85 3.27 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 124.75 3.432 . . . . 0.0 112.271 155.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 41.7 mtmt -79.78 73.68 6.51 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-O 123.982 1.849 . . . . 0.0 111.907 -178.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.2 m-30 -50.1 -12.42 0.08 Allowed 'General case' 0 CA--C 1.551 1.012 0 CA-C-N 111.91 -2.404 . . . . 0.0 116.124 170.538 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -61.1 -28.03 68.8 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.763 1.225 . . . . 0.0 113.389 162.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 10.6 m-30 -81.39 60.27 4.37 Favored 'General case' 0 CA--C 1.552 1.029 0 O-C-N 120.154 -1.591 . . . . 0.0 109.917 171.143 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.17 -54.35 44.36 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 117.139 2.274 . . . . 0.0 117.139 -158.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 11.2 tpt -68.82 -31.95 71.3 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.269 1.028 . . . . 0.0 112.77 177.456 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 70.8 mt -79.51 -38.45 34.34 Favored 'General case' 0 CA--C 1.536 0.437 0 O-C-N 121.464 -0.773 . . . . 0.0 112.128 -177.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.09 -37.58 87.79 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 112.462 0.542 . . . . 0.0 112.462 162.334 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.5 tmtm? -67.66 -32.3 72.88 Favored 'General case' 0 CA--C 1.552 1.03 0 O-C-N 119.362 -2.086 . . . . 0.0 111.266 172.293 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 9.2 t -62.0 -39.77 93.36 Favored 'General case' 0 CA--C 1.554 1.112 0 CA-C-N 120.18 1.354 . . . . 0.0 113.962 167.238 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.8 t -45.46 -56.42 5.06 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.071 0.948 . . . . 0.0 110.971 159.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.403 ' HA ' ' HB3' ' A' ' 26' ' ' ALA 0.301 7.8 m-30 -72.61 -22.82 60.9 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 114.209 1.188 . . . . 0.0 114.209 -174.755 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -58.25 -40.31 81.43 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 159.144 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.91 -44.27 94.84 Favored Glycine 0 CA--C 1.534 1.278 0 N-CA-C 114.796 0.678 . . . . 0.0 114.796 166.355 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.403 ' HB3' ' HA ' ' A' ' 23' ' ' TYR . . . -63.4 -23.6 67.48 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 114.878 1.436 . . . . 0.0 114.878 177.461 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -62.23 84.8 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.064 0 CA-C-N 121.164 1.802 . . . . 0.0 110.768 161.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.1 tpm_? -62.36 108.38 1.09 Allowed 'General case' 0 CA--C 1.548 0.897 0 CA-C-O 122.55 1.167 . . . . 0.0 113.532 172.148 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -69.81 154.43 41.98 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-N 114.935 -1.029 . . . . 0.0 112.234 170.31 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -53.42 -50.93 64.17 Favored 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 115.737 1.755 . . . . 0.0 115.737 174.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -134.83 -21.09 1.71 Allowed 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 115.892 1.812 . . . . 0.0 115.892 -170.034 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -70.25 159.05 34.74 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 121.369 1.895 . . . . 0.0 114.868 179.475 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.8 t -107.55 160.54 15.6 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-O 122.513 1.149 . . . . 0.0 113.562 175.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 83.2 m -61.39 -54.95 37.02 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.434 1.493 . . . . 0.0 114.575 -164.257 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -73.72 -16.41 61.19 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 113.478 0.918 . . . . 0.0 113.478 -179.394 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -73.05 -50.78 21.02 Favored 'General case' 0 CA--C 1.548 0.874 0 O-C-N 120.389 -1.444 . . . . 0.0 111.044 168.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.592 ' O ' HD12 ' A' ' 41' ' ' ILE . 58.9 mtm180 -55.9 -51.18 68.49 Favored 'General case' 0 C--N 1.346 0.443 0 CA-C-N 114.943 -1.026 . . . . 0.0 111.528 168.759 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . 0.27 . . -90.02 11.71 19.81 Favored 'General case' 0 CA--C 1.551 0.993 0 N-CA-C 116.714 2.116 . . . . 0.0 116.714 178.563 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -72.62 -38.38 67.77 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 119.487 -2.008 . . . . 0.0 111.941 143.309 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 84.5 mtm180 -70.05 -45.8 66.35 Favored 'General case' 0 CA--C 1.554 1.103 0 N-CA-C 114.237 1.199 . . . . 0.0 114.237 168.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.592 HD12 ' O ' ' A' ' 37' ' ' ARG . 3.6 mp -72.68 89.08 0.46 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.892 0 CA-C-O 126.641 3.115 . . . . 0.0 113.134 168.026 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 34.2 mtmm -88.58 -7.23 56.78 Favored 'General case' 0 CA--C 1.543 0.697 1 CA-C-N 107.571 -4.377 . . . . 0.0 116.51 -174.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 47.0 mm -59.55 -38.9 77.7 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.903 0 N-CA-C 115.733 1.753 . . . . 0.0 115.733 -156.075 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -168.64 159.15 32.18 Favored Glycine 0 CA--C 1.545 1.936 0 CA-C-O 117.495 -1.725 . . . . 0.0 115.468 176.281 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_exo -52.55 -53.79 6.27 Favored 'Trans proline' 0 C--N 1.361 1.233 0 C-N-CA 125.183 3.922 . . . . 0.0 116.019 177.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 44.5 mttt -63.64 -27.56 69.32 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 172.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 34.8 t -65.15 -59.56 3.97 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-O 117.213 -1.375 . . . . 0.0 109.433 173.155 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -48.82 -45.41 15.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 CA-C-N 120.763 1.619 . . . . 0.0 115.027 171.039 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -62.29 -52.71 62.61 Favored 'General case' 0 CA--C 1.549 0.918 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 174.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.42 -46.46 69.79 Favored 'General case' 0 CA--C 1.548 0.893 0 CA-C-N 120.033 1.288 . . . . 0.0 110.815 171.077 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.581 ' CE2' HD13 ' A' ' 41' ' ' ILE . 3.9 t80 -55.1 -58.97 5.48 Favored 'General case' 0 C--N 1.35 0.6 0 C-N-CA 125.028 1.331 . . . . 0.0 112.386 175.504 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.403 ' O ' ' HD1' ' A' ' 56' ' ' TYR . 79.7 mttt -61.56 -38.98 89.46 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 119.264 0.938 . . . . 0.0 113.215 -178.256 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -72.8 -42.8 63.49 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 114.349 1.241 . . . . 0.0 114.349 178.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.4 m -60.02 -37.58 80.16 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 165.346 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 5.6 t -63.46 -38.01 89.5 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 119.681 1.128 . . . . 0.0 112.695 172.644 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.403 ' HD1' ' O ' ' A' ' 52' ' ' LYS . 18.5 m-85 -58.67 -45.28 89.77 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 119.771 1.169 . . . . 0.0 113.569 165.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 21.7 mm -59.92 -44.65 94.89 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 CA-C-N 119.569 1.077 . . . . 0.0 112.84 172.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.05 -45.64 75.28 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.393 1.077 . . . . 0.0 113.836 172.534 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -67.45 -34.24 76.77 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 114.145 1.165 . . . . 0.0 114.145 172.502 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -62.72 -46.11 89.61 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 119.818 1.19 . . . . 0.0 112.318 167.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 94.1 t -58.48 -42.28 83.97 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.842 0 CA-C-N 119.713 1.142 . . . . 0.0 112.55 172.648 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 43.7 ttt180 -59.29 -40.13 85.18 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 113.612 0.968 . . . . 0.0 113.612 171.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.27 -42.57 62.32 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 172.309 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 . . . . . 0 CA--C 1.543 0.701 0 N-CA-C 114.623 1.342 . . . . 0.0 114.623 178.731 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.6 mp . . . . . 0 N--CA 1.483 1.18 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -61.37 -32.03 71.94 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 116.83 -1.557 . . . . 0.0 113.6 -178.881 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -70.99 -57.57 4.42 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 122.767 2.53 . . . . 0.0 113.021 171.124 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -66.11 -47.31 74.56 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 120.364 1.438 . . . . 0.0 112.815 -177.443 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.72 -0.24 15.02 Favored 'General case' 0 CA--C 1.555 1.158 0 N-CA-C 117.152 2.278 . . . . 0.0 117.152 165.372 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -79.04 -47.33 16.4 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 125.101 3.591 . . . . 0.0 112.851 151.449 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 43.2 mtmt -73.5 62.9 0.77 Allowed 'General case' 0 CA--C 1.55 0.971 0 CA-C-O 122.781 1.277 . . . . 0.0 112.554 -177.166 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -58.13 -12.01 3.1 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 115.287 1.588 . . . . 0.0 115.287 173.938 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -61.69 -36.85 82.09 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.679 1.192 . . . . 0.0 112.729 162.23 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -89.72 69.96 7.72 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-O 124.869 2.271 . . . . 0.0 109.979 174.006 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.7 -46.37 77.66 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 109.53 -3.486 . . . . 0.0 114.845 -167.855 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -70.45 -29.0 65.46 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.173 0.989 . . . . 0.0 113.597 177.046 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 84.5 mt -81.89 -40.27 22.62 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 119.622 1.101 . . . . 0.0 112.79 -178.285 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.1 pptp? -68.45 -32.01 71.73 Favored 'General case' 0 CA--C 1.547 0.837 0 O-C-N 121.486 -0.759 . . . . 0.0 112.657 163.933 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.29 -27.2 66.98 Favored 'General case' 0 CA--C 1.547 0.862 0 CA-C-N 121.962 2.165 . . . . 0.0 112.305 169.19 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 9.0 t -67.01 -38.71 86.45 Favored 'General case' 0 CA--C 1.551 0.997 0 CA-C-N 119.8 1.182 . . . . 0.0 113.73 164.798 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -47.81 -51.98 20.57 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-N 119.502 1.046 . . . . 0.0 110.833 159.076 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.331 5.1 m-30 -72.9 -26.74 61.53 Favored 'General case' 0 CA--C 1.55 0.955 0 N-CA-C 113.588 0.958 . . . . 0.0 113.588 -176.451 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -56.42 -37.63 70.48 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 119.93 1.241 . . . . 0.0 114.225 158.489 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.35 -44.57 90.26 Favored Glycine 0 CA--C 1.535 1.307 0 CA-C-N 118.979 0.808 . . . . 0.0 114.487 166.396 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.26 -47.41 73.8 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 115.846 1.795 . . . . 0.0 115.846 -177.665 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . 0.357 2.0 p90 -77.29 59.84 1.87 Allowed 'General case' 0 CA--C 1.553 1.079 0 CA-C-N 124.005 3.093 . . . . 0.0 114.484 176.974 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.91 123.05 38.16 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 113.852 -1.522 . . . . 0.0 110.651 178.034 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 29.9 m-80 -112.66 -124.87 0.28 Allowed 'General case' 0 CA--C 1.551 0.999 0 O-C-N 121.137 -0.977 . . . . 0.0 110.952 -173.327 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -67.89 -14.62 63.11 Favored 'General case' 0 CA--C 1.548 0.903 0 O-C-N 119.965 -1.709 . . . . 0.0 115.238 171.829 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -68.22 123.22 20.1 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 124.662 1.185 . . . . 0.0 112.276 -179.317 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -60.27 -81.01 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.847 0 N-CA-C 117.225 2.306 . . . . 0.0 117.225 -154.685 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.0 t -126.61 141.09 51.97 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 121.275 1.852 . . . . 0.0 113.864 -170.937 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 76.5 m -69.77 -50.94 38.31 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 115.796 1.776 . . . . 0.0 115.796 -163.808 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.72 -16.61 63.18 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 115.137 1.532 . . . . 0.0 115.137 -178.413 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -73.78 -53.8 9.47 Favored 'General case' 0 CA--C 1.55 0.953 0 CA-C-N 119.797 1.18 . . . . 0.0 111.352 167.932 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.615 ' O ' HD12 ' A' ' 41' ' ' ILE . 20.4 mtt85 -59.58 -40.65 88.06 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.134 0.974 . . . . 0.0 112.384 172.881 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -91.87 7.43 42.01 Favored 'General case' 0 CA--C 1.55 0.973 0 N-CA-C 116.402 2.001 . . . . 0.0 116.402 171.955 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.75 -32.83 68.12 Favored 'General case' 0 CA--C 1.543 0.673 0 O-C-N 118.923 -2.36 . . . . 0.0 112.013 145.507 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.444 ' HB3' ' O ' ' A' ' 37' ' ' ARG . 54.1 ttp180 -71.14 -49.47 43.69 Favored 'General case' 0 CA--C 1.556 1.179 0 N-CA-C 113.655 0.983 . . . . 0.0 113.655 166.267 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.615 HD12 ' O ' ' A' ' 37' ' ' ARG 0.259 3.3 mp -65.52 87.66 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.549 0.932 0 CA-C-O 127.183 3.373 . . . . 0.0 112.774 165.807 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.0 tppt? -86.41 -11.06 52.99 Favored 'General case' 0 CA--C 1.546 0.801 1 CA-C-N 106.961 -4.654 . . . . 0.0 115.784 -169.464 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 45.7 mm -59.33 -39.1 78.11 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.874 0 N-CA-C 115.605 1.706 . . . . 0.0 115.605 -156.357 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -172.55 161.73 33.32 Favored Glycine 0 CA--C 1.546 1.983 0 CA-C-N 120.78 1.627 . . . . 0.0 116.254 175.68 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_exo -53.22 -50.61 13.39 Favored 'Trans proline' 0 C--N 1.361 1.234 0 C-N-CA 125.18 3.92 . . . . 0.0 115.749 175.496 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 44.8 mttm -64.59 -26.24 68.32 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 113.931 1.085 . . . . 0.0 113.931 172.755 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 49.8 t -68.14 -60.56 2.38 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-O 116.988 -1.482 . . . . 0.0 109.794 171.759 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -49.02 -40.14 12.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 CA-C-N 121.323 1.874 . . . . 0.0 115.178 171.697 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.8 tptp -67.99 -48.27 66.23 Favored 'General case' 0 CA--C 1.552 1.036 0 N-CA-C 114.73 1.381 . . . . 0.0 114.73 174.948 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.14 -48.22 68.09 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 120.222 1.374 . . . . 0.0 110.238 167.451 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.541 ' CE2' HD13 ' A' ' 41' ' ' ILE . 2.9 t80 -55.57 -57.98 9.66 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.196 1.398 . . . . 0.0 112.49 175.924 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 53.3 tptt -64.75 -37.08 86.38 Favored 'General case' 0 CA--C 1.548 0.903 0 CA-C-N 119.81 1.186 . . . . 0.0 113.911 -177.18 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -74.82 -39.18 61.81 Favored 'General case' 0 CA--C 1.554 1.097 0 O-C-N 120.015 -1.678 . . . . 0.0 113.87 175.783 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.7 m -62.46 -34.35 76.65 Favored 'General case' 0 CA--C 1.551 0.982 0 N-CA-C 114.106 1.151 . . . . 0.0 114.106 165.066 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 15.1 t -54.75 -46.08 74.27 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 120.196 1.362 . . . . 0.0 113.551 165.523 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -54.32 -48.13 71.72 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-O 118.044 -0.979 . . . . 0.0 112.939 169.122 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 34.7 mm -56.55 -49.19 78.69 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.176 0 CA-C-N 119.534 1.061 . . . . 0.0 113.3 170.155 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.84 -45.01 86.86 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 114.216 1.191 . . . . 0.0 114.216 176.076 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 39.8 m-80 -68.52 -25.16 64.8 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 114.542 1.312 . . . . 0.0 114.542 174.113 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -67.29 -46.15 74.46 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 120.012 1.278 . . . . 0.0 112.004 162.823 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 94.3 t -65.49 -55.67 18.87 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.772 0 CA-C-O 117.236 -1.364 . . . . 0.0 113.674 176.219 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 29.2 ptt180 -68.18 -14.66 63.15 Favored 'General case' 0 CA--C 1.549 0.938 0 CA-C-N 122.177 2.262 . . . . 0.0 115.419 -176.674 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -79.73 -33.71 40.64 Favored 'General case' 0 CA--C 1.545 0.775 0 O-C-N 120.784 -1.197 . . . . 0.0 113.226 165.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 . . . . . 0 CA--C 1.547 0.836 0 C-N-CA 124.202 1.001 . . . . 0.0 112.479 176.726 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.5 mt . . . . . 0 N--CA 1.48 1.048 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.531 ' O ' ' HB2' ' A' ' 11' ' ' ALA . 38.6 mt-10 -71.87 -7.03 46.01 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 115.213 1.56 . . . . 0.0 115.213 179.577 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 81.0 mt-10 -76.23 -39.1 55.41 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 124.714 3.415 . . . . 0.0 113.51 161.502 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -83.01 -51.58 7.43 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 119.779 1.172 . . . . 0.0 112.621 173.821 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.85 12.68 0.36 Allowed 'General case' 0 CA--C 1.558 1.255 0 N-CA-C 116.984 2.216 . . . . 0.0 116.984 163.547 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.531 ' HB2' ' O ' ' A' ' 7' ' ' GLU . . . -67.08 -43.01 83.66 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 117.952 -2.968 . . . . 0.0 114.015 150.215 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 53.6 mttp -61.2 -53.43 57.06 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 114.46 -1.245 . . . . 0.0 114.068 -159.097 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . 0.257 3.2 m-85 61.55 -32.59 0.08 Allowed 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 117.781 2.511 . . . . 0.0 117.781 165.373 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.7 pttt -65.47 -37.93 88.28 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 119.591 1.087 . . . . 0.0 110.581 157.385 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -88.89 65.75 7.7 Favored 'General case' 0 CA--C 1.549 0.924 0 CA-C-O 125.522 2.582 . . . . 0.0 110.409 170.267 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.426 ' O ' ' HB2' ' A' ' 20' ' ' LYS . . . -59.93 -39.26 84.87 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 108.702 -3.863 . . . . 0.0 113.999 -175.85 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 29.8 ttm -67.23 -33.63 75.77 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.085 0.954 . . . . 0.0 112.441 176.049 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 45.0 mt -78.73 -49.07 13.71 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 123.429 0.692 . . . . 0.0 111.681 -178.583 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.06 -32.24 67.84 Favored 'General case' 0 CA--C 1.552 1.041 0 CA-C-N 119.496 1.044 . . . . 0.0 113.722 163.378 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.426 ' HB2' ' O ' ' A' ' 16' ' ' ALA . 0.3 OUTLIER -68.82 -27.15 65.59 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 122.244 2.293 . . . . 0.0 112.775 170.992 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 20.9 m -63.85 -36.25 83.3 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 121.367 1.894 . . . . 0.0 114.026 160.417 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . 0.272 0.1 OUTLIER -50.28 -47.29 55.43 Favored 'General case' 0 N--CA 1.483 1.182 0 CA-C-N 120.149 1.341 . . . . 0.0 111.707 161.892 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.263 3.5 m-30 -74.01 -29.45 61.96 Favored 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 113.828 1.047 . . . . 0.0 113.828 -177.051 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -59.0 -43.44 91.49 Favored 'General case' 0 N--CA 1.476 0.825 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 161.826 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.64 -38.74 90.41 Favored Glycine 0 CA--C 1.532 1.129 0 N-CA-C 115.103 0.801 . . . . 0.0 115.103 173.746 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.36 -36.28 83.17 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 118.259 1.029 . . . . 0.0 113.11 171.802 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -66.87 69.78 0.08 Allowed 'General case' 0 CA--C 1.558 1.276 0 CA-C-O 122.813 1.292 . . . . 0.0 113.335 169.873 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.3 mmm180 -111.83 117.58 33.19 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 119.654 -1.904 . . . . 0.0 112.162 165.033 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -154.91 -40.98 0.09 Allowed 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 114.303 -1.317 . . . . 0.0 114.187 -168.611 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -64.27 -83.9 0.02 OUTLIER 'General case' 0 CA--C 1.552 1.045 0 N-CA-C 116.782 2.141 . . . . 0.0 116.782 -176.235 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -170.16 -39.71 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.075 1.35 . . . . 0.0 113.203 -171.334 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -69.32 152.8 44.55 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 115.751 1.76 . . . . 0.0 115.751 -174.663 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 82.0 p -76.17 142.02 41.69 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.805 174.171 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 17.6 p -64.77 -32.74 74.57 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 113.925 1.083 . . . . 0.0 113.925 -171.496 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -71.21 -29.15 64.8 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-O 117.082 -1.437 . . . . 0.0 114.715 175.544 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -72.2 -42.53 65.68 Favored 'General case' 0 CA--C 1.549 0.939 0 CA-C-N 122.827 2.558 . . . . 0.0 111.026 172.031 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.584 ' O ' HD12 ' A' ' 41' ' ' ILE . 42.8 ttt-85 -63.04 -46.51 87.19 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 114.361 -1.29 . . . . 0.0 110.976 173.933 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -84.19 0.73 47.59 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 116.859 2.17 . . . . 0.0 116.859 171.722 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.63 -27.87 64.39 Favored 'General case' 0 CA--C 1.544 0.739 0 O-C-N 119.372 -2.08 . . . . 0.0 112.649 149.297 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 49.0 mtt180 -76.23 -44.73 36.25 Favored 'General case' 0 CA--C 1.553 1.092 0 N-CA-C 113.801 1.038 . . . . 0.0 113.801 165.541 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.584 HD12 ' O ' ' A' ' 37' ' ' ARG 0.278 3.3 mp -65.37 89.09 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.55 0.953 0 CA-C-O 127.023 3.297 . . . . 0.0 113.505 168.928 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.2 mptt -83.38 -9.02 59.3 Favored 'General case' 0 CA--C 1.543 0.685 1 CA-C-N 107.209 -4.541 . . . . 0.0 116.218 -173.284 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 46.5 mm -58.44 -40.63 79.11 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.847 0 N-CA-C 115.341 1.608 . . . . 0.0 115.341 -158.08 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -176.95 159.86 26.62 Favored Glycine 0 CA--C 1.543 1.825 0 CA-C-O 117.897 -1.502 . . . . 0.0 115.328 174.216 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_exo -50.97 -46.32 31.4 Favored 'Trans proline' 0 C--N 1.361 1.198 0 C-N-CA 125.202 3.935 . . . . 0.0 115.534 175.657 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.23 -24.35 63.07 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 114.533 1.309 . . . . 0.0 114.533 173.263 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.78 -53.1 19.86 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-O 118.179 -0.915 . . . . 0.0 109.979 172.091 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -52.59 -40.76 34.87 Favored 'Isoleucine or valine' 0 C--N 1.351 0.638 0 N-CA-C 114.522 1.304 . . . . 0.0 114.522 167.952 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.53 -46.25 83.69 Favored 'General case' 0 CA--C 1.554 1.122 0 N-CA-C 115.087 1.514 . . . . 0.0 115.087 175.193 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.15 -47.76 80.37 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 120.296 1.407 . . . . 0.0 111.459 167.871 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.549 ' CE2' HD13 ' A' ' 41' ' ' ILE . 2.1 t80 -54.06 -54.39 40.0 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.935 1.294 . . . . 0.0 111.979 175.555 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.0 mmtt -63.43 -40.5 97.34 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 114.776 1.398 . . . . 0.0 114.776 179.143 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.431 ' O ' HD12 ' A' ' 57' ' ' ILE . 65.6 m-20 -56.42 -59.25 5.24 Favored 'General case' 0 C--N 1.352 0.69 0 CA-C-N 119.825 1.193 . . . . 0.0 112.405 170.855 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 19.4 m -60.75 -29.61 69.51 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 114.915 1.45 . . . . 0.0 114.915 175.566 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 43.6 t -57.51 -51.01 71.22 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 121.445 1.93 . . . . 0.0 113.245 165.637 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -63.44 -34.23 77.29 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-O 118.184 -0.912 . . . . 0.0 113.433 175.813 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.431 HD12 ' O ' ' A' ' 53' ' ' ASP . 1.8 mp -60.87 -52.49 61.01 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 CA-C-N 119.973 1.26 . . . . 0.0 113.364 163.684 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -52.49 -45.16 66.05 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 119.767 1.167 . . . . 0.0 114.092 177.196 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 24.3 m-80 -65.14 -42.83 93.44 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 113.644 0.979 . . . . 0.0 113.644 172.239 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -64.68 -43.09 94.66 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 173.978 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 78.3 t -62.12 -40.39 87.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 CA-C-N 119.748 1.158 . . . . 0.0 112.371 172.0 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 6.1 tpm_? -61.57 -35.64 78.36 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-N 119.604 1.093 . . . . 0.0 113.493 170.798 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.98 -37.0 67.19 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 114.048 1.129 . . . . 0.0 114.048 169.407 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 . . . . . 0 CA--C 1.546 0.806 0 CA-C-N 119.76 1.164 . . . . 0.0 113.678 171.486 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 5.3 mp . . . . . 0 N--CA 1.485 1.298 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -57.37 -37.02 71.99 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-O 117.371 -1.3 . . . . 0.0 112.618 174.281 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -70.77 -45.67 64.31 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 122.555 2.434 . . . . 0.0 114.761 172.578 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -73.33 -52.25 14.56 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 121.933 2.151 . . . . 0.0 113.022 177.483 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.24 5.09 2.36 Favored 'General case' 0 CA--C 1.556 1.185 0 N-CA-C 116.928 2.196 . . . . 0.0 116.928 165.381 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.63 -43.77 46.17 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 117.651 -3.156 . . . . 0.0 112.676 150.06 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 38.9 mtmm -76.65 60.81 1.72 Allowed 'General case' 0 CA--C 1.548 0.881 0 CA-C-O 122.852 1.311 . . . . 0.0 112.511 -173.653 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -61.08 -11.44 8.61 Favored 'General case' 0 CA--C 1.548 0.882 0 N-CA-C 115.403 1.631 . . . . 0.0 115.403 176.311 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.9 ttpt -64.73 -37.76 88.71 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 123.999 0.92 . . . . 0.0 111.49 162.717 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -88.48 68.01 8.69 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-O 124.72 2.2 . . . . 0.0 110.184 173.989 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.433 ' O ' ' HB2' ' A' ' 20' ' ' LYS . . . -56.58 -44.71 81.29 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 109.876 -3.329 . . . . 0.0 114.563 -170.463 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 60.9 mtp -67.75 -28.7 67.86 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 113.332 0.864 . . . . 0.0 113.332 176.669 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 70.5 mt -86.9 -42.85 12.87 Favored 'General case' 0 C--O 1.236 0.392 0 O-C-N 121.528 -0.732 . . . . 0.0 112.272 -174.884 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.0 -32.13 73.57 Favored 'General case' 0 CA--C 1.55 0.963 0 O-C-N 121.178 -0.951 . . . . 0.0 113.05 161.277 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.433 ' HB2' ' O ' ' A' ' 16' ' ' ALA . 0.7 OUTLIER -70.67 -24.18 62.64 Favored 'General case' 0 CA--C 1.549 0.909 0 CA-C-N 122.497 2.408 . . . . 0.0 112.328 171.202 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.7 t -65.95 -39.12 90.18 Favored 'General case' 0 CA--C 1.549 0.938 0 CA-C-N 119.482 1.037 . . . . 0.0 113.202 164.253 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -47.63 -53.17 15.54 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.101 0.56 . . . . 0.0 110.974 158.891 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.423 ' O ' ' HD2' ' A' ' 27' ' ' TYR 0.281 4.3 m-30 -72.75 -22.58 60.83 Favored 'General case' 0 CA--C 1.552 1.04 0 N-CA-C 114.266 1.209 . . . . 0.0 114.266 -175.975 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -58.35 -46.47 86.21 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 120.076 1.307 . . . . 0.0 112.975 158.085 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.46 -41.9 99.65 Favored Glycine 0 CA--C 1.533 1.199 0 N-CA-C 115.104 0.802 . . . . 0.0 115.104 172.475 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.44 -43.44 97.4 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 113.499 0.926 . . . . 0.0 113.499 174.044 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.423 ' HD2' ' O ' ' A' ' 23' ' ' TYR . 58.9 m-85 -72.57 72.24 1.0 Allowed 'General case' 0 CA--C 1.549 0.931 0 CA-C-O 123.267 1.508 . . . . 0.0 113.547 172.539 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 60.0 ttt-85 -95.31 122.88 38.48 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 114.709 -1.132 . . . . 0.0 110.167 166.953 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -86.4 -92.08 0.1 Allowed 'General case' 0 CA--C 1.545 0.772 0 CA-C-O 118.521 -0.752 . . . . 0.0 112.789 -166.251 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -79.91 -77.11 0.19 Allowed 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 120.708 1.594 . . . . 0.0 113.178 -176.361 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -162.87 37.97 0.1 Allowed 'General case' 0 CA--C 1.556 1.183 0 C-N-CA 124.424 1.09 . . . . 0.0 111.901 175.424 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 24.8 pm0 -72.26 159.52 33.93 Favored 'General case' 0 CA--C 1.55 0.959 0 O-C-N 120.527 -1.358 . . . . 0.0 114.334 173.511 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.461 ' O ' ' HG2' ' A' ' 36' ' ' GLU . 63.6 p -85.4 138.94 31.93 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 119.934 -1.729 . . . . 0.0 110.617 173.549 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 72.7 m -63.29 -40.72 98.17 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -179.752 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -76.0 -10.01 59.07 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 115.2 1.556 . . . . 0.0 115.2 -178.406 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.461 ' HG2' ' O ' ' A' ' 33' ' ' THR . 8.8 pt-20 -73.15 -46.98 47.78 Favored 'General case' 0 CA--C 1.551 0.99 0 CA-C-N 123.029 2.65 . . . . 0.0 110.743 163.26 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.569 ' O ' HD12 ' A' ' 41' ' ' ILE . 64.7 mtm180 -62.69 -50.12 72.42 Favored 'General case' 0 C--N 1.344 0.354 0 CA-C-N 114.572 -1.194 . . . . 0.0 110.428 173.809 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -90.41 15.73 10.11 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 115.577 1.695 . . . . 0.0 115.577 175.794 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.41 -54.82 19.95 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 119.523 -1.986 . . . . 0.0 110.383 136.348 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 48.7 tpt85 -64.89 -45.99 83.64 Favored 'General case' 0 CA--C 1.558 1.253 0 N-CA-C 115.167 1.543 . . . . 0.0 115.167 176.637 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.569 HD12 ' O ' ' A' ' 37' ' ' ARG . 3.2 mp -67.28 90.79 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.664 0 CA-C-O 126.575 3.083 . . . . 0.0 111.742 166.63 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.27 42.31 3.1 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-N 109.007 -3.724 . . . . 0.0 112.859 177.975 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 67.5 mt -73.68 -37.85 50.21 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.866 0 O-C-N 121.042 -1.036 . . . . 0.0 111.89 179.66 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -168.38 161.02 34.74 Favored Glycine 0 CA--C 1.547 2.057 0 CA-C-O 118.319 -1.267 . . . . 0.0 115.406 175.216 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_exo -53.51 -48.34 22.47 Favored 'Trans proline' 0 C--N 1.361 1.201 0 C-N-CA 124.954 3.769 . . . . 0.0 115.277 173.279 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.29 -32.57 72.41 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.951 0.901 . . . . 0.0 113.324 172.936 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 15.2 t -65.66 -60.26 3.09 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 117.457 -1.259 . . . . 0.0 109.932 175.262 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -51.26 -39.68 21.46 Favored 'Isoleucine or valine' 0 C--N 1.353 0.731 0 CA-C-N 120.466 1.485 . . . . 0.0 114.598 173.464 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.5 tptp -66.9 -50.2 63.19 Favored 'General case' 0 CA--C 1.553 1.07 0 CA-C-O 117.215 -1.374 . . . . 0.0 114.556 174.963 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.31 -47.86 65.71 Favored 'General case' 0 N--CA 1.482 1.137 0 CA-C-N 120.789 1.631 . . . . 0.0 111.058 168.503 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.504 ' CE2' HD13 ' A' ' 41' ' ' ILE . 2.7 t80 -54.28 -54.83 34.9 Favored 'General case' 0 C--N 1.35 0.62 0 C-N-CA 125.304 1.441 . . . . 0.0 112.152 176.525 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 52.9 tptt -65.46 -34.86 79.28 Favored 'General case' 0 CA--C 1.552 1.036 0 N-CA-C 113.664 0.987 . . . . 0.0 113.664 179.72 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -64.75 -50.37 67.11 Favored 'General case' 0 CA--C 1.551 0.999 0 O-C-N 120.452 -1.405 . . . . 0.0 113.188 173.203 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 9.8 m -63.29 -27.55 69.41 Favored 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 114.562 1.319 . . . . 0.0 114.562 170.106 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 47.4 t -59.79 -42.28 93.03 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 120.323 1.42 . . . . 0.0 113.014 163.892 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -59.05 -37.28 76.62 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-O 117.938 -1.03 . . . . 0.0 113.486 167.527 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 25.4 mm -59.13 -51.96 66.37 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.312 0 CA-C-N 121.268 1.849 . . . . 0.0 113.806 164.492 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.02 -40.15 66.77 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 176.414 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -67.78 -42.04 82.28 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 114.443 1.275 . . . . 0.0 114.443 169.905 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -60.29 -46.21 90.65 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 120.404 1.456 . . . . 0.0 112.857 170.298 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 91.3 t -61.86 -38.27 80.17 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.856 0 CA-C-N 119.421 1.01 . . . . 0.0 112.804 173.487 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 4.4 tpp180 -61.75 -39.89 93.2 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 113.236 0.828 . . . . 0.0 113.236 172.279 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.75 -49.46 20.89 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 113.851 1.056 . . . . 0.0 113.851 172.48 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 . . . . . 0 CA--C 1.551 1.019 0 CA-C-O 122.985 1.374 . . . . 0.0 113.921 -177.233 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.0 mp . . . . . 0 N--CA 1.482 1.136 0 CA-C-O 118.163 -0.922 . . . . 0.0 109.666 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -56.13 -57.66 11.22 Favored 'General case' 0 C--N 1.35 0.602 0 CA-C-O 115.706 -2.093 . . . . 0.0 112.297 176.101 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.423 ' O ' ' HG3' ' A' ' 12' ' ' LYS 0.356 1.4 pp20? -69.73 -14.93 63.04 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 124.676 3.398 . . . . 0.0 115.077 -179.548 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.08 -61.95 1.63 Allowed 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 125.355 3.707 . . . . 0.0 113.419 163.039 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.3 -2.08 4.05 Favored 'General case' 0 CA--C 1.555 1.163 0 N-CA-C 117.384 2.364 . . . . 0.0 117.384 175.218 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -84.12 -28.51 27.42 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 124.053 3.115 . . . . 0.0 114.781 156.612 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.423 ' HG3' ' O ' ' A' ' 8' ' ' GLU . 42.4 mttp -68.69 -51.11 45.3 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 120.168 1.349 . . . . 0.0 112.886 -176.601 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 63.13 -31.77 0.1 Allowed 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 126.536 1.934 . . . . 0.0 116.174 -177.755 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.8 mttp -61.33 -37.53 83.63 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 126.64 1.976 . . . . 0.0 112.367 168.59 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 6.7 m-30 -76.49 65.34 2.33 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-O 123.877 1.799 . . . . 0.0 111.176 165.343 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.53 -47.09 82.94 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 111.623 -2.535 . . . . 0.0 116.074 -166.479 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 47.8 mtm -69.89 -33.35 72.1 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.407 1.083 . . . . 0.0 113.394 177.747 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 24.5 mt -77.68 -45.48 24.78 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-O 121.418 0.627 . . . . 0.0 111.439 -177.006 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.49 -38.09 76.89 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 163.597 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.2 ttpp -62.39 -39.76 94.27 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 121.016 1.735 . . . . 0.0 111.151 169.823 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 12.7 m -54.25 -41.64 69.0 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 122.693 2.497 . . . . 0.0 114.116 167.408 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -48.62 -53.96 16.48 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 118.892 0.769 . . . . 0.0 111.69 164.792 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.259 7.4 m-30 -74.11 -25.38 59.75 Favored 'General case' 0 CA--C 1.55 0.974 0 N-CA-C 114.412 1.264 . . . . 0.0 114.412 -175.117 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -61.93 -36.72 82.23 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.251 1.02 . . . . 0.0 113.319 161.858 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.4 -44.38 65.24 Favored Glycine 0 CA--C 1.534 1.244 0 CA-C-O 119.305 -0.72 . . . . 0.0 114.714 168.435 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.33 -33.39 75.43 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 114.394 1.257 . . . . 0.0 114.394 176.375 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -82.04 61.79 5.49 Favored 'General case' 0 CA--C 1.551 0.988 0 O-C-N 120.595 -1.315 . . . . 0.0 113.455 167.83 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 58.6 ttt180 -94.01 145.51 24.61 Favored 'General case' 0 CA--C 1.549 0.922 0 O-C-N 121.37 -0.831 . . . . 0.0 111.923 170.095 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -98.2 151.39 20.48 Favored 'General case' 0 CA--C 1.545 0.781 0 O-C-N 121.368 -0.833 . . . . 0.0 110.828 177.565 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -68.91 44.14 0.04 OUTLIER 'General case' 0 CA--C 1.556 1.201 0 N-CA-C 115.869 1.804 . . . . 0.0 115.869 -176.988 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -154.54 -68.42 0.13 Allowed 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.102 1.361 . . . . 0.0 112.592 -174.148 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -66.79 151.72 46.93 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 116.055 1.872 . . . . 0.0 116.055 174.524 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 71.4 p -94.42 137.95 32.95 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 114.28 -1.327 . . . . 0.0 110.038 170.543 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.1 p -60.12 -27.36 66.98 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 114.439 1.274 . . . . 0.0 114.439 -176.777 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 56.6 mp0 -65.4 -25.1 67.4 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.544 1.137 . . . . 0.0 113.886 176.954 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -66.76 -55.84 13.19 Favored 'General case' 0 CA--C 1.547 0.849 0 CA-C-N 121.094 1.77 . . . . 0.0 111.011 173.192 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.61 ' O ' HD12 ' A' ' 41' ' ' ILE . 45.6 mtm180 -58.14 -49.19 77.83 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 113.05 -1.887 . . . . 0.0 111.658 172.976 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -84.28 2.33 40.61 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 116.429 2.011 . . . . 0.0 116.429 178.011 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.97 -33.21 71.78 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 119.677 -1.89 . . . . 0.0 112.305 147.603 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 81.3 mtp180 -78.91 -43.27 25.15 Favored 'General case' 0 CA--C 1.555 1.168 0 N-CA-C 115.54 1.681 . . . . 0.0 115.54 167.085 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.61 HD12 ' O ' ' A' ' 37' ' ' ARG 0.296 3.3 mp -63.99 90.22 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.549 0.94 0 CA-C-O 126.836 3.208 . . . . 0.0 114.298 171.136 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -98.71 13.29 32.75 Favored 'General case' 0 CA--C 1.546 0.825 1 CA-C-N 107.327 -4.488 . . . . 0.0 115.758 -177.002 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 47.8 mm -64.82 -37.28 79.76 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.918 0 O-C-N 120.899 -1.125 . . . . 0.0 113.815 -170.312 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -176.08 160.03 27.72 Favored Glycine 0 CA--C 1.544 1.887 0 CA-C-O 117.912 -1.494 . . . . 0.0 114.845 173.056 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_exo -52.59 -49.49 17.31 Favored 'Trans proline' 0 C--N 1.36 1.181 0 C-N-CA 124.889 3.726 . . . . 0.0 115.528 175.662 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 23.8 tttm -73.43 -18.67 61.11 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 123.32 0.648 . . . . 0.0 112.588 178.088 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.66 -55.95 8.6 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.141 0.976 . . . . 0.0 109.915 168.936 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -52.32 -39.56 28.49 Favored 'Isoleucine or valine' 0 C--N 1.353 0.733 0 N-CA-C 114.726 1.38 . . . . 0.0 114.726 170.487 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -63.43 -51.08 67.23 Favored 'General case' 0 CA--C 1.551 1.0 0 N-CA-C 114.497 1.295 . . . . 0.0 114.497 171.816 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.17 -47.75 62.09 Favored 'General case' 0 N--CA 1.483 1.182 0 CA-C-N 121.578 1.99 . . . . 0.0 110.684 169.307 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.574 ' CE2' HD13 ' A' ' 41' ' ' ILE . 2.2 t80 -54.85 -57.58 11.02 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.281 1.432 . . . . 0.0 112.732 175.687 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 47.8 tptt -65.58 -36.78 84.76 Favored 'General case' 0 CA--C 1.55 0.959 0 N-CA-C 114.064 1.135 . . . . 0.0 114.064 -178.045 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -71.45 -42.49 68.11 Favored 'General case' 0 CA--C 1.549 0.904 0 O-C-N 120.046 -1.659 . . . . 0.0 113.711 175.507 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 2.2 m -61.34 -32.64 72.53 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 113.968 1.099 . . . . 0.0 113.968 165.549 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 47.7 t -59.89 -41.54 91.83 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 120.463 1.483 . . . . 0.0 113.674 166.586 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -54.06 -48.72 70.31 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 119.685 1.13 . . . . 0.0 112.614 167.117 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 24.6 mm -58.55 -47.5 88.27 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 N-CA-C 113.3 0.852 . . . . 0.0 113.3 172.752 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.05 -49.78 68.22 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 123.822 0.849 . . . . 0.0 113.24 173.649 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.03 -36.18 83.53 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 113.083 0.772 . . . . 0.0 113.083 176.25 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -66.53 -40.91 89.37 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 119.827 1.194 . . . . 0.0 113.491 171.097 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 92.5 t -64.58 -53.25 44.75 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.726 0 CA-C-N 119.212 0.914 . . . . 0.0 112.194 171.82 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? -65.61 -16.99 64.26 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 114.998 1.481 . . . . 0.0 114.998 -177.764 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.83 -28.9 67.15 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 113.937 1.088 . . . . 0.0 113.937 166.451 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 . . . . . 0 CA--C 1.545 0.773 0 N-CA-C 114.182 1.179 . . . . 0.0 114.182 178.341 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 5.3 mp . . . . . 0 N--CA 1.484 1.242 0 CA-C-O 119.739 -0.172 . . . . 0.0 110.538 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -57.27 -48.65 78.34 Favored 'General case' 0 C--N 1.344 0.348 0 CA-C-O 114.989 -2.434 . . . . 0.0 112.742 178.772 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -83.51 -24.99 31.45 Favored 'General case' 0 CA--C 1.549 0.924 0 CA-C-N 125.976 3.989 . . . . 0.0 115.451 175.679 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -73.99 -32.73 63.54 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 122.508 2.413 . . . . 0.0 112.685 175.447 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.71 -87.74 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.863 0 CA-C-O 116.966 -1.492 . . . . 0.0 114.809 147.59 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.51 -20.65 8.16 Favored 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 119.296 3.073 . . . . 0.0 119.296 -149.874 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.3 ttmt -69.82 -28.02 65.36 Favored 'General case' 0 CA--C 1.55 0.959 0 CA-C-N 119.076 0.853 . . . . 0.0 111.754 173.627 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 22.2 m-30 54.96 1.26 0.04 OUTLIER 'General case' 0 CA--C 1.551 0.983 0 N-CA-C 118.89 2.922 . . . . 0.0 118.89 171.305 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 31.3 mmtm -65.02 -48.45 73.86 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 120.76 1.618 . . . . 0.0 111.569 176.026 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -81.6 62.44 5.45 Favored 'General case' 0 CA--C 1.553 1.068 0 CA-C-O 123.246 1.498 . . . . 0.0 112.203 167.516 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.4 -40.89 83.62 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 115.748 1.758 . . . . 0.0 115.748 -174.176 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -68.62 -26.13 65.2 Favored 'General case' 0 CA--C 1.546 0.827 0 N-CA-C 113.391 0.886 . . . . 0.0 113.391 175.117 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 59.5 mt -86.65 -38.45 17.03 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 121.434 -0.792 . . . . 0.0 111.628 179.763 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.6 tmtt? -52.86 -44.2 66.65 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 114.42 1.267 . . . . 0.0 114.42 154.935 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -66.74 -25.2 66.39 Favored 'General case' 0 CA--C 1.557 1.226 0 O-C-N 119.695 -1.878 . . . . 0.0 112.139 173.418 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 7.2 t -68.43 -38.55 81.29 Favored 'General case' 0 CA--C 1.553 1.094 0 O-C-N 120.49 -1.382 . . . . 0.0 113.979 165.183 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.2 t -47.0 -51.13 17.92 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 119.122 0.873 . . . . 0.0 110.519 159.279 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.314 6.7 m-30 -74.42 -21.37 59.66 Favored 'General case' 0 CA--C 1.551 0.998 0 N-CA-C 114.611 1.337 . . . . 0.0 114.611 -176.351 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -58.3 -45.32 88.21 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 119.901 1.228 . . . . 0.0 113.237 155.734 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.59 -45.99 95.27 Favored Glycine 0 CA--C 1.533 1.206 0 N-CA-C 114.747 0.659 . . . . 0.0 114.747 171.478 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.06 -39.92 91.68 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 175.06 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 36.4 m-85 -69.89 75.2 0.46 Allowed 'General case' 0 CA--C 1.549 0.914 0 CA-C-O 122.991 1.377 . . . . 0.0 113.472 168.828 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 67.6 ttt-85 -99.96 116.97 33.24 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-O 121.998 0.904 . . . . 0.0 109.72 165.973 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -105.27 -76.57 0.6 Allowed 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.287 -157.634 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -72.45 -82.52 0.05 OUTLIER 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 124.25 1.02 . . . . 0.0 112.432 176.954 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -165.63 63.44 0.11 Allowed 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 125.704 1.602 . . . . 0.0 108.656 162.122 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -67.88 138.39 56.0 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 115.028 1.492 . . . . 0.0 115.028 -178.067 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.5 p -77.33 114.43 16.14 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-O 122.021 0.915 . . . . 0.0 111.257 170.282 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 93.7 m -56.77 -49.51 75.06 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 114.437 1.273 . . . . 0.0 114.437 -166.744 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.07 -30.47 67.72 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 114.299 1.222 . . . . 0.0 114.299 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -71.68 -46.63 58.26 Favored 'General case' 0 C--O 1.243 0.754 0 CA-C-N 121.456 1.935 . . . . 0.0 111.965 172.748 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.576 ' O ' HD12 ' A' ' 41' ' ' ILE . 27.3 ttp180 -57.81 -51.73 68.4 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 114.825 -1.079 . . . . 0.0 110.822 172.105 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -82.75 -0.98 50.17 Favored 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 116.985 2.217 . . . . 0.0 116.985 176.26 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.61 -38.04 86.13 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 119.402 -2.061 . . . . 0.0 112.166 150.942 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 56.3 mtt85 -71.66 -37.56 70.79 Favored 'General case' 0 CA--C 1.551 1.018 0 N-CA-C 114.39 1.256 . . . . 0.0 114.39 169.932 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.585 HD13 ' CE2' ' A' ' 51' ' ' PHE 0.308 3.4 mp -72.55 84.37 0.4 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.951 0 CA-C-O 127.119 3.342 . . . . 0.0 113.4 167.626 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 29.7 mmtm -91.34 7.38 41.25 Favored 'General case' 0 CA--C 1.544 0.748 1 CA-C-N 107.152 -4.567 . . . . 0.0 116.288 -175.466 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 46.8 mm -66.05 -35.65 75.56 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.893 0 N-CA-C 113.992 1.108 . . . . 0.0 113.992 -168.146 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -173.81 156.53 24.02 Favored Glycine 0 CA--C 1.546 1.993 0 CA-C-O 117.738 -1.59 . . . . 0.0 115.16 173.476 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_exo -52.36 -46.92 29.73 Favored 'Trans proline' 0 C--N 1.361 1.2 0 C-N-CA 124.933 3.755 . . . . 0.0 115.671 174.929 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 49.9 tttm -71.42 -25.57 62.39 Favored 'General case' 0 CA--C 1.551 0.984 0 N-CA-C 112.813 0.672 . . . . 0.0 112.813 177.042 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 17.8 t -64.7 -59.0 4.75 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-O 117.425 -1.274 . . . . 0.0 109.384 169.846 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -49.02 -41.77 13.89 Favored 'Isoleucine or valine' 0 C--N 1.354 0.799 0 CA-C-N 120.21 1.368 . . . . 0.0 114.477 171.351 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -61.99 -54.42 41.91 Favored 'General case' 0 CA--C 1.558 1.277 0 N-CA-C 115.442 1.645 . . . . 0.0 115.442 174.979 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.08 -47.62 68.38 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 124.719 1.207 . . . . 0.0 110.555 169.096 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.585 ' CE2' HD13 ' A' ' 41' ' ' ILE . 2.8 t80 -54.31 -54.93 33.72 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.264 1.426 . . . . 0.0 112.559 175.396 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 59.3 tttm -56.74 -46.9 81.09 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.504 1.522 . . . . 0.0 112.972 -179.462 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -66.46 -47.26 73.66 Favored 'General case' 0 CA--C 1.552 1.044 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 178.667 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.8 m -61.08 -34.49 75.0 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 114.624 1.342 . . . . 0.0 114.624 169.353 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -65.72 -33.54 76.12 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 120.506 1.503 . . . . 0.0 112.748 172.607 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -58.81 -48.84 79.9 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 119.278 0.944 . . . . 0.0 112.4 163.862 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 23.2 mm -60.05 -41.23 85.66 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 N-CA-C 114.097 1.147 . . . . 0.0 114.097 174.478 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.23 -50.26 69.9 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.544 0.738 . . . . 0.0 112.824 171.63 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -61.88 -40.52 95.7 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 171.566 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -60.76 -52.6 64.4 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-O 117.205 -1.379 . . . . 0.0 114.063 172.233 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 34.0 m -66.61 -29.7 47.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 CA-C-N 121.825 2.102 . . . . 0.0 114.129 179.558 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 52.1 mtp85 -69.29 -34.37 74.6 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 114.032 1.123 . . . . 0.0 114.032 168.384 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -81.43 -51.38 8.37 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 119.84 1.2 . . . . 0.0 113.893 172.139 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 . . . . . 0 CA--C 1.55 0.957 0 CA-C-O 123.205 1.478 . . . . 0.0 112.37 -177.081 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.7 mp . . . . . 0 N--CA 1.481 1.125 0 CA-C-O 118.73 -0.652 . . . . 0.0 110.448 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.72 -31.38 66.36 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-O 116.986 -1.483 . . . . 0.0 113.679 -175.486 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -85.12 -43.75 13.59 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-N 123.416 2.826 . . . . 0.0 114.981 167.938 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 47.0 mm-40 -89.24 14.03 11.94 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 123.861 3.028 . . . . 0.0 113.988 178.143 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.427 ' O ' ' HD1' ' A' ' 13' ' ' TYR . . . -86.54 -71.84 0.53 Allowed 'General case' 0 CA--C 1.549 0.914 0 O-C-N 118.846 -2.409 . . . . 0.0 116.538 124.633 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.44 -14.36 40.06 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 119.115 3.006 . . . . 0.0 119.115 -157.963 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 68.3 mttt -64.6 -39.44 93.72 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 121.985 2.175 . . . . 0.0 112.733 168.844 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.427 ' HD1' ' O ' ' A' ' 10' ' ' ALA . 0.2 OUTLIER 44.5 24.04 0.09 Allowed 'General case' 0 CA--C 1.553 1.058 0 N-CA-C 118.579 2.807 . . . . 0.0 118.579 178.999 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 31.8 mmtm -78.01 -56.13 4.74 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.317 1.047 . . . . 0.0 111.15 172.026 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.449 ' O ' ' HD3' ' A' ' 19' ' ' LYS . 47.6 m-85 -85.53 70.86 10.8 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-O 124.418 2.056 . . . . 0.0 110.251 170.05 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.29 -36.1 65.8 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 110.723 -2.944 . . . . 0.0 114.539 -171.763 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 35.9 ttm -64.34 -32.94 74.75 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 124.568 1.147 . . . . 0.0 113.283 174.279 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 69.7 mt -86.82 -36.46 18.5 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 120.897 -1.127 . . . . 0.0 112.263 -177.622 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.449 ' HD3' ' O ' ' A' ' 15' ' ' TYR . 10.2 mptt -59.72 -38.61 82.16 Favored 'General case' 0 CA--C 1.563 1.479 0 N-CA-C 113.361 0.875 . . . . 0.0 113.361 159.608 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.91 -30.69 70.08 Favored 'General case' 0 CA--C 1.555 1.138 0 O-C-N 118.815 -2.428 . . . . 0.0 111.684 167.456 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.435 ' O ' ' HD1' ' A' ' 51' ' ' PHE . 10.2 t -58.33 -39.56 79.76 Favored 'General case' 0 CA--C 1.553 1.092 0 CA-C-N 121.792 2.087 . . . . 0.0 112.561 164.823 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -46.6 -57.03 5.16 Favored 'General case' 0 N--CA 1.485 1.281 0 CA-C-N 120.029 1.286 . . . . 0.0 110.834 159.062 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.311 9.8 m-30 -69.97 -25.21 63.51 Favored 'General case' 0 CA--C 1.555 1.149 0 N-CA-C 115.698 1.74 . . . . 0.0 115.698 -174.577 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -65.57 -28.05 68.87 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 114.983 1.475 . . . . 0.0 114.983 160.799 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -78.09 -32.38 44.32 Favored Glycine 0 CA--C 1.534 1.266 0 CA-C-N 119.043 0.838 . . . . 0.0 114.559 167.267 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.68 -50.03 54.25 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 118.512 1.156 . . . . 0.0 113.884 174.554 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -78.52 59.36 2.4 Favored 'General case' 0 CA--C 1.553 1.069 0 CA-C-N 120.06 1.3 . . . . 0.0 114.022 -179.34 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 21.9 mmt180 -114.32 113.39 24.51 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 114.811 1.412 . . . . 0.0 114.811 -177.181 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -66.88 152.14 46.22 Favored 'General case' 0 CA--C 1.551 1.005 0 N-CA-C 115.854 1.798 . . . . 0.0 115.854 179.156 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -57.01 -23.77 48.73 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 118.194 2.665 . . . . 0.0 118.194 -160.811 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -69.27 -30.94 69.16 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 175.556 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -74.81 114.75 13.61 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 179.034 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.3 p -80.58 99.01 7.89 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-O 123.418 1.58 . . . . 0.0 109.109 168.872 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -64.13 -46.66 83.13 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 112.557 -2.111 . . . . 0.0 113.973 -157.532 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.9 pm0 -69.09 -29.76 67.92 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 113.985 1.106 . . . . 0.0 113.985 -178.961 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.4 mp0 -64.41 -53.27 51.06 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-O 122.696 1.236 . . . . 0.0 111.81 172.687 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.56 ' O ' HG13 ' A' ' 41' ' ' ILE . 52.1 mtt85 -62.02 -48.1 81.81 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 113.759 -1.564 . . . . 0.0 111.511 173.561 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.46 -5.69 46.33 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 122.557 2.435 . . . . 0.0 117.071 175.175 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.29 -41.04 86.1 Favored 'General case' 0 CA--C 1.546 0.818 0 O-C-N 119.597 -1.939 . . . . 0.0 112.236 151.887 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 -77.07 -17.5 58.7 Favored 'General case' 0 CA--C 1.556 1.183 0 N-CA-C 115.85 1.796 . . . . 0.0 115.85 172.011 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.56 HG13 ' O ' ' A' ' 37' ' ' ARG 0.32 62.5 mt -79.17 74.9 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 CA-C-O 126.871 3.224 . . . . 0.0 113.283 -179.858 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -95.96 37.87 1.21 Allowed 'General case' 0 CA--C 1.548 0.878 0 CA-C-N 109.308 -3.587 . . . . 0.0 114.053 -175.016 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 95.4 mt -74.53 -49.86 29.13 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.781 0 O-C-N 121.459 -0.776 . . . . 0.0 112.612 179.301 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -156.66 138.4 5.92 Favored Glycine 0 CA--C 1.544 1.874 0 CA-C-O 115.917 -2.602 . . . . 0.0 113.539 -179.825 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -50.55 -53.26 7.42 Favored 'Trans proline' 0 C--N 1.361 1.233 0 CA-C-N 124.184 3.992 . . . . 0.0 117.03 -178.209 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 39.5 mttm -63.13 -33.67 75.95 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 113.812 1.041 . . . . 0.0 113.812 172.8 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 3.6 t -64.26 -63.3 1.18 Allowed 'General case' 0 C--N 1.348 0.51 0 CA-C-O 115.461 -2.209 . . . . 0.0 108.064 176.122 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -49.23 -44.9 17.55 Favored 'Isoleucine or valine' 0 C--N 1.357 0.92 0 CA-C-N 122.359 2.345 . . . . 0.0 115.164 172.449 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -55.3 -61.78 2.11 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-N 121.284 1.856 . . . . 0.0 113.153 175.42 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.21 -51.05 63.39 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 123.946 0.898 . . . . 0.0 111.193 175.309 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.435 ' HD1' ' O ' ' A' ' 21' ' ' CYS . 62.5 t80 -58.89 -50.6 73.41 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 114.844 1.424 . . . . 0.0 114.844 178.555 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 20.1 pttp -66.26 -35.86 81.5 Favored 'General case' 0 CA--C 1.551 0.984 0 CA-C-N 119.958 1.253 . . . . 0.0 111.476 -178.929 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 48.4 m-20 -71.45 -40.77 70.13 Favored 'General case' 0 CA--C 1.547 0.864 0 O-C-N 121.463 -0.773 . . . . 0.0 111.666 178.679 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 4.6 m -63.71 -31.15 72.23 Favored 'General case' 0 CA--C 1.553 1.089 0 N-CA-C 114.82 1.415 . . . . 0.0 114.82 164.861 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 3.2 m -56.71 -41.27 77.14 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 122.098 2.227 . . . . 0.0 113.767 162.279 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -56.75 -44.97 82.26 Favored 'General case' 0 CA--C 1.549 0.922 0 CA-C-O 117.88 -1.057 . . . . 0.0 112.438 167.01 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 30.6 mm -56.86 -48.34 81.47 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 CA-C-N 120.757 1.617 . . . . 0.0 113.921 167.997 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.3 -48.67 71.04 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 173.442 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -65.85 -35.79 81.65 Favored 'General case' 0 CA--C 1.549 0.923 0 N-CA-C 113.714 1.005 . . . . 0.0 113.714 173.724 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -60.1 -46.38 89.8 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 119.481 1.037 . . . . 0.0 112.244 169.354 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 87.9 t -62.6 -39.25 83.9 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.858 0 CA-C-N 119.14 0.882 . . . . 0.0 112.913 172.878 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -60.23 -40.4 90.07 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 119.842 1.201 . . . . 0.0 113.543 170.834 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.4 -52.24 11.22 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 173.679 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 . . . . . 0 CA--C 1.552 1.02 0 CA-C-O 123.751 1.739 . . . . 0.0 112.56 -176.102 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.3 mp . . . . . 0 N--CA 1.484 1.248 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.49 -51.85 68.13 Favored 'General case' 0 C--O 1.218 -0.572 0 CA-C-O 115.23 -2.319 . . . . 0.0 112.823 173.556 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -60.03 -37.94 81.25 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 125.888 3.949 . . . . 0.0 115.473 178.465 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -77.92 -55.48 5.27 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 122.239 2.291 . . . . 0.0 113.49 172.841 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.83 1.46 6.97 Favored 'General case' 0 CA--C 1.556 1.196 0 N-CA-C 118.212 2.671 . . . . 0.0 118.212 171.394 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.54 -46.19 13.69 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 124.689 3.404 . . . . 0.0 114.67 158.884 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.9 mtmp? -62.46 -43.54 98.57 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 114.937 1.458 . . . . 0.0 114.937 -171.75 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 64.6 -20.88 0.07 Allowed 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 116.874 2.175 . . . . 0.0 116.874 175.739 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -61.37 -39.68 91.54 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 120.891 1.678 . . . . 0.0 111.537 166.594 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -80.18 61.0 3.86 Favored 'General case' 0 CA--C 1.549 0.928 0 CA-C-O 123.225 1.488 . . . . 0.0 111.108 167.665 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.72 -45.17 95.28 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 113.304 -1.771 . . . . 0.0 114.702 -172.617 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 11.3 tpt -66.19 -30.02 70.4 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.015 0.926 . . . . 0.0 112.537 175.394 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 53.6 mt -84.62 -39.72 18.33 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.309 -0.869 . . . . 0.0 111.863 -177.243 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.4 tmtt? -60.08 -39.11 84.97 Favored 'General case' 0 CA--C 1.552 1.029 0 O-C-N 121.106 -0.996 . . . . 0.0 113.609 159.259 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -67.19 -28.15 67.86 Favored 'General case' 0 CA--C 1.552 1.038 0 O-C-N 119.29 -2.131 . . . . 0.0 111.856 170.431 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.7 t -64.04 -38.15 90.02 Favored 'General case' 0 CA--C 1.551 0.989 0 O-C-N 120.257 -1.527 . . . . 0.0 113.692 166.011 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -48.54 -54.69 13.45 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-N 118.982 0.81 . . . . 0.0 110.987 159.601 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.415 ' O ' ' HD2' ' A' ' 27' ' ' TYR 0.281 6.8 m-30 -73.44 -23.43 60.11 Favored 'General case' 0 CA--C 1.552 1.023 0 N-CA-C 114.343 1.238 . . . . 0.0 114.343 -174.601 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -58.35 -48.31 80.97 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.702 1.201 . . . . 0.0 111.422 159.687 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.81 -37.3 94.62 Favored Glycine 0 CA--C 1.534 1.234 0 N-CA-C 115.339 0.896 . . . . 0.0 115.339 171.737 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.59 -41.07 93.95 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 118.468 1.134 . . . . 0.0 112.975 170.228 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.415 ' HD2' ' O ' ' A' ' 23' ' ' TYR . 59.6 m-85 -72.65 72.45 1.03 Allowed 'General case' 0 CA--C 1.552 1.035 0 CA-C-O 123.348 1.547 . . . . 0.0 113.582 168.46 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.8 tpt85 -70.89 109.55 5.11 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 124.207 1.003 . . . . 0.0 111.077 168.791 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 12.4 p30 -136.29 -115.77 0.17 Allowed 'General case' 0 CA--C 1.551 0.999 0 O-C-N 120.212 -1.555 . . . . 0.0 113.884 -169.724 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -76.67 55.46 1.05 Allowed 'General case' 0 CA--C 1.549 0.923 0 CA-C-N 121.665 2.03 . . . . 0.0 113.195 -175.765 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -139.93 149.11 42.93 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.083 0.953 . . . . 0.0 113.343 -176.121 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -73.74 -57.66 3.83 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 122.883 0.473 . . . . 0.0 110.453 173.238 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 12.4 t -143.79 165.05 28.75 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-O 122.023 0.916 . . . . 0.0 113.215 179.973 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 75.1 m -58.41 -54.65 44.63 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.767 1.627 . . . . 0.0 114.292 -169.932 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -75.05 -6.63 50.48 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 114.11 1.152 . . . . 0.0 114.11 -178.058 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -78.59 -54.51 6.06 Favored 'General case' 0 CA--C 1.546 0.815 0 O-C-N 120.85 -1.156 . . . . 0.0 110.572 168.068 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.578 ' O ' HD12 ' A' ' 41' ' ' ILE . 18.5 ttp180 -64.64 -40.44 95.47 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-O 118.84 -0.6 . . . . 0.0 110.796 172.831 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . 0.268 . . -87.51 10.08 18.88 Favored 'General case' 0 CA--C 1.551 0.993 0 N-CA-C 116.568 2.062 . . . . 0.0 116.568 170.87 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.57 -39.09 74.12 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 119.162 -2.211 . . . . 0.0 111.883 142.871 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 63.9 mtt85 -70.16 -44.18 69.33 Favored 'General case' 0 CA--C 1.552 1.056 0 N-CA-C 114.087 1.143 . . . . 0.0 114.087 169.738 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.578 HD12 ' O ' ' A' ' 37' ' ' ARG 0.28 3.3 mp -68.75 86.48 0.16 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.959 0 CA-C-O 126.902 3.239 . . . . 0.0 113.268 167.417 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 29.2 mmtm -92.6 2.41 56.72 Favored 'General case' 0 CA--C 1.545 0.757 1 CA-C-N 107.218 -4.537 . . . . 0.0 116.528 -175.7 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 72.7 mt -64.07 -35.39 73.49 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.963 0 N-CA-C 114.58 1.326 . . . . 0.0 114.58 -163.671 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -177.48 168.67 40.44 Favored Glycine 0 CA--C 1.545 1.938 0 CA-C-N 120.609 1.55 . . . . 0.0 116.491 173.664 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -63.12 -45.97 11.27 Favored 'Trans proline' 0 C--N 1.359 1.1 0 C-N-CA 124.332 3.355 . . . . 0.0 115.414 179.904 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 52.4 mttt -64.2 -27.98 69.43 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 113.604 0.964 . . . . 0.0 113.604 169.654 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 8.6 t -65.22 -60.69 2.72 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-O 117.068 -1.444 . . . . 0.0 109.073 173.437 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -50.58 -41.18 20.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 CA-C-N 120.744 1.611 . . . . 0.0 115.193 171.904 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.27 -56.51 19.67 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 113.813 1.042 . . . . 0.0 113.813 173.924 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.27 -48.15 65.44 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 124.84 1.256 . . . . 0.0 110.743 171.866 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.531 ' CE2' HD13 ' A' ' 41' ' ' ILE . 3.9 t80 -54.48 -59.54 4.56 Favored 'General case' 0 C--N 1.351 0.668 0 C-N-CA 125.223 1.409 . . . . 0.0 112.042 175.776 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 20.7 mmmt -59.98 -39.92 87.38 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 114.165 1.172 . . . . 0.0 114.165 -178.664 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -68.04 -48.95 64.23 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 119.44 1.018 . . . . 0.0 113.054 177.546 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 2.4 m -60.26 -35.76 76.26 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 113.882 1.067 . . . . 0.0 113.882 169.429 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 5.1 t -66.03 -37.22 85.33 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 119.845 1.202 . . . . 0.0 113.356 173.692 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -61.12 -41.33 96.51 Favored 'General case' 0 CA--C 1.541 0.596 0 CA-C-N 120.035 1.288 . . . . 0.0 113.038 165.967 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 21.7 mm -61.22 -42.91 95.24 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.182 0 CA-C-N 120.529 1.513 . . . . 0.0 113.275 170.274 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.31 -48.75 76.07 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 123.929 0.892 . . . . 0.0 113.402 172.515 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 48.4 m-80 -66.79 -33.86 76.56 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 114.187 1.18 . . . . 0.0 114.187 172.684 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -62.21 -51.7 66.74 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 119.07 0.85 . . . . 0.0 112.371 170.778 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 4.5 p -67.78 -30.9 50.03 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.925 0 CA-C-N 119.767 1.167 . . . . 0.0 113.227 177.377 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 -58.08 -37.63 74.86 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.48 1.112 . . . . 0.0 112.84 170.144 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.14 -47.45 28.47 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 113.283 0.846 . . . . 0.0 113.283 169.985 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 . . . . . 0 CA--C 1.543 0.708 0 N-CA-C 114.836 1.421 . . . . 0.0 114.836 179.257 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 13.0 mt . . . . . 0 N--CA 1.478 0.926 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.463 ' O ' ' HB2' ' A' ' 11' ' ' ALA . 33.4 tt0 -61.57 -23.33 65.91 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-O 117.389 -1.291 . . . . 0.0 113.909 177.52 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -73.66 -43.35 59.68 Favored 'General case' 0 CA--C 1.548 0.885 0 CA-C-N 123.839 3.018 . . . . 0.0 113.845 170.85 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -83.26 -49.14 9.72 Favored 'General case' 0 N--CA 1.483 1.178 0 O-C-N 120.223 -1.548 . . . . 0.0 112.997 176.07 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.85 11.71 0.35 Allowed 'General case' 0 CA--C 1.556 1.178 0 N-CA-C 116.63 2.085 . . . . 0.0 116.63 161.667 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.463 ' HB2' ' O ' ' A' ' 7' ' ' GLU . . . -66.54 -39.3 88.49 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 118.111 -2.868 . . . . 0.0 112.577 148.536 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 48.1 mttp -79.32 57.72 2.4 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-O 122.586 1.184 . . . . 0.0 111.356 -170.019 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -68.89 -13.21 62.29 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 114.522 1.305 . . . . 0.0 114.522 176.868 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.6 mtpp -63.7 -39.64 94.81 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.951 0.9 . . . . 0.0 112.099 159.955 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -97.94 70.59 2.14 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-O 125.169 2.414 . . . . 0.0 110.109 178.259 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.95 -38.88 70.93 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 108.948 -3.751 . . . . 0.0 114.372 -174.118 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 64.4 mmm -65.34 -33.71 76.61 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.967 0.907 . . . . 0.0 112.877 175.02 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 58.6 mt -87.95 -44.9 10.68 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.248 0.619 . . . . 0.0 111.331 -172.813 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.75 -33.54 68.59 Favored 'General case' 0 CA--C 1.554 1.124 0 O-C-N 120.574 -1.329 . . . . 0.0 114.489 159.472 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . 0.25 0.1 OUTLIER -68.89 -27.68 66.01 Favored 'General case' 0 CA--C 1.549 0.905 0 CA-C-N 124.09 3.132 . . . . 0.0 111.614 170.535 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 87.5 m -60.76 -37.13 80.78 Favored 'General case' 0 CA--C 1.548 0.88 0 CA-C-N 121.308 1.867 . . . . 0.0 113.818 162.534 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -50.31 -49.17 54.53 Favored 'General case' 0 N--CA 1.482 1.158 0 CA-C-N 119.616 1.098 . . . . 0.0 112.089 160.782 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.402 ' O ' ' HD2' ' A' ' 27' ' ' TYR . 3.8 m-30 -74.18 -29.48 61.78 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 -176.883 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -58.27 -44.68 88.53 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 119.036 0.834 . . . . 0.0 112.524 161.238 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.54 -52.24 51.5 Favored Glycine 0 CA--C 1.531 1.065 0 C-N-CA 123.759 0.695 . . . . 0.0 114.218 171.742 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.4 -43.88 88.75 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 177.24 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.402 ' HD2' ' O ' ' A' ' 23' ' ' TYR . 72.0 m-85 -75.48 68.64 2.16 Favored 'General case' 0 CA--C 1.552 1.023 0 CA-C-N 120.177 1.353 . . . . 0.0 113.727 174.108 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -79.71 147.23 32.02 Favored 'General case' 0 CA--C 1.548 0.894 0 CA-C-N 115.097 -0.956 . . . . 0.0 113.578 174.782 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -132.25 -120.93 0.2 Allowed 'General case' 0 CA--C 1.555 1.154 0 O-C-N 120.97 -1.081 . . . . 0.0 111.748 -178.426 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -72.64 -2.25 19.35 Favored 'General case' 0 CA--C 1.549 0.916 0 O-C-N 119.217 -2.177 . . . . 0.0 116.383 -179.607 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -74.45 106.6 6.13 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-O 122.925 1.345 . . . . 0.0 113.297 -176.112 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -61.1 -36.37 79.51 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 114.216 -1.356 . . . . 0.0 113.622 174.093 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 46.8 p -118.22 138.42 52.35 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-O 121.959 0.885 . . . . 0.0 111.376 166.804 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 94.9 m -61.93 -35.83 79.59 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.423 1.089 . . . . 0.0 113.349 173.18 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.2 mp0 -67.26 -31.07 71.15 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 125.27 1.428 . . . . 0.0 114.334 -172.471 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -70.25 -44.87 67.6 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 121.795 2.088 . . . . 0.0 112.29 173.872 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.579 ' O ' HD12 ' A' ' 41' ' ' ILE . 36.3 ttp85 -58.19 -53.11 62.03 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 114.306 -1.315 . . . . 0.0 110.329 171.037 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -81.64 -1.93 48.43 Favored 'General case' 0 CA--C 1.55 0.96 0 N-CA-C 117.555 2.428 . . . . 0.0 117.555 176.647 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.22 -33.88 73.99 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 119.315 -2.116 . . . . 0.0 112.4 152.929 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 81.9 mtm180 -73.32 -36.27 66.19 Favored 'General case' 0 CA--C 1.552 1.026 0 N-CA-C 114.874 1.435 . . . . 0.0 114.874 166.667 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.59 HD13 ' CE2' ' A' ' 51' ' ' PHE 0.273 3.5 mp -76.02 86.28 0.73 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.867 0 CA-C-O 126.746 3.165 . . . . 0.0 113.503 167.881 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 61.0 mttm -91.17 4.73 51.49 Favored 'General case' 0 CA--C 1.547 0.833 1 CA-C-N 107.937 -4.21 . . . . 0.0 116.107 -174.82 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 79.9 mt -61.82 -40.73 88.04 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.884 0 N-CA-C 114.746 1.387 . . . . 0.0 114.746 -164.875 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -175.7 162.19 31.31 Favored Glycine 0 CA--C 1.545 1.928 0 CA-C-O 117.773 -1.571 . . . . 0.0 115.709 175.312 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_exo -52.38 -51.07 11.95 Favored 'Trans proline' 0 C--N 1.361 1.221 0 C-N-CA 125.266 3.978 . . . . 0.0 116.127 177.912 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 23.0 mmtt -68.26 -23.46 64.78 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 113.869 1.062 . . . . 0.0 113.869 173.5 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 39.5 t -67.29 -58.25 5.17 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-O 117.324 -1.322 . . . . 0.0 110.588 170.713 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -50.95 -40.01 19.95 Favored 'Isoleucine or valine' 0 C--N 1.351 0.663 0 CA-C-N 120.194 1.361 . . . . 0.0 114.447 169.968 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.27 -52.23 64.56 Favored 'General case' 0 CA--C 1.555 1.143 0 N-CA-C 115.564 1.69 . . . . 0.0 115.564 173.302 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.85 -45.37 78.45 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.704 1.202 . . . . 0.0 111.508 170.117 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.59 ' CE2' HD13 ' A' ' 41' ' ' ILE . 2.7 t80 -55.37 -58.03 9.41 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.604 1.162 . . . . 0.0 111.992 174.513 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 43.3 tptt -59.53 -41.18 89.43 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.402 1.081 . . . . 0.0 113.127 -178.325 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.446 ' O ' HD12 ' A' ' 57' ' ' ILE . 94.5 m-20 -66.17 -54.73 21.81 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.691 0.997 . . . . 0.0 113.691 174.465 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 12.3 m -60.31 -28.03 67.79 Favored 'General case' 0 CA--C 1.549 0.907 0 N-CA-C 114.917 1.451 . . . . 0.0 114.917 171.723 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.8 t -71.31 -34.44 70.61 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 120.831 1.65 . . . . 0.0 112.868 170.279 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -58.28 -41.14 83.7 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 120.292 1.406 . . . . 0.0 112.944 162.979 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.446 HD12 ' O ' ' A' ' 53' ' ' ASP . 2.8 mp -61.58 -47.65 92.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 CA-C-N 120.119 1.327 . . . . 0.0 113.379 167.815 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.0 -39.1 68.7 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 172.748 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -64.79 -41.25 95.98 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 169.903 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -64.56 -34.05 77.34 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 113.942 1.09 . . . . 0.0 113.942 170.967 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 86.8 t -64.95 -49.89 77.57 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.759 0 CA-C-N 119.182 0.901 . . . . 0.0 111.74 166.127 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -59.88 -38.55 82.51 Favored 'General case' 0 CA--C 1.548 0.898 0 CA-C-N 119.471 1.032 . . . . 0.0 113.737 176.334 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -89.89 13.81 13.66 Favored 'General case' 0 CA--C 1.555 1.151 0 N-CA-C 114.921 1.452 . . . . 0.0 114.921 169.843 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 . . . . . 0 CA--C 1.554 1.115 0 C-N-CA 128.129 2.572 . . . . 0.0 116.205 173.273 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.0 mp . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 118.728 -0.654 . . . . 0.0 109.749 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -58.72 -54.5 46.39 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 115.99 -1.957 . . . . 0.0 112.179 175.483 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -64.07 -21.93 66.72 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 125.772 3.896 . . . . 0.0 114.738 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -79.23 -69.05 0.6 Allowed 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 119.982 1.264 . . . . 0.0 112.514 163.71 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.84 3.61 7.84 Favored 'General case' 0 CA--C 1.556 1.209 0 N-CA-C 119.396 3.109 . . . . 0.0 119.396 179.594 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.99 -50.93 8.56 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 117.444 -3.285 . . . . 0.0 111.859 156.698 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -83.07 68.02 9.36 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-O 123.294 1.521 . . . . 0.0 111.184 -174.326 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.7 m-30 -54.29 -3.9 0.05 OUTLIER 'General case' 0 CA--C 1.551 1.005 0 N-CA-C 117.03 2.234 . . . . 0.0 117.03 177.534 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -59.05 -31.88 69.25 Favored 'General case' 0 CA--C 1.546 0.79 0 O-C-N 120.821 -1.174 . . . . 0.0 112.288 157.086 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -80.04 58.09 2.85 Favored 'General case' 0 CA--C 1.549 0.933 0 CA-C-O 122.549 1.166 . . . . 0.0 111.312 172.046 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.51 -54.71 43.71 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 115.995 1.85 . . . . 0.0 115.995 -165.955 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 70.7 mmm -67.68 -27.04 66.51 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.769 0.828 . . . . 0.0 113.107 176.01 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 39.3 mt -81.96 -44.98 16.01 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.028 0.931 . . . . 0.0 111.335 -175.242 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -63.19 -31.15 72.22 Favored 'General case' 0 CA--C 1.545 0.784 0 O-C-N 121.428 -0.795 . . . . 0.0 112.087 164.266 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.2 tmtm? -63.71 -38.09 89.81 Favored 'General case' 0 CA--C 1.551 1.006 0 CA-C-N 121.208 1.822 . . . . 0.0 111.443 168.371 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 27.6 m -58.03 -39.56 78.7 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 122.267 2.303 . . . . 0.0 114.786 165.575 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -49.67 -51.96 34.46 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 119.214 0.916 . . . . 0.0 111.572 163.99 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.401 ' O ' ' HD2' ' A' ' 27' ' ' TYR 0.262 6.4 m-30 -74.78 -24.63 58.7 Favored 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 113.814 1.042 . . . . 0.0 113.814 -175.794 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -61.35 -37.33 82.95 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 113.564 0.95 . . . . 0.0 113.564 160.607 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.96 -42.07 69.96 Favored Glycine 0 CA--C 1.532 1.154 0 CA-C-O 119.357 -0.691 . . . . 0.0 114.718 170.312 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.96 -38.79 92.13 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 114.061 1.134 . . . . 0.0 114.061 175.305 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.401 ' HD2' ' O ' ' A' ' 23' ' ' TYR . 52.0 m-85 -72.96 67.95 0.88 Allowed 'General case' 0 CA--C 1.552 1.033 0 CA-C-O 123.383 1.563 . . . . 0.0 113.691 171.782 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 33.0 ttt-85 -146.46 133.41 20.22 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 114.007 -1.451 . . . . 0.0 112.188 174.966 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -140.06 -56.29 0.55 Allowed 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.07 168.439 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -64.72 -53.38 48.07 Favored 'General case' 0 CA--C 1.547 0.862 0 N-CA-C 116.802 2.149 . . . . 0.0 116.802 -175.248 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -79.47 126.3 30.68 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-O 122.359 1.076 . . . . 0.0 113.478 -172.479 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -58.51 -55.5 34.22 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 115.257 1.577 . . . . 0.0 115.257 -169.728 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 33.0 m -105.53 113.78 27.56 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 121.44 -0.787 . . . . 0.0 112.371 -168.85 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 91.5 m -57.63 -38.88 75.76 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 176.806 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 40.7 mp0 -67.21 -14.84 63.29 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 114.185 1.18 . . . . 0.0 114.185 -178.234 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -75.31 -59.32 2.8 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 121.29 1.859 . . . . 0.0 110.006 172.108 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.628 ' O ' HD12 ' A' ' 41' ' ' ILE . 2.9 ptp180 -59.34 -40.3 85.91 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-O 118.003 -0.998 . . . . 0.0 111.944 172.151 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -87.3 6.19 34.65 Favored 'General case' 0 CA--C 1.551 0.994 0 CA-C-N 122.154 2.252 . . . . 0.0 116.889 172.205 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.78 -31.73 63.44 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 119.083 -2.261 . . . . 0.0 112.084 146.4 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 87.2 mtt-85 -72.59 -44.62 61.79 Favored 'General case' 0 CA--C 1.553 1.073 0 N-CA-C 113.247 0.832 . . . . 0.0 113.247 168.643 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.628 HD12 ' O ' ' A' ' 37' ' ' ARG . 3.2 mp -69.62 86.78 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.926 0 CA-C-O 126.734 3.159 . . . . 0.0 113.504 167.613 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 58.0 mttp -97.0 9.98 40.52 Favored 'General case' 0 CA--C 1.547 0.833 1 CA-C-N 107.876 -4.238 . . . . 0.0 115.836 -178.661 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 76.6 mt -62.94 -37.87 80.43 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.962 0 CA-C-N 119.901 1.228 . . . . 0.0 114.156 -166.612 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -177.49 163.59 32.21 Favored Glycine 0 CA--C 1.545 1.968 0 CA-C-O 118.01 -1.439 . . . . 0.0 115.362 172.538 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_exo -53.53 -47.0 29.7 Favored 'Trans proline' 0 C--N 1.359 1.128 0 C-N-CA 124.97 3.78 . . . . 0.0 115.694 174.569 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 42.5 tttm -68.21 -30.03 69.01 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 124.195 0.998 . . . . 0.0 112.374 177.626 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.44 -55.29 18.79 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.487 1.115 . . . . 0.0 111.06 171.622 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . 0.293 0.0 OUTLIER -54.2 -36.11 31.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 N-CA-C 115.612 1.708 . . . . 0.0 115.612 169.263 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -60.86 -51.47 69.17 Favored 'General case' 0 CA--C 1.551 1.015 0 CA-C-N 120.755 1.616 . . . . 0.0 115.216 170.8 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.42 -50.51 62.4 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 124.36 1.064 . . . . 0.0 111.168 168.44 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.553 ' CE2' HD13 ' A' ' 41' ' ' ILE . 2.7 t80 -54.13 -53.53 51.99 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.924 1.29 . . . . 0.0 112.409 176.225 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 53.0 tptt -62.79 -40.9 98.75 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 113.603 0.964 . . . . 0.0 113.603 -178.078 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -73.28 -37.68 66.17 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 120.497 1.498 . . . . 0.0 114.925 175.463 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 9.0 m -63.45 -30.88 71.93 Favored 'General case' 0 CA--C 1.553 1.085 0 N-CA-C 114.344 1.239 . . . . 0.0 114.344 164.564 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 16.4 t -57.9 -42.94 85.73 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 120.894 1.679 . . . . 0.0 113.194 164.022 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -56.66 -44.42 81.33 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 119.712 1.142 . . . . 0.0 112.94 168.024 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 24.0 mm -60.35 -45.39 96.57 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 N-CA-C 113.968 1.099 . . . . 0.0 113.968 170.85 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.78 -45.62 82.01 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 113.664 0.986 . . . . 0.0 113.664 174.497 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 71.3 m-80 -65.85 -38.92 90.12 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 113.656 0.984 . . . . 0.0 113.656 171.612 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -60.19 -48.59 81.07 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-O 118.369 -0.824 . . . . 0.0 112.921 173.167 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 33.2 m -70.36 -28.47 35.4 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.777 0 CA-C-N 120.6 1.545 . . . . 0.0 114.282 175.112 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 57.4 ttt180 -65.57 -42.1 92.17 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 120.318 1.417 . . . . 0.0 113.079 166.142 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.08 -46.34 65.1 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 119.635 1.107 . . . . 0.0 113.796 171.819 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 . . . . . 0 CA--C 1.546 0.803 0 C-N-CA 126.823 2.049 . . . . 0.0 115.145 175.208 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 5.3 mp . . . . . 0 N--CA 1.483 1.181 0 CA-C-O 118.648 -0.692 . . . . 0.0 109.938 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -60.95 -31.54 71.1 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-O 116.693 -1.623 . . . . 0.0 114.588 175.013 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 86.1 mt-10 -69.62 -36.51 76.21 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 123.533 2.879 . . . . 0.0 115.164 170.947 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -87.15 -46.27 9.91 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 120.544 1.52 . . . . 0.0 112.625 177.118 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.83 4.88 3.64 Favored 'General case' 0 CA--C 1.555 1.143 0 N-CA-C 116.254 1.946 . . . . 0.0 116.254 164.316 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.29 -40.2 71.02 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 118.315 -2.74 . . . . 0.0 112.539 149.457 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 48.8 mttp -77.6 62.9 2.61 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-O 122.835 1.302 . . . . 0.0 111.652 -174.052 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -66.5 -14.33 62.13 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 113.763 1.023 . . . . 0.0 113.763 170.928 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.0 tptp -64.38 -35.87 82.3 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 124.351 1.06 . . . . 0.0 112.902 160.214 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -98.19 68.78 1.96 Allowed 'General case' 0 CA--C 1.544 0.727 0 CA-C-O 125.254 2.455 . . . . 0.0 110.089 174.105 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.3 -40.7 74.75 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 108.916 -3.766 . . . . 0.0 114.289 -170.968 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 32.4 ttm -66.78 -32.47 73.78 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.217 1.007 . . . . 0.0 112.745 176.153 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 74.4 mt -86.86 -40.39 14.94 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 121.069 -1.019 . . . . 0.0 112.427 -174.45 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.68 -29.67 70.87 Favored 'General case' 0 CA--C 1.551 1.014 0 O-C-N 120.79 -1.194 . . . . 0.0 113.108 160.492 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.0 tmtm? -66.52 -34.19 77.37 Favored 'General case' 0 CA--C 1.549 0.937 0 CA-C-N 122.055 2.207 . . . . 0.0 111.508 167.538 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 98.5 m -53.94 -43.12 69.55 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 122.175 2.261 . . . . 0.0 113.774 163.44 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -49.25 -55.94 10.98 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 122.795 0.438 . . . . 0.0 111.337 163.648 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.414 ' O ' ' HD2' ' A' ' 27' ' ' TYR 0.265 5.3 m-30 -72.8 -22.29 60.85 Favored 'General case' 0 CA--C 1.552 1.035 0 N-CA-C 114.237 1.199 . . . . 0.0 114.237 -173.838 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -58.85 -48.64 80.65 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.145 0.978 . . . . 0.0 112.286 159.679 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.83 -42.32 96.52 Favored Glycine 0 CA--C 1.532 1.145 0 CA-C-O 119.428 -0.651 . . . . 0.0 114.655 172.354 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.81 -46.36 85.47 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 114.212 1.19 . . . . 0.0 114.212 175.237 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.414 ' HD2' ' O ' ' A' ' 23' ' ' TYR . 59.8 m-85 -73.95 66.65 1.19 Allowed 'General case' 0 CA--C 1.552 1.055 0 CA-C-N 120.511 1.505 . . . . 0.0 114.978 178.246 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -74.36 134.45 42.48 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-O 122.341 1.067 . . . . 0.0 113.578 170.717 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -157.02 -59.33 0.09 Allowed 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 114.853 -1.067 . . . . 0.0 113.808 -166.317 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -74.04 -45.28 50.57 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 116.577 2.066 . . . . 0.0 116.577 -173.224 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -143.86 -177.42 5.42 Favored 'General case' 0 CA--C 1.55 0.977 0 CA-C-N 120.381 1.446 . . . . 0.0 112.129 -178.948 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -78.89 -43.15 25.55 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 116.132 1.901 . . . . 0.0 116.132 170.709 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 41.2 p -85.0 113.87 21.75 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 121.012 -1.055 . . . . 0.0 113.769 -167.743 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 81.1 m -64.19 -37.97 89.38 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 178.823 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.75 -5.17 39.05 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 114.47 1.285 . . . . 0.0 114.47 178.453 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -70.97 -59.84 2.56 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 121.202 1.819 . . . . 0.0 110.428 163.369 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.574 ' O ' HD12 ' A' ' 41' ' ' ILE . 33.1 mtm180 -54.83 -50.7 67.96 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 115.0 -1.0 . . . . 0.0 112.255 170.034 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . 0.283 . . -89.08 15.31 8.91 Favored 'General case' 0 CA--C 1.55 0.964 0 N-CA-C 116.079 1.881 . . . . 0.0 116.079 177.491 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.15 -43.12 62.02 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 119.586 -1.946 . . . . 0.0 112.021 140.069 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.8 mpp_? -70.42 -42.62 71.36 Favored 'General case' 0 CA--C 1.553 1.062 0 N-CA-C 114.545 1.313 . . . . 0.0 114.545 172.25 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.574 HD12 ' O ' ' A' ' 37' ' ' ARG . 3.3 mp -68.95 88.36 0.18 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.969 0 CA-C-O 126.875 3.226 . . . . 0.0 112.684 166.55 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 29.9 mmtm -95.61 7.29 46.7 Favored 'General case' 0 CA--C 1.544 0.745 1 CA-C-N 107.137 -4.574 . . . . 0.0 116.491 -176.158 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 73.6 mt -63.8 -39.28 84.81 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.906 0 N-CA-C 114.3 1.222 . . . . 0.0 114.3 -166.181 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 177.44 168.5 37.27 Favored Glycine 0 CA--C 1.545 1.965 0 CA-C-N 120.224 1.375 . . . . 0.0 116.465 173.058 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_exo -52.83 -46.8 31.12 Favored 'Trans proline' 0 C--N 1.361 1.191 0 C-N-CA 125.223 3.949 . . . . 0.0 115.964 174.928 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -66.01 -30.93 71.56 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.846 0.859 . . . . 0.0 112.242 175.701 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 43.3 t -65.93 -57.92 6.73 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-O 117.386 -1.292 . . . . 0.0 111.677 172.416 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -52.23 -38.13 24.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 CA-C-N 120.884 1.674 . . . . 0.0 115.106 170.967 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.15 -53.47 56.62 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 115.313 1.598 . . . . 0.0 115.313 170.892 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.21 -48.36 68.19 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 124.254 1.021 . . . . 0.0 111.017 169.929 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.536 ' CE2' HD13 ' A' ' 41' ' ' ILE . 3.0 t80 -55.21 -57.4 11.94 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.218 1.407 . . . . 0.0 112.3 176.49 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.433 ' O ' ' HD1' ' A' ' 56' ' ' TYR . 41.7 mttm -65.62 -34.7 78.84 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 115.489 1.662 . . . . 0.0 115.489 -179.551 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -69.93 -44.14 70.23 Favored 'General case' 0 CA--C 1.55 0.943 0 CA-C-N 121.486 1.948 . . . . 0.0 113.36 173.593 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 5.6 m -63.35 -31.63 72.84 Favored 'General case' 0 CA--C 1.552 1.026 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 167.453 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 51.9 t -57.03 -42.41 80.36 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 120.506 1.503 . . . . 0.0 112.683 164.374 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.433 ' HD1' ' O ' ' A' ' 52' ' ' LYS . 24.9 m-85 -59.15 -41.38 88.2 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 120.249 1.386 . . . . 0.0 113.777 169.534 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 27.2 mm -58.91 -48.74 85.45 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.256 0 CA-C-N 119.902 1.228 . . . . 0.0 113.804 167.959 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.1 -40.9 77.9 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 113.439 0.903 . . . . 0.0 113.439 173.622 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -61.92 -37.51 84.96 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.448 1.099 . . . . 0.0 113.408 172.707 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -64.64 -45.83 85.14 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 118.859 0.754 . . . . 0.0 112.665 168.533 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 90.4 t -64.26 -45.02 97.38 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.834 0 N-CA-C 113.805 1.039 . . . . 0.0 113.805 177.294 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 36.8 ptt180 -68.17 -20.5 64.88 Favored 'General case' 0 CA--C 1.548 0.895 0 CA-C-N 121.286 1.857 . . . . 0.0 114.374 175.245 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -85.16 -56.72 3.4 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 119.284 0.947 . . . . 0.0 112.674 166.794 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 . . . . . 0 CA--C 1.547 0.836 0 O-C-N 120.409 -1.432 . . . . 0.0 111.548 -179.305 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.2 mt . . . . . 0 N--CA 1.486 1.367 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -58.87 -38.32 78.53 Favored 'General case' 0 C--N 1.347 0.492 0 CA-C-O 117.633 -1.175 . . . . 0.0 112.507 -179.179 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -60.71 -57.79 11.22 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 120.863 1.665 . . . . 0.0 115.343 168.1 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -71.77 -42.38 67.24 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 120.974 1.716 . . . . 0.0 113.912 -175.851 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.88 -4.97 31.2 Favored 'General case' 0 CA--C 1.555 1.16 0 N-CA-C 116.517 2.043 . . . . 0.0 116.517 162.443 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -80.09 -42.09 24.31 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 124.729 3.422 . . . . 0.0 113.073 152.798 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 52.1 mttp -69.51 59.04 0.13 Allowed 'General case' 0 CA--C 1.552 1.037 0 CA-C-O 122.827 1.299 . . . . 0.0 113.233 178.175 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -60.05 -12.88 9.21 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 126.192 1.797 . . . . 0.0 115.354 176.131 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -60.98 -36.89 80.62 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.242 1.017 . . . . 0.0 112.209 162.566 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 58.9 m-85 -92.75 67.16 4.47 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-O 124.395 2.045 . . . . 0.0 110.209 173.661 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.91 -43.18 81.14 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 110.819 -2.9 . . . . 0.0 114.213 -173.098 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 61.9 mtp -65.96 -29.91 70.38 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.132 0.973 . . . . 0.0 113.397 175.438 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 63.9 mt -87.09 -38.84 16.12 Favored 'General case' 0 CA--C 1.537 0.475 0 O-C-N 121.399 -0.813 . . . . 0.0 112.255 -175.269 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.81 -32.51 74.08 Favored 'General case' 0 CA--C 1.55 0.947 0 O-C-N 120.981 -1.074 . . . . 0.0 112.975 161.354 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.1 tptp -67.24 -28.76 68.32 Favored 'General case' 0 CA--C 1.553 1.084 0 CA-C-N 122.081 2.219 . . . . 0.0 112.345 168.827 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.2 t -63.26 -40.9 98.72 Favored 'General case' 0 CA--C 1.551 1.006 0 CA-C-N 119.983 1.265 . . . . 0.0 113.273 165.074 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.6 t -47.41 -56.95 5.91 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 118.812 0.733 . . . . 0.0 110.957 160.187 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.419 ' O ' ' HD2' ' A' ' 27' ' ' TYR 0.282 6.7 m-30 -72.1 -21.43 61.49 Favored 'General case' 0 CA--C 1.553 1.08 0 N-CA-C 114.213 1.19 . . . . 0.0 114.213 -173.972 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.2 t0 -61.74 -40.71 96.07 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.746 1.218 . . . . 0.0 112.586 161.21 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.5 -40.59 91.05 Favored Glycine 0 CA--C 1.537 1.412 0 CA-C-O 119.001 -0.888 . . . . 0.0 114.948 167.37 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.36 -42.32 96.27 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 114.914 1.45 . . . . 0.0 114.914 178.602 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.419 ' HD2' ' O ' ' A' ' 23' ' ' TYR . 59.7 m-85 -72.73 55.53 0.38 Allowed 'General case' 0 CA--C 1.555 1.137 0 CA-C-N 120.826 1.648 . . . . 0.0 114.869 176.891 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 20.4 mmm180 -143.09 166.64 24.11 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.777 1.231 . . . . 0.0 114.206 -179.118 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 26.6 t30 -147.8 -78.98 0.15 Allowed 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.635 177.92 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -73.19 66.19 0.86 Allowed 'General case' 0 CA--C 1.547 0.857 0 CA-C-O 123.275 1.512 . . . . 0.0 114.677 -173.658 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -89.14 119.66 29.84 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 114.459 -1.246 . . . . 0.0 112.001 174.804 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -66.32 -51.81 53.51 Favored 'General case' 0 CA--C 1.547 0.837 0 O-C-N 120.822 -1.174 . . . . 0.0 110.711 165.744 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 24.9 m -150.81 132.97 15.34 Favored 'General case' 0 CA--C 1.545 0.787 0 O-C-N 120.657 -1.277 . . . . 0.0 110.734 159.312 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 90.4 m -53.16 -34.17 55.73 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 115.042 1.497 . . . . 0.0 115.042 -175.615 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -66.4 -9.57 35.05 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 125.244 1.418 . . . . 0.0 113.727 177.043 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -72.05 -58.92 3.03 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 123.184 2.72 . . . . 0.0 110.686 168.7 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.577 ' O ' HD12 ' A' ' 41' ' ' ILE . 26.8 ttt180 -61.57 -44.02 97.8 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 112.742 -2.027 . . . . 0.0 110.143 176.057 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -92.33 19.34 7.19 Favored 'General case' 0 CA--C 1.553 1.094 0 N-CA-C 115.856 1.798 . . . . 0.0 115.856 172.127 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -75.78 -38.24 58.46 Favored 'General case' 0 N--CA 1.468 0.446 0 O-C-N 118.742 -2.474 . . . . 0.0 111.681 140.701 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -66.8 -49.05 67.09 Favored 'General case' 0 CA--C 1.551 1.003 0 N-CA-C 113.207 0.818 . . . . 0.0 113.207 169.621 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.577 HD12 ' O ' ' A' ' 37' ' ' ARG . 3.4 mp -77.29 82.13 0.79 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.806 0 CA-C-O 126.252 2.93 . . . . 0.0 113.047 169.846 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.0 tptt -118.76 40.28 3.3 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-N 108.413 -3.994 . . . . 0.0 112.523 177.635 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 73.5 mt -71.55 -40.14 71.16 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.807 0 C-N-CA 123.531 0.732 . . . . 0.0 111.993 -179.349 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -161.95 155.49 26.77 Favored Glycine 0 CA--C 1.545 1.954 0 CA-C-O 117.483 -1.731 . . . . 0.0 114.468 176.01 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_exo -52.21 -48.02 23.87 Favored 'Trans proline' 0 C--N 1.36 1.165 0 C-N-CA 124.985 3.79 . . . . 0.0 115.609 175.677 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -62.58 -32.97 74.05 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 113.453 0.909 . . . . 0.0 113.453 173.237 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 10.7 t -65.68 -60.31 3.03 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-O 117.385 -1.293 . . . . 0.0 109.457 175.337 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -50.9 -42.86 24.21 Favored 'Isoleucine or valine' 0 C--N 1.352 0.685 0 CA-C-N 120.488 1.495 . . . . 0.0 114.932 173.718 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.5 ttpp -61.5 -55.48 30.57 Favored 'General case' 0 CA--C 1.55 0.96 0 CA-C-O 117.825 -1.083 . . . . 0.0 113.335 174.748 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -50.43 -48.98 56.09 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-N 120.123 1.329 . . . . 0.0 111.079 170.832 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.539 ' CE2' HD13 ' A' ' 41' ' ' ILE . 7.2 t80 -53.73 -58.26 7.87 Favored 'General case' 0 C--N 1.349 0.554 0 C-N-CA 125.188 1.395 . . . . 0.0 112.257 176.251 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -66.11 -28.82 69.1 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 114.424 1.268 . . . . 0.0 114.424 -179.274 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -63.57 -53.34 53.21 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 120.28 1.4 . . . . 0.0 113.18 169.807 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 15.2 m -64.33 -35.15 79.93 Favored 'General case' 0 CA--C 1.553 1.094 0 N-CA-C 115.276 1.584 . . . . 0.0 115.276 171.467 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 8.3 t -65.51 -36.87 85.13 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 121.092 1.769 . . . . 0.0 112.767 172.653 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.415 ' O ' ' HG2' ' A' ' 60' ' ' GLN . 8.9 t80 -55.87 -48.43 75.57 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-O 117.875 -1.06 . . . . 0.0 112.228 164.175 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 26.8 mm -57.98 -47.42 86.64 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.167 0 CA-C-N 120.527 1.512 . . . . 0.0 114.881 170.428 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.48 -45.49 69.64 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 174.005 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 13.9 m-80 -72.15 -26.03 61.93 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 115.155 1.539 . . . . 0.0 115.155 172.792 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.415 ' HG2' ' O ' ' A' ' 56' ' ' TYR . 14.4 mm-40 -68.46 -40.84 80.9 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 121.302 1.865 . . . . 0.0 112.896 164.743 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 98.5 t -62.29 -39.07 82.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 CA-C-N 119.731 1.15 . . . . 0.0 112.851 172.705 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -54.96 -41.5 71.21 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 124.76 1.224 . . . . 0.0 114.06 168.935 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -77.68 -48.63 16.3 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 172.552 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 . . . . . 0 CA--C 1.546 0.792 0 C-N-CA 126.903 2.081 . . . . 0.0 115.388 177.169 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.2 mp . . . . . 0 N--CA 1.484 1.267 0 N-CA-C 110.008 -0.368 . . . . 0.0 110.008 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 41.1 mm-40 -60.07 -47.7 84.8 Favored 'General case' 0 C--O 1.217 -0.644 0 CA-C-O 115.834 -2.031 . . . . 0.0 112.084 174.166 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -64.6 -17.97 64.47 Favored 'General case' 0 CA--C 1.553 1.071 1 CA-C-N 126.176 4.08 . . . . 0.0 115.576 177.743 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -86.25 -48.16 8.78 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 121.005 1.729 . . . . 0.0 114.515 161.667 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.576 ' O ' ' HD1' ' A' ' 13' ' ' TYR . . . -63.69 -63.77 1.08 Allowed 'General case' 0 N--CA 1.478 0.965 0 CA-C-O 115.704 -2.093 . . . . 0.0 115.797 168.194 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -50.34 -24.46 3.0 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 124.26 3.209 . . . . 0.0 118.071 -165.224 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 59.3 mttp -62.42 -36.62 82.95 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 123.859 0.864 . . . . 0.0 112.616 169.327 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.576 ' HD1' ' O ' ' A' ' 10' ' ' ALA 0.295 1.6 m-85 53.5 -29.96 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 118.925 2.935 . . . . 0.0 118.925 178.721 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -62.44 -33.92 75.76 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.612 1.565 . . . . 0.0 112.835 168.783 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 62.4 m-85 -76.28 65.77 2.27 Favored 'General case' 0 CA--C 1.548 0.886 0 CA-C-O 124.058 1.885 . . . . 0.0 112.076 169.064 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.43 -50.66 73.07 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 111.118 -2.765 . . . . 0.0 115.495 -167.079 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 4.2 mpp? -63.66 -31.76 73.03 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.154 0.982 . . . . 0.0 113.102 178.773 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 37.8 mt -83.08 -47.44 11.66 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.065 0.946 . . . . 0.0 110.962 -173.666 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.7 tmmm? -52.94 -42.03 65.04 Favored 'General case' 0 CA--C 1.55 0.944 0 N-CA-C 114.441 1.274 . . . . 0.0 114.441 159.301 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.25 -32.35 73.73 Favored 'General case' 0 CA--C 1.549 0.933 0 CA-C-N 121.11 1.777 . . . . 0.0 112.187 169.958 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 18.2 m -60.73 -38.17 84.23 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 122.68 2.491 . . . . 0.0 114.699 163.18 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -50.49 -55.9 13.94 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 120.295 1.407 . . . . 0.0 110.803 164.362 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.261 6.4 m-30 -72.35 -25.33 61.49 Favored 'General case' 0 CA--C 1.554 1.098 0 N-CA-C 113.675 0.991 . . . . 0.0 113.675 -173.982 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.28 -34.9 78.69 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.144 1.378 . . . . 0.0 113.456 164.155 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -78.07 -32.62 43.56 Favored Glycine 0 CA--C 1.534 1.269 0 CA-C-O 118.97 -0.905 . . . . 0.0 115.15 168.679 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.33 -46.46 80.17 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 119.028 1.414 . . . . 0.0 113.807 174.78 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -74.91 40.19 0.14 Allowed 'General case' 0 CA--C 1.555 1.149 0 N-CA-C 115.515 1.672 . . . . 0.0 115.515 178.388 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 34.4 mmt180 -117.22 72.43 0.83 Allowed 'General case' 0 CA--C 1.546 0.819 0 O-C-N 119.685 -1.885 . . . . 0.0 112.796 -175.3 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 23.2 m120 -84.05 -56.44 3.67 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 115.307 -0.86 . . . . 0.0 112.932 175.384 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -68.16 -33.43 74.45 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 114.429 1.27 . . . . 0.0 114.429 176.299 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -77.84 84.68 4.14 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 113.466 0.913 . . . . 0.0 113.466 -179.22 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.48 -49.79 66.71 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 116.812 2.153 . . . . 0.0 116.812 -174.46 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 90.2 m -109.01 99.58 8.89 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 121.228 1.831 . . . . 0.0 109.376 -178.13 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 77.5 m -59.19 -40.35 85.42 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 114.948 1.462 . . . . 0.0 114.948 -174.796 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -66.49 -16.77 64.38 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 114.612 1.338 . . . . 0.0 114.612 -177.683 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -69.16 -50.56 46.58 Favored 'General case' 0 CA--C 1.55 0.971 0 CA-C-O 122.566 1.174 . . . . 0.0 110.829 166.881 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.609 ' O ' HD12 ' A' ' 41' ' ' ILE . 8.6 mpt_? -66.09 -44.35 84.67 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 114.579 -1.191 . . . . 0.0 110.128 177.92 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . 0.258 . . -85.75 5.35 32.72 Favored 'General case' 0 CA--C 1.551 0.995 0 N-CA-C 116.231 1.937 . . . . 0.0 116.231 173.775 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.51 -32.48 64.28 Favored 'General case' 0 CA--C 1.543 0.705 0 O-C-N 119.429 -2.044 . . . . 0.0 112.519 145.382 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 70.9 mtt85 -73.81 -44.63 55.25 Favored 'General case' 0 CA--C 1.553 1.076 0 O-C-N 120.787 -1.195 . . . . 0.0 113.406 166.706 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.609 HD12 ' O ' ' A' ' 37' ' ' ARG 0.257 3.2 mp -68.96 84.93 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.551 1.002 0 CA-C-O 126.806 3.193 . . . . 0.0 113.122 167.363 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 55.1 mttp -94.83 11.07 32.88 Favored 'General case' 0 CA--C 1.545 0.781 1 CA-C-N 107.87 -4.241 . . . . 0.0 115.857 -176.877 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 46.3 mm -63.35 -34.99 70.45 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.905 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 -167.77 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -177.36 161.73 29.33 Favored Glycine 0 CA--C 1.546 1.987 0 CA-C-O 118.103 -1.387 . . . . 0.0 115.234 171.86 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_exo -52.65 -47.17 28.63 Favored 'Trans proline' 0 C--N 1.36 1.146 0 C-N-CA 124.976 3.784 . . . . 0.0 115.423 174.239 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -68.74 -24.68 64.48 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 123.68 0.792 . . . . 0.0 112.469 174.879 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.5 -56.52 7.14 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.67 172.296 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -50.94 -42.11 23.14 Favored 'Isoleucine or valine' 0 C--N 1.352 0.689 0 CA-C-N 120.227 1.376 . . . . 0.0 114.605 169.762 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.27 -52.18 66.68 Favored 'General case' 0 CA--C 1.55 0.945 0 N-CA-C 114.961 1.467 . . . . 0.0 114.961 172.895 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.57 -47.54 79.29 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.368 1.067 . . . . 0.0 110.884 171.345 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.556 ' CE2' HD13 ' A' ' 41' ' ' ILE . 2.8 t80 -54.68 -55.07 33.62 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.05 1.34 . . . . 0.0 112.441 176.712 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 25.5 ttpt -64.83 -38.56 91.39 Favored 'General case' 0 CA--C 1.55 0.944 0 N-CA-C 113.985 1.105 . . . . 0.0 113.985 -179.845 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.63 -50.37 72.82 Favored 'General case' 0 CA--C 1.551 0.984 0 CA-C-N 120.417 1.462 . . . . 0.0 113.902 172.379 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 10.9 m -64.73 -27.76 69.13 Favored 'General case' 0 CA--C 1.551 1.017 0 N-CA-C 114.438 1.273 . . . . 0.0 114.438 171.358 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 52.1 t -61.36 -38.79 88.23 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 121.194 1.815 . . . . 0.0 113.276 164.323 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -57.59 -42.89 84.06 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 119.943 1.247 . . . . 0.0 112.866 166.616 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 24.5 mm -60.6 -46.46 95.62 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 N-CA-C 114.079 1.14 . . . . 0.0 114.079 168.084 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.15 -42.97 77.82 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 113.225 0.824 . . . . 0.0 113.225 173.668 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -66.42 -32.7 74.23 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 114.867 1.432 . . . . 0.0 114.867 171.375 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -62.7 -43.42 98.85 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 120.068 1.304 . . . . 0.0 112.93 164.195 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 97.4 t -62.42 -33.9 61.72 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.936 0 CA-C-N 120.036 1.289 . . . . 0.0 112.961 172.914 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -61.83 -47.23 86.01 Favored 'General case' 0 CA--C 1.546 0.802 0 O-C-N 120.666 -1.271 . . . . 0.0 113.339 167.467 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.34 -51.45 10.09 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 114.726 1.38 . . . . 0.0 114.726 179.739 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 . . . . . 0 CA--C 1.548 0.872 0 CA-C-O 123.187 1.47 . . . . 0.0 111.3 -176.859 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.7 mt . . . . . 0 N--CA 1.485 1.315 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -59.32 -44.38 92.58 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 116.832 -1.556 . . . . 0.0 112.742 -179.697 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -71.61 -33.35 68.92 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 123.0 2.637 . . . . 0.0 116.24 173.861 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.61 -57.15 3.97 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 123.884 3.038 . . . . 0.0 112.852 172.43 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.92 3.21 2.78 Favored 'General case' 0 CA--C 1.556 1.202 0 N-CA-C 117.226 2.306 . . . . 0.0 117.226 170.817 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -79.24 -41.97 27.01 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 124.28 3.218 . . . . 0.0 114.374 154.528 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 35.6 mtmm -63.55 -45.29 91.2 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 114.714 1.376 . . . . 0.0 114.714 -167.994 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 62.24 -29.6 0.07 Allowed 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 117.056 2.243 . . . . 0.0 117.056 173.013 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -61.08 -39.37 89.63 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.259 1.423 . . . . 0.0 111.921 164.902 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -78.85 66.63 4.37 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-O 124.481 2.086 . . . . 0.0 111.741 167.092 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.88 -47.75 83.83 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 110.319 -3.128 . . . . 0.0 114.597 -170.484 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 34.5 ttm -64.53 -32.24 73.8 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.219 1.008 . . . . 0.0 112.786 177.917 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 79.1 mt -83.55 -43.45 15.7 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 123.38 0.672 . . . . 0.0 112.549 -175.531 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.91 -29.74 70.22 Favored 'General case' 0 CA--C 1.551 0.981 0 CA-C-N 119.495 1.043 . . . . 0.0 113.192 163.11 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -67.97 -30.83 70.21 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-N 122.672 2.487 . . . . 0.0 111.501 168.642 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 7.0 t -63.77 -37.92 89.16 Favored 'General case' 0 CA--C 1.552 1.033 0 CA-C-N 120.656 1.571 . . . . 0.0 113.512 166.525 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.1 t -48.07 -56.98 6.45 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.19 0.596 . . . . 0.0 110.908 158.78 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.268 5.8 m-30 -72.67 -21.33 61.09 Favored 'General case' 0 CA--C 1.554 1.103 0 N-CA-C 114.396 1.258 . . . . 0.0 114.396 -174.207 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -61.38 -38.24 86.32 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.159 1.384 . . . . 0.0 112.913 160.412 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.84 -34.34 62.44 Favored Glycine 0 CA--C 1.535 1.298 0 CA-C-O 118.726 -1.041 . . . . 0.0 115.619 167.175 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.85 -47.76 65.15 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 119.725 1.763 . . . . 0.0 114.386 175.421 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -75.92 55.04 0.87 Allowed 'General case' 0 CA--C 1.553 1.077 0 CA-C-N 120.515 1.507 . . . . 0.0 114.286 -179.992 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 27.4 mmt180 -123.43 156.66 35.07 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 124.325 1.05 . . . . 0.0 113.025 -177.774 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -155.46 -76.57 0.1 Allowed 'General case' 0 CA--C 1.544 0.728 0 O-C-N 121.639 -0.663 . . . . 0.0 112.091 -169.626 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -73.22 45.06 0.15 Allowed 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 125.415 1.486 . . . . 0.0 114.105 -178.179 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -115.5 104.72 12.02 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 121.002 -1.061 . . . . 0.0 112.492 -169.03 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -63.65 -36.26 83.24 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 113.867 1.062 . . . . 0.0 113.867 176.686 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 94.8 m -152.16 121.91 6.97 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 120.312 -1.492 . . . . 0.0 111.105 176.903 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 94.9 m -58.13 -43.51 87.32 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.03 1.332 . . . . 0.0 114.166 -178.884 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 25.4 mp0 -65.71 -26.83 67.93 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.772 1.229 . . . . 0.0 114.17 -178.232 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -70.9 -51.3 26.97 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 120.422 1.464 . . . . 0.0 110.28 173.568 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.585 ' O ' HD12 ' A' ' 41' ' ' ILE . 43.5 mmm-85 -57.7 -48.25 80.1 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 115.228 -0.897 . . . . 0.0 111.047 174.114 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -80.48 -4.96 55.82 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 116.906 2.187 . . . . 0.0 116.906 175.107 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.89 -33.12 74.9 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 119.191 -2.193 . . . . 0.0 112.339 152.079 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 25.8 mmt180 -73.66 -38.77 64.85 Favored 'General case' 0 CA--C 1.553 1.065 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 168.667 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.585 HD12 ' O ' ' A' ' 37' ' ' ARG 0.313 3.4 mp -72.46 81.86 0.36 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.947 0 CA-C-O 127.598 3.571 . . . . 0.0 112.986 167.278 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.6 4.72 42.69 Favored 'General case' 0 CA--C 1.542 0.648 1 CA-C-N 106.662 -4.79 . . . . 0.0 116.814 -170.72 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 67.4 mt -65.8 -47.7 84.79 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.826 0 N-CA-C 114.283 1.216 . . . . 0.0 114.283 -165.105 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -167.94 158.24 30.94 Favored Glycine 0 CA--C 1.544 1.9 0 CA-C-O 117.375 -1.792 . . . . 0.0 115.828 178.491 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -52.08 -50.5 13.8 Favored 'Trans proline' 0 C--N 1.361 1.217 0 C-N-CA 125.279 3.986 . . . . 0.0 116.113 179.817 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.3 -29.99 71.21 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 113.463 0.912 . . . . 0.0 113.463 174.389 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 42.9 t -67.5 -61.63 1.81 Allowed 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 117.342 -1.313 . . . . 0.0 109.767 173.847 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -48.87 -36.88 8.44 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.683 0 CA-C-N 120.906 1.685 . . . . 0.0 115.295 172.51 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.6 ttpp -66.45 -58.72 4.66 Favored 'General case' 0 CA--C 1.554 1.111 0 CA-C-O 117.797 -1.097 . . . . 0.0 113.942 171.733 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -48.87 -43.45 38.93 Favored 'General case' 0 N--CA 1.482 1.153 0 CA-C-N 120.357 1.435 . . . . 0.0 111.281 171.873 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.557 ' CE2' HD13 ' A' ' 41' ' ' ILE . 3.5 t80 -55.86 -58.53 7.48 Favored 'General case' 0 C--N 1.349 0.544 0 CA-C-O 117.35 -1.309 . . . . 0.0 112.185 173.52 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 31.3 mttp -60.72 -31.97 71.25 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 120.994 1.724 . . . . 0.0 113.953 179.818 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -67.3 -52.86 35.35 Favored 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 113.552 0.945 . . . . 0.0 113.552 175.241 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 20.0 m -66.02 -28.02 68.55 Favored 'General case' 0 CA--C 1.55 0.958 0 N-CA-C 114.677 1.362 . . . . 0.0 114.677 169.411 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.9 t -69.97 -31.68 69.53 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 121.379 1.9 . . . . 0.0 112.79 170.637 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.442 ' O ' ' HG2' ' A' ' 60' ' ' GLN . 1.0 OUTLIER -55.14 -49.61 71.35 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-O 117.963 -1.018 . . . . 0.0 111.553 160.511 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 27.7 mm -55.44 -48.25 77.32 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.233 0 CA-C-N 120.235 1.379 . . . . 0.0 114.459 168.33 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.05 -51.07 65.22 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 114.056 1.132 . . . . 0.0 114.056 177.555 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 17.9 p30 -66.72 -34.55 78.09 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 120.288 1.403 . . . . 0.0 114.074 175.348 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.442 ' HG2' ' O ' ' A' ' 56' ' ' TYR . 48.3 mm-40 -67.15 -49.39 64.94 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 119.937 1.244 . . . . 0.0 112.774 171.774 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.1 p -66.48 -31.8 55.2 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.797 0 CA-C-N 120.574 1.534 . . . . 0.0 113.071 179.223 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.7 -41.24 94.78 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 119.517 1.053 . . . . 0.0 113.677 168.542 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.2 -29.35 63.89 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 114.293 1.22 . . . . 0.0 114.293 173.724 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 . . . . . 0 CA--C 1.544 0.738 0 N-CA-C 115.094 1.516 . . . . 0.0 115.094 175.082 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.5 mp . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 118.846 -0.597 . . . . 0.0 109.889 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -55.93 -54.96 38.37 Favored 'General case' 0 C--N 1.347 0.488 0 CA-C-O 116.451 -1.738 . . . . 0.0 111.557 174.558 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -59.86 -28.96 67.97 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-N 123.454 2.843 . . . . 0.0 116.146 -179.324 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -86.1 -54.3 4.56 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 122.528 2.422 . . . . 0.0 114.059 167.547 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.05 1.58 4.47 Favored 'General case' 0 CA--C 1.555 1.166 0 N-CA-C 117.007 2.225 . . . . 0.0 117.007 173.071 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.6 -33.92 47.1 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 118.445 -2.66 . . . . 0.0 114.298 156.625 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 55.3 mttp -68.34 -49.92 56.9 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 114.009 1.114 . . . . 0.0 114.009 -170.318 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 61.37 -28.4 0.06 Allowed 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 116.914 2.19 . . . . 0.0 116.914 175.942 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 39.9 ttpt -59.96 -43.48 95.04 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.549 1.54 . . . . 0.0 111.553 162.673 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -77.31 66.06 3.0 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-O 124.299 2.0 . . . . 0.0 111.979 166.945 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.44 -48.29 82.22 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 110.793 -2.912 . . . . 0.0 114.694 -170.506 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 28.2 ttp -65.93 -28.79 69.18 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.953 0.901 . . . . 0.0 112.622 178.418 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 65.3 mt -87.33 -42.51 12.83 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 121.532 -0.73 . . . . 0.0 112.372 -174.621 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.93 -31.91 72.27 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-N 119.907 1.231 . . . . 0.0 112.98 160.344 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.9 tmtm? -68.83 -32.98 73.06 Favored 'General case' 0 CA--C 1.552 1.025 0 O-C-N 119.384 -2.073 . . . . 0.0 111.866 171.553 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.9 t -58.58 -41.34 85.51 Favored 'General case' 0 CA--C 1.551 1.004 0 CA-C-N 119.619 1.099 . . . . 0.0 112.612 165.275 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -47.39 -54.76 10.41 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-N 118.874 0.761 . . . . 0.0 111.565 160.655 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.276 5.2 m-30 -70.84 -27.36 63.8 Favored 'General case' 0 CA--C 1.552 1.044 0 N-CA-C 113.992 1.108 . . . . 0.0 113.992 -174.385 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -61.09 -34.69 75.32 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 115.034 1.494 . . . . 0.0 115.034 159.807 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.99 -36.64 86.53 Favored Glycine 0 CA--C 1.535 1.299 0 CA-C-N 119.158 0.89 . . . . 0.0 113.84 167.48 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.25 -54.72 13.29 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 114.546 1.313 . . . . 0.0 114.546 177.113 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . 0.265 2.0 p90 -80.81 45.43 0.81 Allowed 'General case' 0 CA--C 1.554 1.116 0 CA-C-N 122.799 2.545 . . . . 0.0 114.358 179.721 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 58.1 ttt85 -116.68 128.17 55.1 Favored 'General case' 0 CA--C 1.545 0.78 0 O-C-N 120.118 -1.614 . . . . 0.0 113.671 -169.43 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -100.34 76.8 1.9 Allowed 'General case' 0 CA--C 1.54 0.564 0 CA-C-O 123.437 1.589 . . . . 0.0 112.893 168.882 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -72.8 -42.96 63.35 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 112.976 -1.92 . . . . 0.0 112.503 173.089 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . 0.27 61.3 m-20 63.48 -40.62 0.2 Allowed 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 116.661 2.097 . . . . 0.0 116.661 179.689 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -74.25 -167.48 0.53 Allowed 'General case' 0 CA--C 1.559 1.299 0 CA-C-N 119.518 1.053 . . . . 0.0 113.504 160.336 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 27.1 m -73.21 104.47 4.27 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 119.584 -1.948 . . . . 0.0 112.41 -176.114 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.76 -45.1 93.29 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.009 1.324 . . . . 0.0 113.859 -171.887 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -68.92 -22.88 64.13 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 114.422 1.267 . . . . 0.0 114.422 179.301 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -73.95 -47.0 40.62 Favored 'General case' 0 CA--C 1.546 0.807 0 O-C-N 121.254 -0.904 . . . . 0.0 110.808 172.203 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.526 ' O ' HG13 ' A' ' 41' ' ' ILE . 24.5 mmt180 -57.86 -51.67 68.65 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.995 169.294 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -81.18 16.48 1.55 Allowed 'General case' 0 CA--C 1.55 0.952 0 N-CA-C 115.665 1.728 . . . . 0.0 115.665 170.995 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -78.54 -48.34 15.44 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 118.21 -2.806 . . . . 0.0 112.56 141.274 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.52 HH21 ' NE ' ' A' ' 37' ' ' ARG . 22.5 ptt-85 -80.32 -4.3 52.89 Favored 'General case' 0 CA--C 1.556 1.186 0 N-CA-C 116.818 2.155 . . . . 0.0 116.818 178.636 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.526 HG13 ' O ' ' A' ' 37' ' ' ARG 0.339 60.0 mt -71.79 83.85 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.968 0 CA-C-O 127.417 3.484 . . . . 0.0 112.803 170.957 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.38 14.09 1.05 Allowed 'General case' 0 CA--C 1.55 0.967 1 CA-C-N 108.188 -4.096 . . . . 0.0 117.043 -170.114 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 17.1 tt -68.64 -37.65 77.91 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.998 0 N-CA-C 114.867 1.432 . . . . 0.0 114.867 -172.693 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -179.94 136.13 2.66 Favored Glycine 0 CA--C 1.544 1.866 0 CA-C-O 115.644 -2.754 . . . . 0.0 114.05 177.105 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_exo -48.96 -55.37 4.21 Favored 'Trans proline' 0 C--N 1.362 1.243 2 C-N-CA 125.712 4.275 . . . . 0.0 118.047 -172.251 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -66.63 -30.95 71.35 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 113.389 0.885 . . . . 0.0 113.389 176.414 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 2.0 t -66.86 -60.71 2.42 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-O 115.702 -2.094 . . . . 0.0 108.222 175.742 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -47.97 -42.74 10.35 Favored 'Isoleucine or valine' 0 C--N 1.358 0.973 0 CA-C-N 122.55 2.432 . . . . 0.0 115.337 168.67 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 52.4 tttt -52.97 -61.5 2.26 Favored 'General case' 0 CA--C 1.554 1.115 0 CA-C-N 122.053 2.206 . . . . 0.0 113.378 173.948 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.33 -52.56 63.07 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 123.907 0.883 . . . . 0.0 111.653 175.792 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.424 ' HE2' HD12 ' A' ' 41' ' ' ILE . 71.7 t80 -58.89 -45.94 89.05 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.801 1.24 . . . . 0.0 114.002 178.311 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 15.8 ttmm -63.8 -42.77 97.65 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 120.434 1.47 . . . . 0.0 111.427 179.276 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -67.16 -43.32 82.54 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 176.949 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 10.0 m -64.67 -33.57 76.25 Favored 'General case' 0 CA--C 1.553 1.082 0 N-CA-C 114.934 1.457 . . . . 0.0 114.934 167.071 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.53 -41.25 94.06 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 120.713 1.597 . . . . 0.0 111.535 168.929 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -54.7 -46.62 74.19 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-O 117.947 -1.025 . . . . 0.0 112.795 166.57 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 29.9 mm -57.13 -48.79 81.4 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 CA-C-N 120.263 1.392 . . . . 0.0 113.619 169.454 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.19 -47.07 75.77 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 173.823 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -65.38 -38.05 88.86 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.271 1.028 . . . . 0.0 113.261 173.446 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -65.05 -46.51 80.95 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 119.15 0.886 . . . . 0.0 112.503 173.481 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 82.0 t -62.78 -38.08 80.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 CA-C-N 119.371 0.987 . . . . 0.0 112.366 173.834 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 39.1 ttm-85 -60.54 -39.52 88.21 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 113.404 0.89 . . . . 0.0 113.404 172.13 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.95 -52.23 9.76 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 113.737 1.014 . . . . 0.0 113.737 172.32 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 . . . . . 0 CA--C 1.55 0.972 0 CA-C-O 123.618 1.675 . . . . 0.0 112.243 -177.488 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 78.6 mt . . . . . 0 N--CA 1.476 0.869 0 CA-C-O 118.631 -0.7 . . . . 0.0 111.257 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -70.05 -34.62 73.45 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-O 116.896 -1.526 . . . . 0.0 113.348 178.092 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -66.37 -46.33 77.07 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 122.764 2.529 . . . . 0.0 113.913 174.788 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -106.54 27.49 8.76 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 123.139 2.699 . . . . 0.0 113.466 173.318 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.83 -63.31 1.41 Allowed 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 119.188 3.032 . . . . 0.0 119.188 114.52 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.34 -45.93 74.93 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 117.268 2.321 . . . . 0.0 117.268 -167.199 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.8 ttpm? -81.87 52.62 1.98 Allowed 'General case' 0 CA--C 1.554 1.122 0 CA-C-O 124.155 1.931 . . . . 0.0 113.449 -169.672 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -124.15 -131.95 0.26 Allowed 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 126.479 1.912 . . . . 0.0 106.824 162.776 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -98.52 46.45 1.0 Allowed 'General case' 0 CA--C 1.548 0.903 0 O-C-N 119.762 -1.836 . . . . 0.0 110.536 152.962 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . 0.363 6.0 p90 31.27 -76.41 0.0 OUTLIER 'General case' 0 CA--C 1.549 0.919 0 N-CA-C 118.614 2.82 . . . . 0.0 118.614 -167.43 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.58 -60.79 3.02 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 118.094 2.627 . . . . 0.0 118.094 -144.427 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 38.2 ttp -70.7 -29.34 65.62 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-O 122.318 1.056 . . . . 0.0 112.603 -176.342 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 55.9 mt -85.51 -49.86 7.73 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.994 -174.892 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 44.3 tttp -36.74 -46.85 0.63 Allowed 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 117.909 2.559 . . . . 0.0 117.909 148.497 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.85 -40.46 92.98 Favored 'General case' 0 CA--C 1.553 1.077 0 CA-C-N 122.687 2.494 . . . . 0.0 111.617 171.444 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 35.6 m -62.03 -35.89 79.92 Favored 'General case' 0 CA--C 1.548 0.881 0 CA-C-N 121.173 1.806 . . . . 0.0 114.85 168.44 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -49.15 -48.35 44.94 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 119.163 0.892 . . . . 0.0 111.04 162.073 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.278 6.0 m-30 -75.94 -27.79 57.72 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 114.183 1.179 . . . . 0.0 114.183 -174.732 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -57.97 -40.78 81.47 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 159.988 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.72 -50.83 51.62 Favored Glycine 0 CA--C 1.533 1.207 0 N-CA-C 115.138 0.815 . . . . 0.0 115.138 170.649 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.45 -37.36 72.72 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.07 1.348 . . . . 0.0 113.862 178.974 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -70.58 76.94 0.58 Allowed 'General case' 0 CA--C 1.548 0.894 0 CA-C-O 122.162 0.982 . . . . 0.0 111.086 161.804 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.5 108.69 2.49 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-O 121.986 0.898 . . . . 0.0 112.144 173.83 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 54.7 m-80 -100.82 -93.89 0.28 Allowed 'General case' 0 CA--C 1.547 0.83 0 O-C-N 121.732 -0.605 . . . . 0.0 112.385 179.436 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -62.47 -57.57 10.75 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 116.412 2.004 . . . . 0.0 116.412 -160.959 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -153.67 167.04 30.91 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-O 122.205 1.002 . . . . 0.0 113.033 -170.791 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.39 -24.19 67.24 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 115.936 1.828 . . . . 0.0 115.936 179.558 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 86.5 m -88.33 92.0 9.0 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 120.158 1.344 . . . . 0.0 110.012 -175.268 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 76.0 m -55.58 -38.5 69.48 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 114.673 1.36 . . . . 0.0 114.673 -175.0 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -71.13 -9.11 57.51 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 175.736 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -74.77 -56.13 5.11 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 122.068 2.213 . . . . 0.0 109.888 167.016 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.574 ' O ' HD12 ' A' ' 41' ' ' ILE . 32.1 mtm180 -53.1 -49.32 66.7 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 114.553 -1.203 . . . . 0.0 111.225 171.587 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -95.21 16.72 15.84 Favored 'General case' 0 CA--C 1.551 1.003 0 N-CA-C 116.941 2.2 . . . . 0.0 116.941 177.622 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.51 -38.13 65.44 Favored 'General case' 0 CA--C 1.54 0.562 0 O-C-N 119.387 -2.071 . . . . 0.0 111.765 140.644 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 21.6 mmt180 -69.43 -47.68 63.33 Favored 'General case' 0 CA--C 1.553 1.093 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 173.315 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.574 HD12 ' O ' ' A' ' 37' ' ' ARG . 3.5 mp -70.05 87.91 0.25 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.841 0 CA-C-O 127.222 3.391 . . . . 0.0 112.381 164.581 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.63 2.65 55.69 Favored 'General case' 0 CA--C 1.547 0.83 1 CA-C-N 106.694 -4.775 . . . . 0.0 116.218 -171.603 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 76.3 mt -62.23 -42.87 96.95 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.856 0 N-CA-C 114.595 1.331 . . . . 0.0 114.595 -162.644 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -176.87 160.91 28.42 Favored Glycine 0 CA--C 1.544 1.859 0 CA-C-O 117.651 -1.638 . . . . 0.0 115.609 174.795 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -50.93 -46.82 28.54 Favored 'Trans proline' 0 C--N 1.362 1.261 1 C-N-CA 125.385 4.057 . . . . 0.0 116.158 178.471 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -69.91 -27.04 64.45 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 113.178 0.807 . . . . 0.0 113.178 175.431 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.62 -54.2 17.94 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-O 117.589 -1.196 . . . . 0.0 111.125 171.736 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -49.01 -43.42 15.13 Favored 'Isoleucine or valine' 0 C--N 1.352 0.675 0 CA-C-N 120.308 1.413 . . . . 0.0 114.521 167.076 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.7 tttm -60.82 -52.3 65.67 Favored 'General case' 0 CA--C 1.552 1.048 0 N-CA-C 114.351 1.241 . . . . 0.0 114.351 175.416 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.56 -46.4 80.74 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 119.399 0.999 . . . . 0.0 111.467 171.387 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.571 ' CE2' HD13 ' A' ' 41' ' ' ILE . 4.2 t80 -53.87 -59.33 4.77 Favored 'General case' 0 C--N 1.349 0.544 0 C-N-CA 124.587 1.155 . . . . 0.0 111.472 174.884 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.11 -33.06 74.91 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 113.676 0.991 . . . . 0.0 113.676 -177.116 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -64.73 -57.14 9.78 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 120.297 1.408 . . . . 0.0 111.106 172.735 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.7 m -58.5 -42.09 86.86 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 114.415 1.265 . . . . 0.0 114.415 174.688 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 42.7 t -64.19 -39.37 93.84 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 120.047 1.294 . . . . 0.0 113.562 175.671 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -57.38 -51.41 69.52 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 119.939 1.245 . . . . 0.0 112.08 167.843 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 6.6 mt -65.94 -36.09 76.66 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.897 0 N-CA-C 113.056 0.762 . . . . 0.0 113.056 177.986 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.04 -46.64 82.25 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 167.867 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -65.59 -35.83 81.98 Favored 'General case' 0 CA--C 1.547 0.854 0 CA-C-N 119.607 1.094 . . . . 0.0 113.521 171.468 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -58.83 -45.18 90.61 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.058 0.943 . . . . 0.0 112.415 167.741 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 82.8 t -60.58 -43.93 95.67 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.782 0 CA-C-N 119.135 0.88 . . . . 0.0 112.589 170.22 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 26.0 mmt85 -61.53 -33.15 73.34 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 120.486 1.494 . . . . 0.0 114.337 171.568 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.86 -33.64 74.13 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 113.857 1.058 . . . . 0.0 113.857 168.073 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 . . . . . 0 CA--C 1.545 0.774 0 O-C-N 121.358 -0.839 . . . . 0.0 113.122 169.944 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 81.9 mt . . . . . 0 N--CA 1.474 0.741 0 CA-C-O 118.896 -0.573 . . . . 0.0 111.388 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -62.94 -48.05 80.58 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-O 117.402 -1.285 . . . . 0.0 113.829 172.814 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -54.74 -45.27 74.11 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 115.342 1.608 . . . . 0.0 115.342 179.371 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -138.7 46.93 1.97 Allowed 'General case' 0 N--CA 1.472 0.661 0 CA-C-O 124.532 2.11 . . . . 0.0 111.54 -177.678 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.34 -59.66 4.67 Favored 'General case' 0 CA--C 1.548 0.872 1 N-CA-C 122.605 4.298 . . . . 0.0 122.605 85.556 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.97 -49.41 70.4 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 123.267 2.758 . . . . 0.0 118.049 -168.724 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -68.11 38.3 0.03 OUTLIER 'General case' 0 CA--C 1.556 1.194 0 N-CA-C 116.604 2.075 . . . . 0.0 116.604 -172.72 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -117.91 -131.16 0.31 Allowed 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 126.031 1.733 . . . . 0.0 107.759 170.189 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -99.04 40.72 1.18 Allowed 'General case' 0 CA--C 1.548 0.878 0 O-C-N 119.758 -1.839 . . . . 0.0 111.071 155.533 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 53.94 -86.14 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 126.206 1.802 . . . . 0.0 113.996 -174.345 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.84 -60.67 3.3 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 117.85 2.537 . . . . 0.0 117.85 -143.251 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 34.1 ttm -68.65 -36.19 78.25 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.563 0.745 . . . . 0.0 112.504 -175.35 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -75.12 -51.81 12.53 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 124.551 1.14 . . . . 0.0 111.226 -179.321 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 50.1 tttp -39.9 -47.18 2.14 Favored 'General case' 0 CA--C 1.549 0.912 0 N-CA-C 117.61 2.448 . . . . 0.0 117.61 154.406 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.5 tmtm? -59.34 -40.35 86.08 Favored 'General case' 0 CA--C 1.551 0.998 0 CA-C-N 122.16 2.254 . . . . 0.0 112.568 170.905 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 61.3 m -63.08 -36.97 85.34 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 120.946 1.703 . . . . 0.0 114.468 169.014 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -48.99 -47.64 44.09 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.892 0.877 . . . . 0.0 111.613 162.909 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.283 6.6 m-30 -76.2 -29.59 57.69 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 114.077 1.14 . . . . 0.0 114.077 -174.553 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -57.48 -40.54 78.82 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 112.767 0.654 . . . . 0.0 112.767 160.553 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.24 -50.41 56.67 Favored Glycine 0 CA--C 1.533 1.195 0 N-CA-C 115.242 0.857 . . . . 0.0 115.242 170.005 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.96 -37.35 71.44 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.86 1.264 . . . . 0.0 114.218 179.397 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 70.5 m-85 -71.03 75.42 0.65 Allowed 'General case' 0 CA--C 1.551 1.005 0 CA-C-O 122.095 0.95 . . . . 0.0 112.306 165.426 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.3 tpm_? -71.15 108.99 4.93 Favored 'General case' 0 CA--C 1.551 1.008 0 O-C-N 120.738 -1.227 . . . . 0.0 113.929 173.335 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.4 p-10 -83.08 102.45 11.82 Favored 'General case' 0 CA--C 1.547 0.837 0 O-C-N 120.484 -1.385 . . . . 0.0 111.472 168.099 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -69.34 61.47 0.13 Allowed 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 125.685 1.594 . . . . 0.0 115.218 -173.017 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -137.98 -68.94 0.45 Allowed 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 114.812 -1.086 . . . . 0.0 113.161 177.5 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -74.46 -173.66 1.81 Allowed 'General case' 0 CA--C 1.555 1.147 0 N-CA-C 115.461 1.652 . . . . 0.0 115.461 173.334 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 66.6 p -99.6 148.06 24.71 Favored 'General case' 0 N--CA 1.475 0.808 0 O-C-N 119.554 -1.966 . . . . 0.0 112.96 174.088 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 52.5 t -62.46 -48.72 78.42 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 114.247 1.203 . . . . 0.0 114.247 -173.869 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.3 mp0 -66.89 -32.39 73.61 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.128 0.971 . . . . 0.0 113.471 179.861 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -62.61 -50.78 69.88 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.078 1.351 . . . . 0.0 112.185 169.211 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.592 ' O ' HD12 ' A' ' 41' ' ' ILE . 19.3 ttp180 -54.86 -52.98 61.1 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 114.683 -1.144 . . . . 0.0 111.129 172.937 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -81.12 -2.66 49.25 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 117.28 2.326 . . . . 0.0 117.28 176.095 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.19 -36.36 81.59 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 119.615 -1.928 . . . . 0.0 112.266 152.535 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 49.3 mtt85 -70.52 -38.45 74.25 Favored 'General case' 0 CA--C 1.551 1.019 0 N-CA-C 113.58 0.956 . . . . 0.0 113.58 169.037 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.592 HD12 ' O ' ' A' ' 37' ' ' ARG 0.313 3.4 mp -73.23 84.89 0.46 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.938 0 CA-C-O 127.184 3.373 . . . . 0.0 113.934 170.582 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 32.3 mmtm -92.47 14.71 15.9 Favored 'General case' 0 CA--C 1.547 0.832 1 CA-C-N 107.162 -4.563 . . . . 0.0 116.172 -175.974 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 83.2 mt -65.26 -42.11 93.15 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.933 0 CA-C-N 119.916 1.235 . . . . 0.0 113.695 -171.177 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -178.03 159.94 25.92 Favored Glycine 0 CA--C 1.545 1.957 0 CA-C-O 117.349 -1.806 . . . . 0.0 114.983 173.856 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_exo -51.64 -49.87 15.81 Favored 'Trans proline' 0 C--N 1.361 1.185 0 C-N-CA 125.213 3.942 . . . . 0.0 116.245 179.378 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -68.39 -24.61 64.79 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 113.639 0.978 . . . . 0.0 113.639 174.986 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -71.2 -53.74 13.39 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 117.629 -1.177 . . . . 0.0 110.852 172.966 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -51.0 -40.27 20.54 Favored 'Isoleucine or valine' 0 C--N 1.352 0.692 0 CA-C-N 120.68 1.582 . . . . 0.0 114.494 167.176 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.0 tttm -63.39 -49.81 72.34 Favored 'General case' 0 CA--C 1.555 1.168 0 N-CA-C 114.455 1.28 . . . . 0.0 114.455 173.607 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.28 -44.99 84.48 Favored 'General case' 0 N--CA 1.481 1.075 0 CA-C-N 120.921 1.691 . . . . 0.0 111.152 170.496 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.575 ' CE2' HD13 ' A' ' 41' ' ' ILE . 3.4 t80 -53.61 -60.24 3.57 Favored 'General case' 0 C--N 1.349 0.56 0 C-N-CA 124.53 1.132 . . . . 0.0 111.414 174.087 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -59.49 -40.95 88.68 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 119.482 1.037 . . . . 0.0 113.349 -178.864 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.421 ' O ' HG12 ' A' ' 57' ' ' ILE . 15.2 t70 -60.89 -55.63 30.77 Favored 'General case' 0 CA--C 1.549 0.918 0 CA-C-N 119.938 1.244 . . . . 0.0 112.239 176.226 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.9 m -58.8 -44.93 90.91 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 171.869 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 12.3 t -61.85 -40.38 95.12 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 119.956 1.253 . . . . 0.0 112.82 177.464 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -60.37 -49.97 75.48 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-O 117.499 -1.239 . . . . 0.0 112.289 169.248 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.421 HG12 ' O ' ' A' ' 53' ' ' ASP . 14.5 mm -59.8 -46.38 93.72 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 CA-C-N 120.671 1.578 . . . . 0.0 111.894 176.755 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.65 -50.55 71.74 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.346 1.058 . . . . 0.0 113.472 173.678 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -64.93 -35.95 82.81 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 119.347 0.976 . . . . 0.0 113.285 177.344 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 29.6 tp60 -66.87 -46.55 74.62 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 119.515 1.052 . . . . 0.0 111.946 172.717 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 71.1 t -64.22 -43.22 97.25 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.722 0 O-C-N 121.438 -0.789 . . . . 0.0 112.631 173.976 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 28.2 mmm180 -67.14 -27.21 67.12 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 120.487 1.494 . . . . 0.0 114.822 173.949 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.85 -54.84 11.69 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 120.188 1.358 . . . . 0.0 112.653 164.741 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 . . . . . 0 CA--C 1.55 0.959 0 CA-C-O 122.994 1.378 . . . . 0.0 114.579 -179.216 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.3 mp . . . . . 0 C--O 1.224 -0.259 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.929 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -63.63 -42.68 98.13 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 123.129 2.695 . . . . 0.0 114.379 169.387 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -55.12 -41.33 71.56 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.782 1.233 . . . . 0.0 114.053 175.855 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -143.97 56.7 1.33 Allowed 'General case' 0 N--CA 1.472 0.665 0 CA-C-O 125.053 2.359 . . . . 0.0 111.491 175.684 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.54 -51.32 70.39 Favored 'General case' 0 CA--C 1.549 0.917 1 N-CA-C 121.858 4.022 . . . . 0.0 121.858 81.165 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.31 -46.64 66.64 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 117.925 2.565 . . . . 0.0 117.925 -173.7 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 30.6 ttmt -51.99 -3.05 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.124 0 N-CA-C 118.615 2.82 . . . . 0.0 118.615 -174.786 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -92.76 -109.9 0.11 Allowed 'General case' 0 CA--C 1.551 0.991 0 O-C-N 119.538 -1.976 . . . . 0.0 109.784 -177.171 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -107.33 43.19 1.2 Allowed 'General case' 0 CA--C 1.547 0.848 0 O-C-N 118.726 -2.484 . . . . 0.0 111.554 160.591 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 56.4 -94.86 0.05 OUTLIER 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 126.124 1.77 . . . . 0.0 114.734 179.056 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.37 -53.63 22.69 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 116.248 1.944 . . . . 0.0 116.248 -155.0 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 35.4 ttm -70.09 -34.11 72.73 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.589 0.756 . . . . 0.0 112.244 -176.81 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -78.42 -45.27 22.7 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.04 0.936 . . . . 0.0 112.599 178.322 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 51.3 tttp -44.16 -43.66 7.22 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 117.432 2.382 . . . . 0.0 117.432 151.823 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.0 tptp -63.77 -33.53 75.87 Favored 'General case' 0 CA--C 1.558 1.267 0 CA-C-N 122.427 2.376 . . . . 0.0 113.321 170.257 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 63.1 m -59.22 -42.42 90.95 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 121.25 1.841 . . . . 0.0 114.206 166.019 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.6 t -48.8 -51.57 28.61 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.814 0.846 . . . . 0.0 110.683 164.285 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.303 5.6 m-30 -73.86 -21.42 60.1 Favored 'General case' 0 CA--C 1.551 1.014 0 N-CA-C 114.314 1.227 . . . . 0.0 114.314 -174.658 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -60.47 -42.68 96.71 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.448 0.699 . . . . 0.0 112.882 158.334 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.28 -47.49 84.17 Favored Glycine 0 CA--C 1.535 1.3 0 N-CA-C 115.219 0.847 . . . . 0.0 115.219 170.109 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.29 -36.46 80.12 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 177.977 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -67.89 93.21 0.39 Allowed 'General case' 0 CA--C 1.55 0.971 0 CA-C-N 119.162 0.892 . . . . 0.0 110.872 163.45 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 66.8 ttt180 -127.61 130.95 49.89 Favored 'General case' 0 CA--C 1.546 0.803 0 O-C-N 120.747 -1.221 . . . . 0.0 113.572 169.109 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 15.1 p30 -98.79 171.6 7.98 Favored 'General case' 0 CA--C 1.552 1.026 0 O-C-N 121.069 -1.019 . . . . 0.0 112.771 162.215 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -59.2 -24.58 63.24 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 116.121 1.897 . . . . 0.0 116.121 -174.165 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -84.26 -27.57 27.8 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 113.909 1.077 . . . . 0.0 113.909 179.692 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -71.15 135.02 47.4 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 114.844 1.424 . . . . 0.0 114.844 -177.394 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 80.4 m -115.26 130.69 56.98 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 120.823 -1.173 . . . . 0.0 110.715 173.225 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 93.0 m -55.12 -59.05 5.29 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 115.588 1.699 . . . . 0.0 115.588 -161.78 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -79.27 -15.01 58.65 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 114.319 1.229 . . . . 0.0 114.319 -178.404 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -67.64 -58.16 5.16 Favored 'General case' 0 C--O 1.242 0.689 0 CA-C-N 119.511 1.051 . . . . 0.0 110.533 167.12 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.62 ' O ' HD12 ' A' ' 41' ' ' ILE . 28.7 ptt180 -66.91 -37.61 84.68 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 117.492 -1.242 . . . . 0.0 111.839 176.568 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . 0.259 . . -89.65 11.03 20.97 Favored 'General case' 0 CA--C 1.55 0.969 0 CA-C-N 122.29 2.313 . . . . 0.0 116.636 172.339 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.13 -41.6 63.8 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 119.228 -2.17 . . . . 0.0 111.769 142.263 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 36.1 ttp-105 -69.45 -40.5 77.15 Favored 'General case' 0 CA--C 1.556 1.211 0 N-CA-C 114.01 1.115 . . . . 0.0 114.01 172.686 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.62 HD12 ' O ' ' A' ' 37' ' ' ARG . 3.3 mp -72.83 83.73 0.41 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.839 0 CA-C-O 127.021 3.296 . . . . 0.0 112.011 160.896 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -100.43 19.14 17.31 Favored 'General case' 0 CA--C 1.548 0.884 1 CA-C-N 107.442 -4.435 . . . . 0.0 115.225 -174.817 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 81.0 mt -66.11 -41.13 88.89 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.866 0 C-N-CA 124.095 0.958 . . . . 0.0 113.492 -171.292 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -174.14 158.97 28.02 Favored Glycine 0 CA--C 1.544 1.899 0 CA-C-O 117.617 -1.657 . . . . 0.0 115.402 174.825 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -51.31 -46.1 33.3 Favored 'Trans proline' 0 C--N 1.361 1.202 0 C-N-CA 125.297 3.998 . . . . 0.0 116.068 176.924 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 57.9 mtmt -67.7 -28.54 67.76 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.946 0.898 . . . . 0.0 113.042 175.314 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 47.2 t -70.23 -54.62 11.98 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-O 117.188 -1.386 . . . . 0.0 110.852 173.684 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -49.94 -42.46 18.88 Favored 'Isoleucine or valine' 0 C--N 1.352 0.683 0 CA-C-N 120.605 1.548 . . . . 0.0 114.65 167.907 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 32.5 tttm -62.74 -52.56 62.75 Favored 'General case' 0 CA--C 1.551 0.986 0 CA-C-O 117.441 -1.266 . . . . 0.0 113.72 173.133 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.22 -44.11 75.12 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 121.192 1.815 . . . . 0.0 111.162 173.334 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.562 ' CE2' HD13 ' A' ' 41' ' ' ILE . 3.2 t80 -55.13 -55.02 35.82 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.719 1.208 . . . . 0.0 112.22 172.956 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 18.4 tppt? -63.75 -39.94 95.49 Favored 'General case' 0 CA--C 1.55 0.961 0 CA-C-N 119.685 1.13 . . . . 0.0 113.793 179.03 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -53.95 -57.44 11.0 Favored 'General case' 0 CA--C 1.554 1.123 0 CA-C-N 120.466 1.485 . . . . 0.0 112.798 170.465 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 5.9 m -61.18 -34.34 74.9 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 115.702 1.741 . . . . 0.0 115.702 170.973 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -66.55 -34.27 77.53 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 121.065 1.757 . . . . 0.0 112.322 171.596 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -58.84 -47.07 86.15 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-O 116.576 -1.678 . . . . 0.0 112.852 164.239 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.481 1.9 pp -70.54 -28.27 34.12 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 CA-C-N 122.987 2.63 . . . . 0.0 115.353 171.75 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.73 -42.78 84.57 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 121.646 2.021 . . . . 0.0 112.549 168.032 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -62.24 -46.51 88.51 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 113.335 0.865 . . . . 0.0 113.335 168.381 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -59.78 -46.72 88.3 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 119.379 0.99 . . . . 0.0 112.914 174.48 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 71.5 t -62.79 -42.46 96.4 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.637 0 CA-C-O 117.966 -1.016 . . . . 0.0 112.35 173.833 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 25.3 tpt85 -69.24 -31.37 69.88 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-N 121.199 1.818 . . . . 0.0 114.194 174.665 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.88 -33.57 74.98 Favored 'General case' 0 CA--C 1.547 0.858 0 O-C-N 120.165 -1.584 . . . . 0.0 113.677 167.597 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 . . . . . 0 CA--C 1.548 0.884 0 C-N-CA 124.593 1.157 . . . . 0.0 113.165 171.991 . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 5.8 mt . . . . . 0 N--CA 1.481 1.093 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -60.13 -62.37 1.92 Allowed 'General case' 0 CA--C 1.543 0.682 0 CA-C-O 117.683 -1.151 . . . . 0.0 111.99 170.95 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -71.95 -23.19 61.41 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 122.494 2.406 . . . . 0.0 115.714 -176.034 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -95.78 -24.47 16.47 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 121.004 1.729 . . . . 0.0 113.527 175.4 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -107.73 21.89 16.76 Favored 'General case' 0 CA--C 1.555 1.137 0 N-CA-C 121.723 3.971 . . . . 0.0 121.723 160.195 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.92 21.65 0.0 OUTLIER 'General case' 0 CA--C 1.558 1.273 0 N-CA-C 121.168 3.766 . . . . 0.0 121.168 -178.934 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 80.0 tttt 51.98 57.01 6.96 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 126.81 2.044 . . . . 0.0 111.776 -173.383 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.1 p90 -125.97 -137.77 0.27 Allowed 'General case' 0 CA--C 1.551 0.996 0 CA-C-N 113.876 -1.511 . . . . 0.0 111.651 -159.184 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -76.14 -52.94 9.05 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.998 1.319 . . . . 0.0 112.857 -177.189 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -89.69 69.48 7.72 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-O 123.986 1.85 . . . . 0.0 112.302 -172.844 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.52 -39.32 90.6 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 111.46 -2.609 . . . . 0.0 115.182 -178.987 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 46.4 ttp -67.84 -31.81 71.9 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 123.891 0.876 . . . . 0.0 112.735 175.666 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -80.11 -40.22 27.96 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.449 1.1 . . . . 0.0 112.825 177.554 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 46.0 tttp -49.08 -43.53 41.16 Favored 'General case' 0 CA--C 1.552 1.024 0 N-CA-C 114.61 1.337 . . . . 0.0 114.61 153.619 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -66.99 -25.59 66.39 Favored 'General case' 0 CA--C 1.56 1.329 0 O-C-N 119.493 -2.004 . . . . 0.0 112.859 171.73 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 56.7 m -62.64 -41.37 99.0 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 121.39 1.905 . . . . 0.0 114.51 161.436 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -48.08 -49.98 29.77 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 118.748 0.703 . . . . 0.0 110.654 162.115 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.318 4.1 m-30 -76.34 -17.87 59.19 Favored 'General case' 0 CA--C 1.551 1.018 0 N-CA-C 114.656 1.354 . . . . 0.0 114.656 -176.024 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -61.09 -45.36 95.02 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-N 119.992 1.269 . . . . 0.0 113.203 154.864 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.76 -45.42 94.89 Favored Glycine 0 CA--C 1.534 1.249 0 CA-C-O 119.284 -0.731 . . . . 0.0 114.217 171.809 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.59 -46.08 84.23 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 113.746 1.017 . . . . 0.0 113.746 173.7 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 23.3 t80 -77.49 73.97 4.06 Favored 'General case' 0 CA--C 1.552 1.022 0 CA-C-O 123.863 1.792 . . . . 0.0 111.123 172.4 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 21.0 ttt-85 -74.46 123.01 23.93 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 113.48 -1.691 . . . . 0.0 114.278 -178.4 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -148.52 -73.06 0.19 Allowed 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 115.709 1.744 . . . . 0.0 115.709 -175.196 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -67.06 0.33 2.69 Favored 'General case' 0 CA--C 1.553 1.063 0 N-CA-C 118.88 2.919 . . . . 0.0 118.88 -166.249 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -161.48 152.76 18.62 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 121.346 1.885 . . . . 0.0 112.809 173.905 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -69.01 -36.02 77.33 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 114.121 1.156 . . . . 0.0 114.121 168.311 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 12.1 t -113.33 137.34 51.64 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 123.1 2.682 . . . . 0.0 114.021 -177.099 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 84.2 m -63.71 -47.68 80.16 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 115.676 1.732 . . . . 0.0 115.676 -166.066 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.28 -28.11 61.05 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-O 117.811 -1.09 . . . . 0.0 113.827 -175.506 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.36 -45.48 69.26 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 121.528 1.967 . . . . 0.0 110.471 170.154 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.579 ' O ' HD12 ' A' ' 41' ' ' ILE . 34.0 ttt180 -53.61 -53.8 46.63 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.97 0.908 . . . . 0.0 111.261 171.14 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -85.9 6.13 29.79 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 116.994 2.22 . . . . 0.0 116.994 175.824 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.35 -32.2 64.39 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 119.519 -1.988 . . . . 0.0 112.663 149.073 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 63.4 mtt180 -67.95 -42.4 81.02 Favored 'General case' 0 CA--C 1.55 0.969 0 CA-C-N 118.988 0.813 . . . . 0.0 111.993 167.583 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.579 HD12 ' O ' ' A' ' 37' ' ' ARG 0.277 3.4 mp -76.81 85.17 0.79 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.913 0 CA-C-O 126.944 3.259 . . . . 0.0 113.538 170.467 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 60.0 mtpt -84.5 0.66 48.96 Favored 'General case' 0 CA--C 1.545 0.765 1 CA-C-N 107.549 -4.387 . . . . 0.0 116.631 -173.284 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 75.2 mt -63.36 -41.57 93.21 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.921 0 N-CA-C 114.719 1.377 . . . . 0.0 114.719 -163.698 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 177.78 168.5 37.47 Favored Glycine 0 CA--C 1.546 1.986 0 CA-C-N 120.801 1.637 . . . . 0.0 116.628 174.389 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_exo -51.86 -52.55 8.72 Favored 'Trans proline' 0 C--N 1.363 1.315 1 C-N-CA 125.323 4.015 . . . . 0.0 115.862 176.404 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 14.0 mmmt -54.98 -35.8 64.71 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.58 1.152 . . . . 0.0 113.717 171.274 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 45.1 t -67.17 -59.98 2.99 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 116.569 -1.681 . . . . 0.0 110.804 177.058 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -48.59 -43.39 13.36 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 CA-C-N 120.944 1.702 . . . . 0.0 115.512 171.14 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.7 mtpm? -60.18 -57.09 14.29 Favored 'General case' 0 CA--C 1.552 1.031 0 N-CA-C 115.256 1.576 . . . . 0.0 115.256 174.414 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.21 -46.84 72.57 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 124.033 0.933 . . . . 0.0 110.626 172.405 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.577 ' CE2' HD13 ' A' ' 41' ' ' ILE . 3.4 t80 -54.73 -54.36 42.88 Favored 'General case' 0 C--N 1.349 0.582 0 C-N-CA 124.734 1.214 . . . . 0.0 112.124 174.464 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 8.0 tptp -61.84 -40.91 96.98 Favored 'General case' 0 C--O 1.242 0.693 0 N-CA-C 114.235 1.198 . . . . 0.0 114.235 -176.742 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -71.77 -41.32 68.51 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 114.289 1.218 . . . . 0.0 114.289 175.242 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 4.6 m -61.92 -35.02 77.16 Favored 'General case' 0 CA--C 1.549 0.923 0 N-CA-C 114.509 1.3 . . . . 0.0 114.509 166.484 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 5.7 t -63.78 -34.91 78.96 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 120.884 1.675 . . . . 0.0 112.469 171.16 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -59.08 -52.22 66.69 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-O 116.481 -1.723 . . . . 0.0 113.298 164.123 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.417 1.8 pp -69.1 -27.14 34.01 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 CA-C-N 122.93 2.605 . . . . 0.0 115.065 175.998 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.3 -47.64 84.64 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.826 0.85 . . . . 0.0 112.484 168.565 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 53.9 m-80 -63.61 -35.73 81.46 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 171.023 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -62.01 -52.68 63.0 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-O 117.294 -1.336 . . . . 0.0 113.414 169.539 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 33.6 m -68.2 -24.63 30.18 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 CA-C-N 121.862 2.119 . . . . 0.0 114.151 176.608 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 15.8 ttp85 -65.56 -43.47 89.76 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 119.614 1.097 . . . . 0.0 112.721 166.614 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -80.71 -52.39 7.6 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 114.636 1.347 . . . . 0.0 114.636 175.116 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 . . . . . 0 CA--C 1.549 0.912 0 CA-C-O 123.267 1.508 . . . . 0.0 112.816 -173.906 . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 5.2 mp . . . . . 0 N--CA 1.483 1.178 0 CA-C-O 118.815 -0.612 . . . . 0.0 110.358 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.3 tm-20 -57.83 -45.9 85.49 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-O 117.956 -1.021 . . . . 0.0 112.463 174.152 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -63.45 -44.88 93.22 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 122.257 2.299 . . . . 0.0 114.305 174.005 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.434 ' O ' ' HE1' ' A' ' 13' ' ' TYR . 7.0 mm-40 -73.18 -39.29 65.72 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 114.395 1.257 . . . . 0.0 114.395 177.221 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -106.12 43.42 1.14 Allowed 'General case' 0 CA--C 1.55 0.95 0 N-CA-C 119.692 3.219 . . . . 0.0 119.692 163.56 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.71 20.09 0.01 OUTLIER 'General case' 0 CA--C 1.557 1.234 0 N-CA-C 118.557 2.799 . . . . 0.0 118.557 168.141 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt 44.49 55.77 5.5 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 127.258 2.223 . . . . 0.0 113.97 -172.978 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.434 ' HE1' ' O ' ' A' ' 9' ' ' GLU . 1.7 p90 -122.25 -129.27 0.27 Allowed 'General case' 0 CA--C 1.551 0.998 0 CA-C-N 114.2 -1.363 . . . . 0.0 112.782 -156.157 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 34.0 mtpt -76.3 -52.76 9.32 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 120.404 -1.435 . . . . 0.0 112.555 -177.686 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 36.9 m-85 -89.94 72.39 7.47 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-O 123.546 1.641 . . . . 0.0 112.5 -167.72 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.96 -42.91 81.01 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 111.634 -2.53 . . . . 0.0 115.157 -178.178 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 34.8 ttm -68.81 -28.79 67.08 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.291 1.036 . . . . 0.0 112.651 176.027 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 45.3 mt -92.17 -35.4 13.87 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 121.164 -0.96 . . . . 0.0 111.788 -173.862 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.02 -30.04 68.89 Favored 'General case' 0 CA--C 1.552 1.024 0 O-C-N 119.785 -1.822 . . . . 0.0 114.328 153.341 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.3 tmtm? -65.73 -34.24 77.73 Favored 'General case' 0 CA--C 1.553 1.09 0 CA-C-N 122.632 2.469 . . . . 0.0 111.739 165.933 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 67.8 m -56.22 -41.01 74.96 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 121.471 1.942 . . . . 0.0 114.24 163.754 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -49.46 -53.2 24.29 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 118.618 0.644 . . . . 0.0 110.875 161.576 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.292 6.8 m-30 -74.29 -19.71 60.38 Favored 'General case' 0 CA--C 1.551 1.01 0 N-CA-C 114.783 1.401 . . . . 0.0 114.783 -174.903 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -61.11 -45.46 94.6 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.843 0.857 . . . . 0.0 112.582 157.02 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.24 -44.01 97.9 Favored Glycine 0 CA--C 1.534 1.262 0 C-N-CA 123.778 0.704 . . . . 0.0 114.77 171.269 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.03 -41.15 97.53 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 113.304 0.853 . . . . 0.0 113.304 173.948 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -71.56 76.02 0.8 Allowed 'General case' 0 CA--C 1.551 1.013 0 CA-C-O 123.568 1.651 . . . . 0.0 111.137 168.565 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -104.2 81.12 1.79 Allowed 'General case' 0 CA--C 1.544 0.72 0 CA-C-O 123.301 1.524 . . . . 0.0 110.401 173.248 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -125.56 -34.39 2.67 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 114.772 -1.103 . . . . 0.0 113.397 175.116 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.62 -67.56 0.37 Allowed 'General case' 0 CA--C 1.548 0.885 0 N-CA-C 115.537 1.68 . . . . 0.0 115.537 174.031 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -118.97 136.58 54.02 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 120.264 1.393 . . . . 0.0 111.643 177.663 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -60.54 -49.4 77.71 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 114.979 1.474 . . . . 0.0 114.979 176.322 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 25.6 m -81.25 109.52 15.86 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.498 0.719 . . . . 0.0 112.148 -175.52 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 66.8 m -56.04 -47.92 76.96 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.174 1.39 . . . . 0.0 114.711 -178.453 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -66.16 -31.05 71.67 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 113.814 1.042 . . . . 0.0 113.814 -178.397 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -66.66 -55.35 15.59 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 120.367 1.439 . . . . 0.0 110.546 175.777 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.633 ' O ' HD12 ' A' ' 41' ' ' ILE . 11.9 ptt180 -64.85 -39.26 93.27 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-O 118.249 -0.881 . . . . 0.0 111.824 177.352 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -84.58 1.47 45.82 Favored 'General case' 0 CA--C 1.548 0.882 0 N-CA-C 116.579 2.066 . . . . 0.0 116.579 172.986 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -72.95 -33.61 66.01 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 119.58 -1.95 . . . . 0.0 112.407 147.459 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 38.4 mtm105 -71.36 -40.44 70.63 Favored 'General case' 0 CA--C 1.553 1.089 0 N-CA-C 114.308 1.225 . . . . 0.0 114.308 168.165 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.633 HD12 ' O ' ' A' ' 37' ' ' ARG 0.293 3.3 mp -70.41 89.57 0.3 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.926 0 CA-C-O 126.464 3.031 . . . . 0.0 113.153 167.848 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -81.18 -17.33 50.09 Favored 'General case' 0 CA--C 1.542 0.647 1 CA-C-N 107.806 -4.27 . . . . 0.0 117.104 -174.804 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 69.2 mt -53.32 -41.29 43.29 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.94 0 N-CA-C 116.031 1.863 . . . . 0.0 116.031 -154.56 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -177.26 162.85 31.15 Favored Glycine 0 CA--C 1.544 1.882 0 CA-C-O 117.678 -1.623 . . . . 0.0 115.532 174.814 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_exo -52.31 -47.53 26.46 Favored 'Trans proline' 0 C--N 1.36 1.159 0 C-N-CA 125.202 3.934 . . . . 0.0 115.948 176.526 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 22.7 tptp -62.42 -34.3 76.48 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 124.989 1.316 . . . . 0.0 112.286 173.606 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 45.8 t -66.06 -59.01 4.21 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 117.736 -1.126 . . . . 0.0 111.41 174.144 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -53.21 -38.06 29.8 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 N-CA-C 115.248 1.573 . . . . 0.0 115.248 172.208 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.6 ttpp -62.42 -52.42 63.63 Favored 'General case' 0 CA--C 1.552 1.05 0 N-CA-C 114.279 1.214 . . . . 0.0 114.279 173.727 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.78 -48.6 69.63 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.637 1.175 . . . . 0.0 112.097 168.421 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.58 ' CE2' HD13 ' A' ' 41' ' ' ILE . 3.2 t80 -54.31 -53.57 52.0 Favored 'General case' 0 C--N 1.347 0.474 0 C-N-CA 124.763 1.225 . . . . 0.0 111.872 175.768 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.401 ' O ' ' HD1' ' A' ' 56' ' ' TYR . 12.6 mptt -60.5 -42.22 95.92 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 113.819 1.044 . . . . 0.0 113.819 178.333 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -61.57 -49.46 76.55 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 120.492 1.496 . . . . 0.0 113.574 175.308 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 16.4 m -65.36 -32.94 74.84 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 114.91 1.448 . . . . 0.0 114.91 171.828 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.04 -30.98 71.61 Favored 'General case' 0 CA--C 1.546 0.816 0 O-C-N 120.022 -1.674 . . . . 0.0 112.509 168.772 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.401 ' HD1' ' O ' ' A' ' 52' ' ' LYS . 22.6 m-85 -63.19 -43.4 98.29 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-O 115.727 -2.082 . . . . 0.0 113.753 163.759 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.473 2.2 pp -67.47 -29.46 45.62 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 CA-C-N 124.555 3.343 . . . . 0.0 114.796 169.451 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.69 -39.06 90.1 Favored 'General case' 0 CA--C 1.55 0.947 0 CA-C-N 120.229 1.377 . . . . 0.0 113.361 166.857 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 28.9 m-80 -67.73 -38.75 83.98 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 114.477 1.288 . . . . 0.0 114.477 166.782 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -61.0 -36.38 79.33 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 120.543 1.52 . . . . 0.0 113.239 169.147 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 91.1 t -64.36 -42.92 96.8 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.826 0 CA-C-N 120.729 1.604 . . . . 0.0 112.855 167.602 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 40.0 ttp180 -64.45 -44.37 91.32 Favored 'General case' 0 CA--C 1.55 0.945 0 N-CA-C 114.172 1.175 . . . . 0.0 114.172 172.796 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -98.05 -37.17 9.86 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 117.189 2.292 . . . . 0.0 117.189 -177.568 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 . . . . . 0 N--CA 1.473 0.723 0 CA-C-N 122.386 2.357 . . . . 0.0 114.601 -166.053 . . . . . . . . 0 0 . 1 . 040 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.6 mp . . . . . 0 N--CA 1.484 1.259 0 CA-C-O 119.052 -0.499 . . . . 0.0 109.92 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -56.84 -46.17 81.89 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 175.491 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -68.41 -43.97 76.06 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 120.497 1.499 . . . . 0.0 114.237 177.634 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.424 ' O ' ' HE1' ' A' ' 13' ' ' TYR . 65.7 mm-40 -78.67 -27.18 45.13 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 120.17 1.35 . . . . 0.0 113.446 176.374 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -104.9 25.4 10.51 Favored 'General case' 0 CA--C 1.553 1.067 0 N-CA-C 121.766 3.988 . . . . 0.0 121.766 162.669 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.23 17.56 0.0 OUTLIER 'General case' 0 CA--C 1.557 1.235 0 N-CA-C 120.823 3.638 . . . . 0.0 120.823 176.94 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? 51.18 56.23 8.29 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 126.812 2.045 . . . . 0.0 111.531 -173.831 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.424 ' HE1' ' O ' ' A' ' 9' ' ' GLU . 4.9 p90 -120.97 -141.44 0.34 Allowed 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 113.981 -1.463 . . . . 0.0 111.274 -159.64 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.1 tptp -76.34 -36.33 58.28 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 120.686 -1.259 . . . . 0.0 113.356 -176.271 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -106.74 72.36 0.9 Allowed 'General case' 0 CA--C 1.546 0.812 0 CA-C-O 124.425 2.06 . . . . 0.0 112.912 -175.012 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.67 -37.86 88.05 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 111.159 -2.746 . . . . 0.0 114.822 179.666 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.9 mpp? -67.17 -31.76 72.4 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 123.871 0.868 . . . . 0.0 113.114 175.146 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -78.73 -39.79 35.31 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.326 1.05 . . . . 0.0 112.671 176.634 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.2 tttt -51.56 -44.66 62.79 Favored 'General case' 0 CA--C 1.552 1.028 0 N-CA-C 114.943 1.46 . . . . 0.0 114.943 155.412 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.2 tmtm? -62.34 -31.3 71.91 Favored 'General case' 0 CA--C 1.552 1.03 0 O-C-N 119.725 -1.859 . . . . 0.0 111.825 170.759 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 12.8 t -63.01 -38.03 89.55 Favored 'General case' 0 CA--C 1.555 1.142 0 CA-C-N 120.896 1.68 . . . . 0.0 114.268 166.935 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.4 t -48.22 -51.99 22.96 Favored 'General case' 0 N--CA 1.481 1.102 0 CA-C-N 119.237 0.926 . . . . 0.0 110.476 159.933 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.296 5.9 m-30 -73.9 -22.97 59.51 Favored 'General case' 0 CA--C 1.55 0.965 0 N-CA-C 114.34 1.237 . . . . 0.0 114.34 -175.646 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -61.27 -35.17 76.57 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 113.509 0.929 . . . . 0.0 113.509 158.87 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.97 -41.98 53.48 Favored Glycine 0 CA--C 1.534 1.267 0 N-CA-C 115.372 0.909 . . . . 0.0 115.372 167.735 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.58 -40.95 96.47 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 114.22 1.193 . . . . 0.0 114.22 177.569 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -73.17 63.58 0.71 Allowed 'General case' 0 CA--C 1.55 0.953 0 CA-C-O 123.51 1.624 . . . . 0.0 113.366 172.757 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 64.4 ttt180 -100.41 127.8 46.65 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 114.296 -1.32 . . . . 0.0 111.177 177.313 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 17.2 m-80 -114.76 -112.21 0.34 Allowed 'General case' 0 CA--C 1.552 1.028 0 O-C-N 120.926 -1.109 . . . . 0.0 110.302 -178.924 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -76.19 31.12 0.12 Allowed 'General case' 0 CA--C 1.555 1.15 0 O-C-N 119.145 -2.222 . . . . 0.0 114.575 172.099 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -93.12 101.22 13.52 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 120.126 -1.608 . . . . 0.0 110.935 -171.997 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -64.34 -45.13 89.18 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 115.653 1.723 . . . . 0.0 115.653 -177.454 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 38.8 m -125.28 108.73 12.01 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 119.912 1.233 . . . . 0.0 111.773 -175.191 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 60.5 m -61.29 -44.27 97.5 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 114.635 1.346 . . . . 0.0 114.635 -176.868 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . 0.261 0.9 OUTLIER -73.89 -6.74 49.03 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 115.005 1.483 . . . . 0.0 115.005 178.941 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -78.69 -51.01 10.44 Favored 'General case' 0 CA--C 1.548 0.88 0 CA-C-N 121.277 1.853 . . . . 0.0 110.059 166.146 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.545 ' O ' HD12 ' A' ' 41' ' ' ILE . 45.4 ttt180 -55.94 -46.42 78.51 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 114.765 -1.107 . . . . 0.0 111.475 169.326 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . 0.258 . . -92.12 16.68 10.82 Favored 'General case' 0 CA--C 1.55 0.968 0 N-CA-C 116.964 2.209 . . . . 0.0 116.964 171.285 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -74.4 -38.97 62.96 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 118.939 -2.351 . . . . 0.0 112.152 140.31 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 78.3 mtt85 -68.23 -44.4 75.8 Favored 'General case' 0 CA--C 1.55 0.963 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 171.111 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.545 HD12 ' O ' ' A' ' 37' ' ' ARG . 3.4 mp -73.08 83.62 0.43 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.902 0 CA-C-O 127.055 3.312 . . . . 0.0 112.012 162.12 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 62.1 pttt -98.52 10.8 40.11 Favored 'General case' 0 CA--C 1.546 0.812 1 CA-C-N 107.45 -4.432 . . . . 0.0 115.635 -173.207 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 64.6 mt -66.46 -39.99 85.39 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.876 0 N-CA-C 114.087 1.143 . . . . 0.0 114.087 -165.656 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -173.96 166.81 39.09 Favored Glycine 0 CA--C 1.547 2.057 0 CA-C-N 120.69 1.586 . . . . 0.0 116.965 175.85 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_exo -53.69 -49.62 16.61 Favored 'Trans proline' 0 C--N 1.361 1.22 0 C-N-CA 125.248 3.965 . . . . 0.0 115.882 174.48 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.0 mtpp -59.62 -32.82 70.77 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 171.596 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 15.0 t -67.21 -61.04 2.11 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 116.899 -1.524 . . . . 0.0 109.905 176.375 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -49.74 -40.19 15.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 CA-C-N 121.066 1.757 . . . . 0.0 115.094 171.306 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -63.91 -55.25 24.01 Favored 'General case' 0 CA--C 1.548 0.885 0 CA-C-O 117.217 -1.373 . . . . 0.0 113.523 172.634 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.49 -47.08 63.34 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 120.979 1.718 . . . . 0.0 110.714 172.562 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.513 ' CE2' HD13 ' A' ' 41' ' ' ILE . 3.3 t80 -56.01 -54.71 41.58 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.112 1.365 . . . . 0.0 112.932 175.198 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 55.4 tptt -63.66 -36.83 85.13 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 118.979 0.808 . . . . 0.0 113.014 -179.666 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -65.28 -48.16 74.16 Favored 'General case' 0 CA--C 1.549 0.904 0 O-C-N 120.992 -1.067 . . . . 0.0 112.706 174.788 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 8.8 m -64.09 -31.24 72.36 Favored 'General case' 0 CA--C 1.55 0.957 0 N-CA-C 114.818 1.414 . . . . 0.0 114.818 169.938 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 53.2 t -58.16 -42.61 86.36 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 121.033 1.742 . . . . 0.0 112.395 163.786 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -58.41 -45.97 87.36 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-O 116.8 -1.571 . . . . 0.0 113.802 169.587 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.479 2.1 pp -69.81 -28.16 35.92 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 CA-C-N 123.015 2.643 . . . . 0.0 115.259 171.544 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.71 -39.85 86.0 Favored 'General case' 0 CA--C 1.551 0.999 0 CA-C-N 120.864 1.665 . . . . 0.0 113.274 167.218 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 -64.86 -41.72 95.45 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 113.647 0.98 . . . . 0.0 113.647 167.779 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 26.8 tp60 -62.48 -38.95 91.82 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 123.471 0.708 . . . . 0.0 112.905 174.528 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 78.6 t -61.79 -42.68 95.42 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.811 0 CA-C-N 118.858 0.753 . . . . 0.0 112.707 168.582 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 58.5 mtt85 -61.0 -36.29 79.1 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 114.619 1.34 . . . . 0.0 114.619 170.261 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.1 -58.44 3.56 Favored 'General case' 0 CA--C 1.546 0.821 0 CA-C-N 119.278 0.945 . . . . 0.0 113.29 169.544 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 . . . . . 0 CA--C 1.547 0.839 0 CA-C-O 123.238 1.494 . . . . 0.0 113.931 -177.164 . . . . . . . . 0 0 . 1 . 041 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.7 mp . . . . . 0 N--CA 1.481 1.102 0 CA-C-O 118.978 -0.534 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 041 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -57.43 -52.51 65.06 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-O 117.619 -1.181 . . . . 0.0 112.423 173.639 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.96 -16.04 63.14 Favored 'General case' 0 CA--C 1.55 0.96 0 CA-C-N 122.927 2.603 . . . . 0.0 115.262 177.152 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -89.97 -38.03 13.93 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 115.859 1.8 . . . . 0.0 115.859 166.503 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -105.82 26.12 10.01 Favored 'General case' 0 CA--C 1.553 1.06 1 N-CA-C 121.93 4.048 . . . . 0.0 121.93 169.296 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.56 27.07 0.0 OUTLIER 'General case' 0 CA--C 1.556 1.176 0 N-CA-C 120.542 3.534 . . . . 0.0 120.542 -177.21 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 98.9 mttt 51.33 47.45 24.82 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 126.65 1.98 . . . . 0.0 112.976 -174.803 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 5.0 p90 -117.54 -146.52 0.4 Allowed 'General case' 0 CA--C 1.549 0.92 0 CA-C-N 115.033 -0.985 . . . . 0.0 111.962 -156.401 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -72.02 -44.23 63.73 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.248 1.419 . . . . 0.0 112.125 -174.551 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -97.98 70.64 2.13 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-O 124.093 1.901 . . . . 0.0 112.691 -177.981 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.77 -35.06 75.48 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 111.377 -2.647 . . . . 0.0 114.014 176.165 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 47.4 mtm -66.6 -32.46 73.8 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.358 1.063 . . . . 0.0 113.139 173.865 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 47.1 mt -87.85 -35.99 17.46 Favored 'General case' 0 CA--C 1.542 0.643 0 O-C-N 121.67 -0.644 . . . . 0.0 111.295 -177.909 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 46.9 tttp -48.7 -43.26 36.96 Favored 'General case' 0 CA--C 1.553 1.088 0 N-CA-C 115.087 1.514 . . . . 0.0 115.087 150.303 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.58 -25.77 66.79 Favored 'General case' 0 CA--C 1.557 1.246 0 O-C-N 118.816 -2.428 . . . . 0.0 112.967 170.399 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 92.8 m -62.18 -40.33 95.66 Favored 'General case' 0 N--CA 1.478 0.929 0 O-C-N 119.555 -1.966 . . . . 0.0 114.226 161.04 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -49.45 -52.85 26.28 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 118.913 0.779 . . . . 0.0 110.807 162.521 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.25 3.9 m-30 -73.06 -26.12 61.17 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 113.956 1.095 . . . . 0.0 113.956 -174.733 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.99 -36.74 75.4 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.503 1.121 . . . . 0.0 113.461 161.275 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -74.56 -39.36 41.69 Favored Glycine 0 CA--C 1.533 1.214 0 N-CA-C 115.7 1.04 . . . . 0.0 115.7 168.244 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.96 -41.95 97.43 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 114.493 1.294 . . . . 0.0 114.493 177.953 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 77.7 m-85 -73.72 70.37 1.38 Allowed 'General case' 0 CA--C 1.55 0.947 0 CA-C-O 123.032 1.396 . . . . 0.0 112.879 173.882 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.7 ttp180 -123.14 147.55 46.69 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-N 115.176 -0.92 . . . . 0.0 112.815 -179.644 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 21.7 m-80 -113.68 -134.17 0.35 Allowed 'General case' 0 CA--C 1.553 1.078 0 O-C-N 120.785 -1.197 . . . . 0.0 110.996 -178.629 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -70.66 5.12 2.02 Favored 'General case' 0 CA--C 1.548 0.897 0 O-C-N 119.39 -2.069 . . . . 0.0 115.794 166.431 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.4 p-10 -80.79 66.73 6.42 Favored 'General case' 0 CA--C 1.551 0.984 0 O-C-N 119.471 -2.018 . . . . 0.0 111.943 174.228 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -56.89 -16.87 7.6 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 116.311 1.967 . . . . 0.0 116.311 -177.474 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 17.8 p -82.11 70.59 9.06 Favored 'General case' 0 CA--C 1.543 0.684 0 O-C-N 119.802 -1.811 . . . . 0.0 112.48 -178.22 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 57.1 m -57.63 -44.1 85.32 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 113.09 -1.868 . . . . 0.0 114.342 -176.96 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 46.2 mp0 -70.07 -23.89 63.15 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 113.545 0.943 . . . . 0.0 113.545 177.61 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -71.57 -53.1 14.87 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 119.373 0.988 . . . . 0.0 110.859 170.866 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.596 ' O ' HD12 ' A' ' 41' ' ' ILE . 55.4 ttt180 -54.87 -48.73 72.58 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 114.516 -1.22 . . . . 0.0 111.309 171.761 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -89.48 11.22 20.01 Favored 'General case' 0 CA--C 1.552 1.045 0 N-CA-C 117.082 2.253 . . . . 0.0 117.082 174.432 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.8 -38.94 64.44 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 119.149 -2.219 . . . . 0.0 111.802 145.783 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 34.0 mtp180 -66.81 -43.6 83.4 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 113.061 0.763 . . . . 0.0 113.061 169.6 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.596 HD12 ' O ' ' A' ' 37' ' ' ARG . 3.5 mp -75.47 82.5 0.61 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.844 0 CA-C-O 127.093 3.33 . . . . 0.0 112.52 164.104 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.42 22.81 11.1 Favored 'General case' 0 CA--C 1.548 0.891 1 CA-C-N 107.673 -4.33 . . . . 0.0 114.883 -174.39 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 46.6 mm -71.41 -44.24 72.01 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 O-C-N 121.15 -0.969 . . . . 0.0 113.467 -169.344 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -173.05 164.03 35.89 Favored Glycine 0 CA--C 1.545 1.95 0 CA-C-O 118.051 -1.416 . . . . 0.0 116.038 176.916 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_exo -52.95 -50.68 13.22 Favored 'Trans proline' 0 C--N 1.361 1.223 0 C-N-CA 125.238 3.958 . . . . 0.0 116.395 178.35 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 38.5 tttm -68.87 -25.04 64.42 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 123.267 0.627 . . . . 0.0 111.83 175.938 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 43.9 t -65.54 -60.0 3.39 Favored 'General case' 0 C--N 1.349 0.58 0 CA-C-O 117.707 -1.14 . . . . 0.0 111.11 171.097 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -50.52 -41.05 19.6 Favored 'Isoleucine or valine' 0 C--N 1.352 0.694 0 N-CA-C 114.678 1.362 . . . . 0.0 114.678 170.291 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.09 -47.87 75.7 Favored 'General case' 0 CA--C 1.554 1.115 0 N-CA-C 115.278 1.585 . . . . 0.0 115.278 174.318 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.33 -46.43 79.92 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 120.519 1.509 . . . . 0.0 111.067 168.206 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.563 ' CE2' HD13 ' A' ' 41' ' ' ILE . 3.4 t80 -54.63 -52.38 62.45 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.923 1.289 . . . . 0.0 112.489 174.838 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -61.66 -41.59 97.74 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 113.288 0.847 . . . . 0.0 113.288 178.864 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -61.19 -47.73 84.78 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 114.183 1.179 . . . . 0.0 114.183 172.082 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 18.1 m -66.42 -29.58 69.76 Favored 'General case' 0 CA--C 1.552 1.026 0 N-CA-C 115.862 1.801 . . . . 0.0 115.862 170.991 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 35.8 t -57.69 -43.03 84.84 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 121.539 1.972 . . . . 0.0 112.017 162.903 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -58.35 -45.64 87.8 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 115.585 -2.15 . . . . 0.0 113.254 168.96 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.504 1.9 pp -70.85 -26.75 28.44 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 CA-C-N 124.403 3.274 . . . . 0.0 115.706 171.302 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.86 -50.6 70.16 Favored 'General case' 0 CA--C 1.548 0.873 0 CA-C-N 122.199 2.272 . . . . 0.0 112.159 167.141 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 71.3 m-80 -66.66 -38.57 87.12 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 173.628 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -67.85 -44.28 77.52 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-O 116.158 -1.877 . . . . 0.0 114.284 171.167 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.8 p -66.36 -25.91 36.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 CA-C-N 123.836 3.016 . . . . 0.0 112.752 176.806 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 44.7 ttt180 -62.13 -32.25 72.81 Favored 'General case' 0 CA--C 1.552 1.053 0 O-C-N 121.319 -0.863 . . . . 0.0 113.244 165.835 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -95.29 -45.92 6.95 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 114.273 1.212 . . . . 0.0 114.273 175.821 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 . . . . . 0 CA--C 1.553 1.093 0 O-C-N 120.354 -1.466 . . . . 0.0 113.468 -177.591 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 33.9 ttm . . . . . 0 CA--C 1.548 0.889 0 N-CA-C 113.452 0.908 . . . . 1.1699999999999999 113.452 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 10.0 mp -58.13 -51.09 71.16 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.302 1.441 . . . . 0.68999999999999995 114.035 -179.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.26 -37.07 86.18 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.165 0.986 . . . . 1.55 113.361 174.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -62.68 -43.99 97.4 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.229 1.012 . . . . 1.45 112.181 173.234 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -63.1 -39.92 96.13 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 114.281 1.215 . . . . 1.1799999999999999 114.281 171.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 76.7 mt -56.93 -52.42 55.77 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 CA-C-N 119.887 1.221 . . . . 0.42999999999999999 110.088 167.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.32 -49.65 73.71 Favored 'General case' 0 C--O 1.219 -0.504 0 CA-C-O 116.412 -1.756 . . . . 1.25 111.966 176.292 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -62.65 -29.19 70.44 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 123.844 3.02 . . . . 1.3300000000000001 115.066 177.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 -82.58 -57.79 3.19 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 121.299 1.863 . . . . 0.91000000000000003 112.804 168.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.4 3.53 3.69 Favored 'General case' 0 CA--C 1.556 1.205 0 N-CA-C 117.926 2.565 . . . . 0.0 117.926 173.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.72 -50.63 14.77 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 117.859 -3.026 . . . . 0.0 113.035 157.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.7 pttm -82.61 63.82 6.94 Favored 'General case' 0 CA--C 1.549 0.933 0 CA-C-O 123.642 1.687 . . . . 1.0800000000000001 112.313 -174.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -52.97 -12.84 0.36 Allowed 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 116.956 2.206 . . . . 1.49 116.956 179.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -61.73 -32.74 72.98 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.105 0.962 . . . . 1.55 112.635 162.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 -88.72 67.14 8.29 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-O 125.147 2.403 . . . . 0.92000000000000004 110.895 174.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.76 -45.47 85.87 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 108.925 -3.762 . . . . 0.0 114.978 -169.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 63.7 mtp -65.69 -39.24 91.05 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.543 0.737 . . . . 1.02 112.889 177.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -73.89 -45.48 50.56 Favored 'General case' 0 C--O 1.239 0.501 0 C-N-CA 124.372 1.069 . . . . 0.39000000000000001 113.532 -178.16 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.25 -30.39 71.27 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-O 118.179 -0.915 . . . . 1.0600000000000001 112.93 166.025 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.4 tmtm? -69.61 -30.09 67.76 Favored 'General case' 0 CA--C 1.548 0.891 0 CA-C-N 122.438 2.381 . . . . 0.90000000000000002 111.337 168.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 96.5 m -56.4 -42.24 77.64 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 122.963 2.62 . . . . 0.41999999999999998 113.452 163.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -48.87 -53.75 18.19 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 122.939 0.496 . . . . 0.059999999999999998 111.501 163.401 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.414 ' HA ' ' HB3' ' A' ' 26' ' ' ALA 0.294 5.3 m-30 -71.71 -28.27 63.58 Favored 'General case' 0 CA--C 1.549 0.924 0 N-CA-C 113.776 1.028 . . . . 0.12 113.776 -175.466 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -57.6 -38.27 74.62 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.618 1.167 . . . . 0.71999999999999997 113.41 162.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -68.16 -39.44 88.39 Favored Glycine 0 CA--C 1.536 1.393 0 N-CA-C 114.649 0.62 . . . . 0.0 114.649 165.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.414 ' HB3' ' HA ' ' A' ' 23' ' ' TYR . . . -69.17 -27.41 65.5 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 115.927 1.825 . . . . 0.0 115.927 179.019 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -68.41 60.66 0.09 Allowed 'General case' 0 CA--C 1.562 1.405 0 CA-C-N 123.421 2.828 . . . . 1.75 112.088 171.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.1 tpt180 -77.36 76.73 3.9 Favored 'General case' 0 CA--C 1.546 0.819 0 O-C-N 119.092 -2.255 . . . . 1.73 112.587 -178.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 31.7 m120 -114.35 -7.33 12.92 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 112.857 -1.974 . . . . 1.27 112.929 169.201 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -73.73 -36.29 65.16 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 113.896 1.073 . . . . 1.1200000000000001 113.896 175.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 62.32 -25.1 0.05 Allowed 'General case' 0 CA--C 1.549 0.937 0 N-CA-C 117.211 2.301 . . . . 1.21 117.211 179.066 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.62 -148.58 0.01 OUTLIER 'General case' 0 CA--C 1.562 1.441 0 N-CA-C 115.722 1.749 . . . . 1.46 115.722 166.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 69.3 m -97.0 96.72 8.69 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 117.945 -2.972 . . . . 0.71999999999999997 111.459 -166.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 23.9 p -60.58 -31.73 70.85 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 114.829 1.418 . . . . 0.51000000000000001 114.829 -177.074 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -70.97 -21.06 62.37 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 114.844 1.424 . . . . 1.3500000000000001 114.844 174.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -74.51 -42.53 58.76 Favored 'General case' 0 CA--C 1.548 0.88 0 CA-C-N 120.381 1.446 . . . . 1.46 110.208 169.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.582 ' O ' HD12 ' A' ' 41' ' ' ILE . 38.9 mmt180 -62.9 -41.69 99.52 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 114.965 -1.016 . . . . 1.6799999999999999 111.79 169.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . 0.264 . . -83.31 3.37 31.78 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 116.954 2.205 . . . . 0.0 116.954 169.155 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.07 -37.63 75.53 Favored 'General case' 0 CA--C 1.546 0.796 0 O-C-N 119.163 -2.211 . . . . 0.0 112.137 146.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 81.7 mtt85 -69.88 -42.87 72.88 Favored 'General case' 0 CA--C 1.553 1.065 0 N-CA-C 113.948 1.092 . . . . 1.5800000000000001 113.948 168.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.582 HD12 ' O ' ' A' ' 37' ' ' ARG . 3.1 mp -71.38 83.11 0.29 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.98 0 CA-C-O 127.26 3.409 . . . . 0.14999999999999999 112.601 164.607 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.1 pttm -101.37 16.7 24.76 Favored 'General case' 0 CA--C 1.547 0.846 1 CA-C-N 107.416 -4.447 . . . . 1.4399999999999999 115.066 -174.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 49.0 mm -64.59 -35.74 75.49 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.837 0 C-N-CA 124.379 1.072 . . . . 0.41999999999999998 113.612 -169.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -171.84 160.3 32.0 Favored Glycine 0 CA--C 1.545 1.948 0 CA-C-O 118.102 -1.388 . . . . 0.0 115.262 173.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -52.18 -48.93 19.22 Favored 'Trans proline' 0 C--N 1.362 1.254 0 C-N-CA 124.956 3.771 . . . . 0.0 115.189 173.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 40.3 mttm -60.76 -34.25 74.17 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 113.9 1.074 . . . . 0.93000000000000005 113.9 172.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 42.3 t -64.39 -56.51 13.87 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-O 117.657 -1.163 . . . . 0.22 111.356 175.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -51.39 -45.41 33.56 Favored 'Isoleucine or valine' 0 C--N 1.349 0.584 0 N-CA-C 114.757 1.392 . . . . 0.080000000000000002 114.757 169.446 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -58.58 -52.38 65.92 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 114.991 1.478 . . . . 1.3999999999999999 114.991 174.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.61 -52.11 56.86 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.45 1.1 . . . . 0.0 110.739 171.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.523 ' CE2' HD13 ' A' ' 41' ' ' ILE . 2.2 t80 -54.76 -54.05 47.08 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.113 1.365 . . . . 0.20000000000000001 112.521 177.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 65.2 tttp -61.42 -47.08 87.4 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.469 1.108 . . . . 1.29 113.379 -178.017 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -69.13 -43.35 74.55 Favored 'General case' 0 C--O 1.244 0.806 0 CA-C-N 120.13 1.332 . . . . 0.63 113.528 179.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.3 m -58.37 -45.65 87.85 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-O 116.818 -1.563 . . . . 0.070000000000000007 113.012 169.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 51.8 t -57.87 -45.76 85.85 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-N 121.246 1.839 . . . . 0.28999999999999998 112.701 172.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 20.5 m-30 -59.5 -46.77 87.85 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 121.088 1.767 . . . . 1.8500000000000001 113.991 176.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 19.2 mm -64.88 -41.88 93.35 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 CA-C-N 120.395 1.452 . . . . 0.63 113.309 173.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.85 -43.79 97.85 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 113.755 1.02 . . . . 0.0 113.755 174.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -61.72 -46.33 90.1 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.406 1.082 . . . . 0.87 112.767 172.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -68.62 -32.99 73.26 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 114.505 1.298 . . . . 1.1699999999999999 114.505 177.258 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . 0.269 31.4 m -72.64 -32.94 43.05 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.722 0 CA-C-N 122.084 2.22 . . . . 0.40999999999999998 113.479 164.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 7.9 tpp180 -64.2 -36.59 84.55 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 121.514 1.961 . . . . 1.96 113.73 170.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.5 -26.4 65.26 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 114.22 1.193 . . . . 0.0 114.22 168.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -88.65 -51.15 5.83 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 123.887 0.875 . . . . 1.1899999999999999 112.069 170.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -128.88 128.2 43.36 Favored 'General case' 0 CA--C 1.551 0.988 0 N-CA-C 115.79 1.774 . . . . 1.27 115.79 -178.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . . . . . . . . 1 C--N 1.228 -4.681 0 O-C-N 120.901 -1.124 . . . . 1.27 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.5 mtp . . . . . 0 CA--C 1.554 1.12 0 N-CA-C 115.758 1.762 . . . . 0.0 115.758 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 73.4 mt 52.21 -99.88 0.09 Allowed 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 127.003 2.121 . . . . 0.0 113.928 -176.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 17.1 tm0? -63.37 -51.45 65.84 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.131 1.373 . . . . 0.0 111.863 -172.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 18.5 mmtm -63.29 -40.78 98.34 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 114.65 1.352 . . . . 0.0 114.65 -174.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . 0.253 48.1 mmtt -76.11 -33.15 59.46 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 116.021 -1.942 . . . . 0.0 115.357 171.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 39.1 mt -62.88 -41.8 94.01 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 CA-C-N 123.445 2.839 . . . . 0.0 109.296 166.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -59.29 -63.41 1.31 Allowed 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 116.707 -1.616 . . . . 0.0 112.168 172.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -68.08 -20.26 64.94 Favored 'General case' 0 CA--C 1.55 0.961 0 CA-C-N 124.064 3.12 . . . . 0.0 114.602 -175.17 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -87.21 -61.88 1.63 Allowed 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 122.071 2.214 . . . . 0.0 112.138 167.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.67 0.08 13.92 Favored 'General case' 0 CA--C 1.555 1.172 0 N-CA-C 118.032 2.604 . . . . 0.0 118.032 176.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.57 -49.2 19.31 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 124.46 3.3 . . . . 0.0 112.006 155.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -80.53 70.16 7.18 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-O 122.594 1.188 . . . . 0.0 111.33 -177.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.6 m-30 -55.49 -8.68 0.38 Allowed 'General case' 0 CA--C 1.552 1.038 0 N-CA-C 116.198 1.925 . . . . 0.0 116.198 173.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -61.36 -34.36 75.18 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 124.705 1.202 . . . . 0.0 112.586 160.034 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 11.1 m-30 -80.73 60.71 4.12 Favored 'General case' 0 CA--C 1.549 0.923 0 O-C-N 120.144 -1.598 . . . . 0.0 110.504 174.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.14 -50.09 67.75 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 115.443 1.646 . . . . 0.0 115.443 -166.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 47.8 mtm -66.44 -32.26 73.53 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 175.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 52.3 mt -83.87 -39.67 19.59 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.591 0.756 . . . . 0.0 112.171 -173.482 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.73 -29.42 67.83 Favored 'General case' 0 CA--C 1.546 0.803 0 O-C-N 121.021 -1.049 . . . . 0.0 112.2 164.367 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.7 tmtt? -63.07 -37.8 88.63 Favored 'General case' 0 CA--C 1.548 0.866 0 CA-C-N 121.818 2.099 . . . . 0.0 110.753 164.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 86.5 m -55.34 -40.96 71.86 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 122.694 2.497 . . . . 0.0 114.03 166.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -51.12 -55.99 14.96 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 118.74 0.7 . . . . 0.0 112.09 163.788 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 7.2 m-30 -73.53 -24.39 60.12 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 114.208 1.188 . . . . 0.0 114.208 -172.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.69 -54.33 47.4 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.489 1.516 . . . . 0.0 110.917 160.376 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.87 -37.83 95.54 Favored Glycine 0 CA--C 1.535 1.283 0 N-CA-C 115.32 0.888 . . . . 0.0 115.32 174.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.29 -38.26 86.16 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 118.449 1.125 . . . . 0.0 113.023 172.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 35.1 t80 -71.69 74.11 0.81 Allowed 'General case' 0 CA--C 1.555 1.157 0 CA-C-O 123.158 1.456 . . . . 0.0 112.158 168.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.407 ' NE ' HD21 ' A' ' 59' ' ' ASN . 8.5 mmm180 -76.14 83.08 2.97 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-O 123.054 1.407 . . . . 0.0 113.512 169.051 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.4 ' ND2' ' H ' ' A' ' 29' ' ' ASN . 3.0 p30 -86.02 -36.3 19.82 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 114.297 -1.32 . . . . 0.0 113.498 171.004 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -63.61 -16.55 61.2 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 118.197 2.666 . . . . 0.0 118.197 -171.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 63.06 -50.43 0.2 Allowed 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 116.485 2.032 . . . . 0.0 116.485 177.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -73.0 -118.52 0.0 OUTLIER 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 125.13 1.372 . . . . 0.0 113.848 178.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 21.7 p -107.07 124.66 49.98 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 117.949 -2.969 . . . . 0.0 113.38 -179.284 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 22.1 p -68.27 -21.36 64.8 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 174.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 54.8 mp0 -63.31 -36.47 83.79 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.819 1.248 . . . . 0.0 113.9 177.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -69.65 -46.29 66.48 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 119.964 1.256 . . . . 0.0 112.649 174.09 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.523 ' O ' HD12 ' A' ' 41' ' ' ILE . 64.6 ttt180 -54.38 -51.03 66.1 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 114.858 -1.064 . . . . 0.0 111.755 168.659 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -80.67 -2.84 48.33 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 116.786 2.143 . . . . 0.0 116.786 174.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.17 -26.93 63.19 Favored 'General case' 0 CA--C 1.545 0.769 0 O-C-N 119.357 -2.089 . . . . 0.0 113.113 151.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.44 -43.87 59.4 Favored 'General case' 0 CA--C 1.552 1.035 0 CA-C-N 120.189 1.358 . . . . 0.0 114.337 159.783 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.533 HD13 ' CE2' ' A' ' 51' ' ' PHE 0.291 3.3 mp -70.47 83.17 0.23 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.965 0 CA-C-O 126.94 3.257 . . . . 0.0 114.237 171.817 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 66.4 mmtt -102.74 27.98 6.51 Favored 'General case' 0 CA--C 1.547 0.855 1 CA-C-N 108.069 -4.15 . . . . 0.0 115.137 -178.717 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 47.7 mm -68.29 -35.31 70.52 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.912 0 O-C-N 120.68 -1.262 . . . . 0.0 112.765 -177.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -176.34 164.47 34.32 Favored Glycine 0 CA--C 1.547 2.053 0 CA-C-O 118.371 -1.238 . . . . 0.0 115.596 173.109 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.519 ' O ' ' HG2' ' A' ' 49' ' ' LYS . 70.0 Cg_exo -54.33 -47.91 24.34 Favored 'Trans proline' 0 C--N 1.359 1.128 0 C-N-CA 124.857 3.704 . . . . 0.0 115.708 174.071 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 15.5 mttm -62.24 -33.21 74.17 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.176 1.39 . . . . 0.0 113.826 172.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 27.3 t -63.37 -58.06 8.32 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.923 0.889 . . . . 0.0 111.263 172.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.419 ' O ' ' HB2' ' A' ' 52' ' ' LYS 0.288 0.0 OUTLIER -53.61 -34.35 23.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 N-CA-C 115.688 1.736 . . . . 0.0 115.688 172.557 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.519 ' HG2' ' O ' ' A' ' 45' ' ' PRO . 33.3 mmtm -64.77 -54.05 37.39 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-N 120.039 1.291 . . . . 0.0 113.985 169.026 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -50.79 -50.41 56.23 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.831 1.252 . . . . 0.0 110.866 173.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.533 ' CE2' HD13 ' A' ' 41' ' ' ILE . 2.8 t80 -54.92 -54.72 38.97 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.045 1.338 . . . . 0.0 112.132 176.433 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.419 ' HB2' ' O ' ' A' ' 48' ' ' VAL . 0.0 OUTLIER -63.08 -44.1 96.67 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 -176.222 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -70.09 -45.46 66.92 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 113.178 0.807 . . . . 0.0 113.178 -178.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 2.0 m -59.14 -41.27 87.88 Favored 'General case' 0 CA--C 1.55 0.951 0 CA-C-O 117.234 -1.365 . . . . 0.0 113.855 166.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 20.3 t -55.81 -47.83 76.47 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 121.681 2.037 . . . . 0.0 113.941 171.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -66.91 -36.82 83.14 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 177.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 17.1 mm -67.4 -37.73 79.49 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 CA-C-N 120.561 1.528 . . . . 0.0 113.84 167.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.13 -43.62 82.55 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 169.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.407 HD21 ' NE ' ' A' ' 28' ' ' ARG . 64.3 m-80 -67.48 -33.94 76.14 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 114.77 1.396 . . . . 0.0 114.77 170.491 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -61.09 -43.24 99.18 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 119.974 1.261 . . . . 0.0 112.075 167.14 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 97.9 t -60.75 -43.55 95.46 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.824 0 C-N-CA 123.883 0.873 . . . . 0.0 112.793 171.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 45.6 mtt-85 -58.43 -35.91 72.82 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 169.023 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.4 -52.84 12.35 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 114.285 1.217 . . . . 0.0 114.285 172.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -77.21 64.33 2.61 Favored 'General case' 0 CA--C 1.555 1.137 0 CA-C-O 124.077 1.894 . . . . 0.0 114.411 -177.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 97.0 mm-40 -100.95 -53.05 3.14 Favored 'General case' 0 CA--C 1.545 0.764 0 O-C-N 120.861 -1.149 . . . . 0.0 113.229 174.261 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . . . . . . . . 1 C--N 1.233 -4.474 0 CA-C-N 119.83 1.195 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.3 ptp . . . . . 0 CA--C 1.546 0.791 0 N-CA-C 114.455 1.28 . . . . 0.0 114.455 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 78.1 mt -87.71 105.83 17.64 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-O 122.974 1.369 . . . . 0.0 111.993 179.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 15.3 tm0? -54.59 -41.0 69.39 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 113.208 -1.815 . . . . 0.0 111.834 171.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -60.67 -32.61 71.8 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 114.582 1.327 . . . . 0.0 114.582 173.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 58.5 mmtt -78.55 -32.18 47.75 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 121.166 1.803 . . . . 0.0 114.422 172.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 73.5 mt -56.68 -52.97 47.36 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 CA-C-N 119.13 0.877 . . . . 0.0 109.31 162.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -59.06 -37.76 77.8 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-O 117.378 -1.296 . . . . 0.0 113.524 177.035 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -67.52 -37.32 82.6 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 122.442 2.383 . . . . 0.0 114.37 172.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -86.43 -48.35 8.51 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 121.076 1.762 . . . . 0.0 113.794 174.261 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.11 4.37 2.78 Favored 'General case' 0 CA--C 1.554 1.104 0 N-CA-C 115.861 1.801 . . . . 0.0 115.861 167.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.84 -44.07 74.16 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 118.537 -2.602 . . . . 0.0 112.544 150.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 38.4 mttp -83.05 66.98 8.93 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-O 122.739 1.257 . . . . 0.0 110.936 -171.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -63.61 -13.54 43.14 Favored 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 114.482 1.289 . . . . 0.0 114.482 171.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.3 tmtt? -64.81 -40.46 95.26 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 124.726 1.21 . . . . 0.0 111.295 161.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -92.75 69.49 4.72 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-O 125.875 2.75 . . . . 0.0 110.617 174.063 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.5 -39.55 70.62 Favored 'General case' 0 CA--C 1.536 0.429 1 CA-C-N 107.8 -4.273 . . . . 0.0 114.174 -173.619 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 32.8 ttm -65.41 -36.51 84.18 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.377 1.071 . . . . 0.0 112.924 175.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 75.9 mt -82.76 -42.02 18.48 Favored 'General case' 0 C--O 1.24 0.604 0 O-C-N 121.183 -0.948 . . . . 0.0 112.524 -175.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.66 -29.32 69.87 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 119.052 -1.059 . . . . 0.0 112.851 164.001 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.9 tptp -63.87 -38.3 90.6 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 121.945 2.157 . . . . 0.0 111.292 166.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 99.4 m -52.84 -42.74 65.45 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 122.157 2.253 . . . . 0.0 113.491 166.361 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -51.05 -53.73 31.12 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 118.349 0.522 . . . . 0.0 112.181 163.672 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.289 6.5 m-30 -73.46 -25.9 60.69 Favored 'General case' 0 CA--C 1.554 1.114 0 N-CA-C 114.466 1.284 . . . . 0.0 114.466 -173.073 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -59.25 -41.95 89.96 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.005 1.322 . . . . 0.0 112.599 161.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.22 -40.55 92.33 Favored Glycine 0 CA--C 1.537 1.431 0 CA-C-O 118.952 -0.915 . . . . 0.0 114.622 167.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.92 -42.33 98.96 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 119.329 1.565 . . . . 0.0 114.104 178.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . 0.319 1.4 p90 -95.08 60.96 2.41 Favored 'General case' 0 CA--C 1.55 0.973 0 CA-C-N 121.58 1.991 . . . . 0.0 114.19 167.452 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.28 102.54 5.01 Favored 'General case' 0 CA--C 1.547 0.853 0 O-C-N 121.458 -0.776 . . . . 0.0 110.439 178.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -146.98 19.41 1.26 Allowed 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 114.972 1.471 . . . . 0.0 114.972 -177.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 16.9 p-10 -75.67 59.41 1.17 Allowed 'General case' 0 CA--C 1.555 1.135 0 N-CA-C 115.323 1.601 . . . . 0.0 115.323 -171.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 66.31 -53.91 0.41 Allowed 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 127.102 2.161 . . . . 0.0 115.68 172.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 60.2 mt-10 -73.04 174.09 8.39 Favored 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 124.242 1.017 . . . . 0.0 113.691 174.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.1 t -93.96 161.37 14.32 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 119.604 -1.935 . . . . 0.0 114.54 -168.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 94.0 m -59.77 -39.61 85.44 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 113.622 -1.626 . . . . 0.0 114.128 -171.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -65.5 -26.28 67.85 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 113.534 0.938 . . . . 0.0 113.534 -174.283 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -65.98 -55.6 15.94 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-O 123.437 1.589 . . . . 0.0 111.355 175.142 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.616 ' O ' HD12 ' A' ' 41' ' ' ILE . 9.2 mpt_? -63.89 -47.1 81.98 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 112.653 -2.067 . . . . 0.0 110.039 177.74 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -81.63 -0.13 41.08 Favored 'General case' 0 CA--C 1.551 1.012 0 N-CA-C 116.585 2.068 . . . . 0.0 116.585 175.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.58 -32.09 67.67 Favored 'General case' 0 CA--C 1.54 0.596 0 O-C-N 119.263 -2.148 . . . . 0.0 112.53 150.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 41.2 mmt180 -71.29 -44.14 65.79 Favored 'General case' 0 CA--C 1.552 1.037 0 N-CA-C 113.673 0.99 . . . . 0.0 113.673 165.003 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.616 HD12 ' O ' ' A' ' 37' ' ' ARG 0.293 3.2 mp -73.59 83.07 0.46 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.92 0 CA-C-O 126.587 3.089 . . . . 0.0 113.801 172.68 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 47.4 mttp -100.85 21.06 14.21 Favored 'General case' 0 CA--C 1.548 0.897 1 CA-C-N 108.191 -4.095 . . . . 0.0 115.655 -179.129 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 78.4 mt -65.04 -37.09 79.36 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.937 0 O-C-N 120.49 -1.381 . . . . 0.0 113.441 -172.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -175.96 163.83 33.57 Favored Glycine 0 CA--C 1.546 1.992 0 CA-C-O 117.887 -1.507 . . . . 0.0 115.411 173.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_exo -53.36 -48.47 21.8 Favored 'Trans proline' 0 C--N 1.36 1.157 0 C-N-CA 125.028 3.819 . . . . 0.0 115.76 175.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 22.8 mttm -64.98 -28.8 69.76 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 113.981 1.104 . . . . 0.0 113.981 173.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 38.7 t -66.55 -58.58 4.91 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 117.462 -1.256 . . . . 0.0 111.243 171.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -52.56 -39.34 29.27 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 N-CA-C 115.292 1.59 . . . . 0.0 115.292 171.097 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.3 ttmt -56.6 -56.48 20.83 Favored 'General case' 0 CA--C 1.55 0.976 0 CA-C-N 120.278 1.399 . . . . 0.0 113.539 170.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.78 -51.16 64.33 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.294 1.038 . . . . 0.0 111.173 173.333 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.567 ' CE2' HD13 ' A' ' 41' ' ' ILE . 2.9 t80 -55.35 -58.77 6.36 Favored 'General case' 0 C--N 1.347 0.495 0 C-N-CA 124.682 1.193 . . . . 0.0 111.684 177.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.413 ' O ' ' HD1' ' A' ' 56' ' ' TYR . 24.6 mtpp -61.77 -39.27 91.06 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 117.369 -1.301 . . . . 0.0 113.845 -177.678 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -68.24 -48.55 64.8 Favored 'General case' 0 C--O 1.244 0.773 0 CA-C-N 121.604 2.002 . . . . 0.0 114.047 176.023 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.2 m -59.59 -41.76 90.99 Favored 'General case' 0 CA--C 1.551 0.996 0 N-CA-C 113.682 0.993 . . . . 0.0 113.682 171.108 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 7.9 t -65.07 -41.86 94.67 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 119.826 1.194 . . . . 0.0 113.355 176.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.413 ' HD1' ' O ' ' A' ' 52' ' ' LYS . 35.6 m-85 -64.84 -36.4 84.22 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-O 117.329 -1.319 . . . . 0.0 113.104 172.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 21.9 mm -60.89 -45.55 98.01 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 CA-C-N 121.083 1.765 . . . . 0.0 113.135 166.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.56 -44.92 81.41 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 113.636 0.976 . . . . 0.0 113.636 172.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -65.05 -38.15 89.9 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 123.858 0.863 . . . . 0.0 112.986 172.018 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -64.33 -41.03 97.0 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 120.537 1.517 . . . . 0.0 113.315 170.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 90.5 t -62.04 -40.67 88.23 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.819 0 CA-C-N 119.651 1.114 . . . . 0.0 112.427 170.223 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 13.3 tpt180 -61.69 -42.43 98.93 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-N 119.204 0.911 . . . . 0.0 113.314 169.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.7 -54.21 14.88 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 114.383 1.253 . . . . 0.0 114.383 173.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -80.37 66.21 5.8 Favored 'General case' 0 CA--C 1.549 0.937 0 CA-C-N 120.523 1.51 . . . . 0.0 113.404 -174.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -102.98 -51.41 3.27 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-O 117.961 -1.019 . . . . 0.0 113.429 173.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . . . . . . . . 1 C--N 1.234 -4.446 0 CA-C-N 119.86 1.209 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.8 mtp . . . . . 0 CA--C 1.552 1.039 0 N-CA-C 114.893 1.442 . . . . 0.0 114.893 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -78.85 94.86 5.26 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-O 122.904 1.335 . . . . 0.0 111.616 -175.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -54.61 -41.84 70.43 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 113.472 -1.695 . . . . 0.0 112.768 177.416 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 60.4 tttm -54.99 -37.69 66.88 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.444 1.098 . . . . 0.0 112.808 171.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.0 tppt? -74.47 -38.78 62.83 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 120.156 1.343 . . . . 0.0 113.167 177.038 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.3 mp -59.42 -50.95 78.01 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.177 0 CA-C-N 120.516 1.507 . . . . 0.0 109.521 166.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.26 -32.2 70.94 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-O 116.458 -1.735 . . . . 0.0 114.299 175.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 72.9 mt-10 -66.41 -59.07 4.02 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 123.755 2.98 . . . . 0.0 114.051 167.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -67.67 -45.19 75.95 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 120.092 1.314 . . . . 0.0 113.041 -176.51 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.55 -1.58 22.05 Favored 'General case' 0 CA--C 1.558 1.28 0 N-CA-C 116.7 2.111 . . . . 0.0 116.7 164.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.52 -42.46 35.48 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 125.343 3.701 . . . . 0.0 112.682 151.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 52.0 mtpt -68.27 54.38 0.07 Allowed 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 125.143 1.377 . . . . 0.0 113.867 178.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -57.56 -26.93 62.16 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 115.729 1.751 . . . . 0.0 115.729 -178.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.38 -30.94 68.78 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.938 1.295 . . . . 0.0 113.6 166.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -89.96 71.59 7.49 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-O 125.082 2.372 . . . . 0.0 109.766 173.048 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.429 ' O ' ' HB2' ' A' ' 20' ' ' LYS . . . -55.69 -44.7 77.6 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 108.868 -3.787 . . . . 0.0 114.528 -168.304 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 31.7 ttm -65.89 -34.78 78.92 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.081 0.952 . . . . 0.0 112.641 177.018 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 73.8 mt -82.07 -42.99 18.47 Favored 'General case' 0 C--O 1.238 0.493 0 O-C-N 121.252 -0.905 . . . . 0.0 112.687 -174.461 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.79 -30.4 71.04 Favored 'General case' 0 CA--C 1.55 0.952 0 O-C-N 121.272 -0.892 . . . . 0.0 112.559 164.511 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.429 ' HB2' ' O ' ' A' ' 16' ' ' ALA . 3.2 tmtt? -64.29 -38.56 91.49 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-N 121.868 2.122 . . . . 0.0 110.329 167.52 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 94.2 m -54.52 -42.04 70.39 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 122.489 2.404 . . . . 0.0 113.787 167.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -50.34 -53.46 28.72 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 118.651 0.66 . . . . 0.0 112.064 163.417 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.276 7.2 m-30 -73.68 -26.2 60.62 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 -173.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -56.88 -47.67 79.92 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.189 0.996 . . . . 0.0 112.17 159.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.52 -44.02 85.58 Favored Glycine 0 CA--C 1.535 1.3 0 C-N-CA 123.825 0.726 . . . . 0.0 114.427 169.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.28 -50.03 71.72 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 114.44 1.274 . . . . 0.0 114.44 175.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . 0.402 2.9 p90 -81.14 83.92 6.67 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-N 122.371 2.35 . . . . 0.0 114.006 172.504 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -92.52 38.59 1.02 Allowed 'General case' 0 CA--C 1.555 1.164 0 CA-C-N 112.424 -2.171 . . . . 0.0 113.749 177.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 20.3 m120 -63.36 -24.23 67.76 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 115.554 1.687 . . . . 0.0 115.554 -175.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -64.46 -29.52 70.57 Favored 'General case' 0 CA--C 1.549 0.925 0 N-CA-C 115.057 1.502 . . . . 0.0 115.057 169.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . 0.275 28.2 m-20 53.94 35.41 21.83 Favored 'General case' 0 CA--C 1.55 0.948 0 N-CA-C 117.285 2.328 . . . . 0.0 117.285 -170.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -77.64 173.56 11.9 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-O 122.554 1.169 . . . . 0.0 113.134 163.28 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.8 p -71.45 131.51 43.43 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 120.783 -1.198 . . . . 0.0 112.012 169.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 98.4 m -56.36 -49.1 75.38 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.954 1.302 . . . . 0.0 114.243 -170.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -76.01 -15.67 60.1 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 114.375 1.25 . . . . 0.0 114.375 -179.303 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -86.33 -41.77 14.25 Favored 'General case' 0 C--O 1.242 0.689 0 CA-C-N 121.183 1.81 . . . . 0.0 111.958 171.292 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.588 ' O ' HD12 ' A' ' 41' ' ' ILE 0.266 15.5 ptt180 -66.15 -37.97 86.97 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-O 118.37 -0.824 . . . . 0.0 111.305 167.775 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . 0.25 . . -89.29 9.4 26.12 Favored 'General case' 0 CA--C 1.551 1.005 0 N-CA-C 116.864 2.172 . . . . 0.0 116.864 169.084 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.28 -39.53 71.48 Favored 'General case' 0 CA--C 1.542 0.65 0 O-C-N 118.917 -2.364 . . . . 0.0 111.956 144.012 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 75.4 mtm180 -68.75 -42.27 77.75 Favored 'General case' 0 CA--C 1.551 1.008 0 N-CA-C 114.061 1.134 . . . . 0.0 114.061 168.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.588 HD12 ' O ' ' A' ' 37' ' ' ARG 0.251 3.4 mp -74.19 81.2 0.48 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.902 0 CA-C-O 127.121 3.343 . . . . 0.0 112.485 162.054 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 62.3 pttt -98.07 16.29 21.6 Favored 'General case' 0 CA--C 1.548 0.871 1 CA-C-N 107.529 -4.396 . . . . 0.0 115.319 -173.707 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 82.3 mt -65.3 -43.01 95.17 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.846 0 N-CA-C 113.938 1.088 . . . . 0.0 113.938 -168.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -176.27 166.79 38.05 Favored Glycine 0 CA--C 1.542 1.78 0 CA-C-O 118.202 -1.332 . . . . 0.0 115.935 176.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -61.29 -44.48 23.13 Favored 'Trans proline' 0 C--N 1.359 1.108 0 C-N-CA 124.544 3.496 . . . . 0.0 115.915 -175.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -64.1 -32.82 74.53 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.732 0.813 . . . . 0.0 112.688 171.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 36.0 t -64.55 -59.86 3.81 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-O 117.136 -1.412 . . . . 0.0 111.276 174.149 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -49.89 -41.53 17.54 Favored 'Isoleucine or valine' 0 C--N 1.351 0.656 0 CA-C-N 120.6 1.545 . . . . 0.0 114.876 170.141 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.3 mmtt -64.05 -49.9 70.51 Favored 'General case' 0 CA--C 1.552 1.039 0 N-CA-C 115.445 1.646 . . . . 0.0 115.445 174.098 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.12 -50.03 65.31 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 124.332 1.053 . . . . 0.0 110.445 168.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.553 ' CE2' HD13 ' A' ' 41' ' ' ILE . 3.5 t80 -55.35 -59.19 5.15 Favored 'General case' 0 C--N 1.348 0.51 0 C-N-CA 124.99 1.316 . . . . 0.0 112.235 177.03 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 18.4 mmmt -59.94 -42.38 93.88 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 114.079 1.14 . . . . 0.0 114.079 -178.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . 0.25 13.9 m-20 -72.15 -41.73 66.76 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 121.229 1.831 . . . . 0.0 114.118 177.522 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.7 m -60.05 -35.52 75.3 Favored 'General case' 0 CA--C 1.551 0.982 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 166.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.6 t -66.05 -36.73 84.03 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 119.899 1.227 . . . . 0.0 113.178 173.323 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 43.6 m-85 -61.71 -40.23 94.32 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 120.225 1.375 . . . . 0.0 113.651 165.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 21.5 mm -60.79 -42.91 94.09 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 CA-C-N 119.773 1.17 . . . . 0.0 112.867 169.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.03 -43.2 86.62 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 113.958 1.096 . . . . 0.0 113.958 172.125 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -60.43 -43.35 96.88 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 119.672 1.124 . . . . 0.0 113.517 169.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -60.03 -39.84 87.28 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 123.737 0.815 . . . . 0.0 112.89 173.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 97.4 t -65.87 -55.73 18.09 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.748 0 CA-C-O 118.661 -0.685 . . . . 0.0 112.434 167.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.792 ' HE ' ' N ' ' A' ' 66' ' ' SER . 1.6 mmp_? -65.75 -12.34 53.06 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 116.105 1.891 . . . . 0.0 116.105 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.34 -26.81 68.64 Favored 'General case' 0 CA--C 1.547 0.845 0 O-C-N 120.835 -1.165 . . . . 0.0 114.133 160.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -125.87 -29.11 3.14 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 115.099 1.518 . . . . 0.0 115.099 178.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 92.3 mm-40 -107.79 -67.58 0.95 Allowed 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 121.713 2.052 . . . . 0.0 111.688 168.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.792 ' N ' ' HE ' ' A' ' 62' ' ' ARG . . . . . . . . 1 C--N 1.234 -4.434 0 O-C-N 119.915 -1.741 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.9 mtp . . . . . 0 CA--C 1.548 0.896 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 72.7 mt -59.2 -47.75 84.17 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 114.423 1.268 . . . . 0.0 114.423 -176.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -58.99 -42.32 89.74 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.57 1.148 . . . . 0.0 112.99 176.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 17.7 tptp -65.62 -44.54 86.2 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 123.893 0.877 . . . . 0.0 111.51 175.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 18.2 mtmt -62.76 -39.7 94.96 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 114.402 1.26 . . . . 0.0 114.402 172.446 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 28.1 mt -60.2 -44.86 96.33 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 CA-C-N 121.218 1.826 . . . . 0.0 110.137 168.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -58.8 -46.36 87.76 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-O 117.138 -1.411 . . . . 0.0 112.752 174.217 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -63.3 -41.32 98.94 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 123.398 2.817 . . . . 0.0 114.333 171.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.573 ' O ' ' HE1' ' A' ' 13' ' ' TYR . 65.3 mm-40 -77.35 -41.81 38.97 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 114.716 1.376 . . . . 0.0 114.716 178.55 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -103.63 43.27 1.1 Allowed 'General case' 0 CA--C 1.551 1.015 0 N-CA-C 118.68 2.844 . . . . 0.0 118.68 163.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.8 28.6 0.0 OUTLIER 'General case' 0 CA--C 1.557 1.245 0 O-C-N 118.17 -2.831 . . . . 0.0 118.58 167.364 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 59.2 mtpt 44.03 46.89 7.2 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 127.329 2.252 . . . . 0.0 114.388 -172.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.573 ' HE1' ' O ' ' A' ' 9' ' ' GLU . 1.0 OUTLIER -123.58 -150.7 0.46 Allowed 'General case' 0 CA--C 1.55 0.975 0 CA-C-N 115.227 -0.897 . . . . 0.0 111.629 -160.474 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -71.64 -45.18 62.81 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.951 1.7 . . . . 0.0 115.178 -166.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -80.03 78.7 6.64 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-O 123.8 1.762 . . . . 0.0 114.025 -172.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.16 -54.93 32.98 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 111.335 -2.666 . . . . 0.0 116.183 -177.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 65.0 mtp -66.17 -28.97 69.18 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 113.396 0.888 . . . . 0.0 113.396 -179.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -78.13 -50.0 12.82 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.844 1.258 . . . . 0.0 112.698 -179.216 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 25.5 pttm -61.94 -28.94 69.9 Favored 'General case' 0 CA--C 1.547 0.86 0 O-C-N 120.942 -1.099 . . . . 0.0 113.793 164.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -66.25 -36.24 82.5 Favored 'General case' 0 CA--C 1.553 1.091 0 CA-C-N 120.911 1.687 . . . . 0.0 111.233 166.412 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.8 m -57.08 -39.39 74.87 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-N 123.408 2.822 . . . . 0.0 114.326 164.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -50.65 -52.79 36.5 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-N 119.229 0.922 . . . . 0.0 111.421 163.463 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.284 7.0 m-30 -74.63 -21.67 59.32 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 114.423 1.268 . . . . 0.0 114.423 -174.715 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -58.16 -49.04 78.41 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.584 0.754 . . . . 0.0 112.857 156.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.28 -40.6 98.82 Favored Glycine 0 CA--C 1.532 1.146 0 N-CA-C 115.2 0.84 . . . . 0.0 115.2 173.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.66 -42.46 95.37 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 113.199 0.814 . . . . 0.0 113.199 172.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -74.75 73.94 2.07 Favored 'General case' 0 CA--C 1.554 1.107 0 CA-C-O 123.215 1.483 . . . . 0.0 112.429 173.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 73.4 ttt180 -95.14 115.35 27.32 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.692 169.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -134.13 -106.81 0.23 Allowed 'General case' 0 CA--C 1.553 1.077 0 CA-C-O 117.796 -1.097 . . . . 0.0 112.909 -165.325 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -63.7 -24.0 67.6 Favored 'General case' 0 CA--C 1.55 0.947 0 CA-C-N 122.448 2.385 . . . . 0.0 113.299 174.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -68.44 125.54 26.79 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-O 122.661 1.219 . . . . 0.0 112.815 174.1 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -65.65 -59.85 3.51 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 114.369 -1.287 . . . . 0.0 113.914 176.179 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 92.8 m -123.77 112.3 17.16 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 118.751 0.705 . . . . 0.0 111.795 -174.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 12.1 p -63.2 -27.41 69.34 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 116.364 1.986 . . . . 0.0 116.364 -177.154 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -70.11 -29.8 66.85 Favored 'General case' 0 CA--C 1.55 0.977 0 CA-C-N 119.792 1.178 . . . . 0.0 114.072 174.154 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -69.81 -47.23 63.57 Favored 'General case' 0 CA--C 1.548 0.872 0 O-C-N 119.998 -1.689 . . . . 0.0 111.041 172.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.539 ' O ' HD12 ' A' ' 41' ' ' ILE . 67.7 ttt180 -52.36 -48.65 65.42 Favored 'General case' 0 CA--C 1.547 0.863 0 CA-C-N 113.333 -1.758 . . . . 0.0 112.277 167.182 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -87.98 7.72 29.77 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 117.344 2.35 . . . . 0.0 117.344 172.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.04 -47.65 79.37 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 119.188 -2.195 . . . . 0.0 110.375 143.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 84.7 mtt-85 -66.66 -47.45 72.48 Favored 'General case' 0 CA--C 1.554 1.133 0 N-CA-C 114.594 1.331 . . . . 0.0 114.594 174.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.539 HD12 ' O ' ' A' ' 37' ' ' ARG . 3.3 mp -67.04 90.23 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 CA-C-O 126.426 3.012 . . . . 0.0 112.663 168.574 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.18 46.08 2.05 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-N 109.171 -3.649 . . . . 0.0 112.496 176.026 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 89.6 mt -68.97 -40.96 81.6 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.813 0 O-C-N 121.373 -0.829 . . . . 0.0 111.927 177.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -169.16 158.1 30.43 Favored Glycine 0 CA--C 1.544 1.882 0 CA-C-O 117.465 -1.742 . . . . 0.0 114.117 174.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -51.63 -44.72 42.44 Favored 'Trans proline' 0 C--N 1.359 1.103 0 C-N-CA 125.013 3.809 . . . . 0.0 115.747 176.124 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 51.2 tttm -65.88 -32.91 74.68 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 124.464 1.106 . . . . 0.0 112.235 175.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -68.02 -55.67 11.76 Favored 'General case' 0 C--N 1.348 0.54 0 C-N-CA 124.347 1.059 . . . . 0.0 111.061 174.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -54.22 -39.72 44.14 Favored 'Isoleucine or valine' 0 C--N 1.351 0.669 0 N-CA-C 114.901 1.445 . . . . 0.0 114.901 171.132 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.0 tttt -56.37 -58.85 6.23 Favored 'General case' 0 CA--C 1.549 0.942 0 CA-C-N 119.564 1.075 . . . . 0.0 112.967 171.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.05 -50.13 59.22 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.579 1.152 . . . . 0.0 111.664 173.538 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.532 ' CE2' HD13 ' A' ' 41' ' ' ILE . 1.9 t80 -55.01 -55.79 26.96 Favored 'General case' 0 C--N 1.349 0.577 0 CA-C-O 117.521 -1.228 . . . . 0.0 111.596 176.186 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.6 mmmt -59.95 -41.5 92.02 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 120.06 1.3 . . . . 0.0 113.858 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -62.47 -50.12 72.69 Favored 'General case' 0 CA--C 1.55 0.971 0 CA-C-N 120.879 1.672 . . . . 0.0 112.972 177.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 17.5 m -63.12 -37.82 88.73 Favored 'General case' 0 CA--C 1.555 1.141 0 N-CA-C 114.634 1.346 . . . . 0.0 114.634 170.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.7 t -60.11 -40.65 90.42 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 120.769 1.622 . . . . 0.0 113.198 169.062 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -62.61 -40.54 97.29 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-O 115.835 -2.031 . . . . 0.0 113.882 169.222 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.435 1.9 pp -69.79 -31.92 50.14 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 CA-C-N 124.377 3.262 . . . . 0.0 114.663 169.349 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.02 -40.42 93.51 Favored 'General case' 0 CA--C 1.547 0.847 0 CA-C-N 120.319 1.418 . . . . 0.0 112.806 169.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -63.29 -41.61 99.0 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 112.948 0.721 . . . . 0.0 112.948 170.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 30.3 mm100 -62.52 -40.1 95.67 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-O 118.113 -0.946 . . . . 0.0 113.376 170.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 94.3 t -60.04 -45.11 95.92 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.808 0 CA-C-N 120.289 1.404 . . . . 0.0 112.437 170.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -64.15 -35.83 82.07 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 114.911 1.449 . . . . 0.0 114.911 171.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.81 -53.26 10.66 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 120.231 1.378 . . . . 0.0 114.161 171.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -81.7 67.48 7.69 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-O 123.348 1.547 . . . . 0.0 113.094 -175.161 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 91.2 mm-40 -95.28 -52.1 4.32 Favored 'General case' 0 CA--C 1.546 0.821 0 CA-C-N 114.833 -1.076 . . . . 0.0 113.38 173.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . . . . . . . . 1 C--N 1.233 -4.458 0 CA-C-N 119.851 1.205 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 46.7 mmm . . . . . 0 CA--C 1.545 0.766 0 N-CA-C 115.756 1.762 . . . . 0.0 115.756 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 59.9 mt -75.14 73.0 2.27 Favored 'General case' 0 CA--C 1.554 1.096 0 CA-C-O 124.708 2.194 . . . . 0.0 114.584 -175.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -59.31 -24.98 63.76 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 112.33 -2.214 . . . . 0.0 114.12 169.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -60.17 -44.39 95.08 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.723 1.209 . . . . 0.0 112.486 169.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.34 -41.43 76.63 Favored 'General case' 0 C--O 1.241 0.626 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 172.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 72.2 mt -56.13 -53.05 43.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 CA-C-O 117.477 -1.249 . . . . 0.0 109.722 168.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -73.26 -10.81 60.16 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 121.403 1.91 . . . . 0.0 115.73 176.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -68.76 -40.99 79.46 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 125.718 3.872 . . . . 0.0 111.711 160.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -86.14 -31.23 21.94 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 114.635 1.346 . . . . 0.0 114.635 178.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -99.04 28.51 4.36 Favored 'General case' 0 CA--C 1.558 1.268 0 N-CA-C 119.399 3.111 . . . . 0.0 119.399 158.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.94 56.22 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.25 0 O-C-N 117.309 -3.369 . . . . 0.0 117.287 164.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . 0.272 0.8 OUTLIER 65.63 -50.05 0.38 Allowed 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 128.308 2.643 . . . . 0.0 114.074 177.232 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 64.17 130.29 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 120.374 3.472 . . . . 0.0 120.374 167.11 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm -66.99 -43.43 82.96 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 109.959 -3.291 . . . . 0.0 111.567 150.018 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -82.52 68.54 9.01 Favored 'General case' 0 CA--C 1.554 1.099 0 CA-C-O 125.542 2.591 . . . . 0.0 112.273 177.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.57 -36.36 80.43 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 109.724 -3.398 . . . . 0.0 114.758 -177.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 62.5 mtp -65.37 -31.62 72.82 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.9 0.88 . . . . 0.0 112.984 174.246 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -78.44 -46.66 19.24 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.375 1.07 . . . . 0.0 112.394 176.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -50.29 -40.79 49.44 Favored 'General case' 0 CA--C 1.561 1.373 0 N-CA-C 115.126 1.528 . . . . 0.0 115.126 157.153 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.6 tptp -63.2 -35.7 81.19 Favored 'General case' 0 CA--C 1.551 0.986 0 O-C-N 118.555 -2.591 . . . . 0.0 112.686 169.013 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -56.14 -41.36 75.26 Favored 'General case' 0 CA--C 1.553 1.087 0 CA-C-N 121.322 1.873 . . . . 0.0 112.02 167.098 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -48.79 -54.26 15.83 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 124.12 0.968 . . . . 0.0 111.657 163.434 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.256 9.1 m-30 -71.74 -31.64 66.88 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 114.888 1.44 . . . . 0.0 114.888 -173.488 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -62.08 -33.04 73.68 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 113.331 0.863 . . . . 0.0 113.331 164.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -74.9 -40.39 36.12 Favored Glycine 0 CA--C 1.535 1.313 0 CA-C-N 118.943 0.792 . . . . 0.0 114.682 168.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.12 -35.5 73.56 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.355 1.062 . . . . 0.0 113.658 176.276 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -70.74 72.3 0.53 Allowed 'General case' 0 CA--C 1.554 1.134 0 O-C-N 121.219 -0.926 . . . . 0.0 112.656 163.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -65.12 112.51 3.42 Favored 'General case' 0 CA--C 1.55 0.946 0 CA-C-O 122.706 1.241 . . . . 0.0 113.191 177.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -69.15 142.57 54.33 Favored 'General case' 0 CA--C 1.551 1.008 0 CA-C-N 113.702 -1.59 . . . . 0.0 114.263 176.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -69.51 61.23 0.15 Allowed 'General case' 0 CA--C 1.549 0.92 0 CA-C-O 123.625 1.679 . . . . 0.0 115.381 -179.19 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -104.67 -172.51 2.11 Favored 'General case' 0 CA--C 1.554 1.133 0 CA-C-N 113.692 -1.595 . . . . 0.0 110.612 168.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -65.19 -62.96 1.23 Allowed 'General case' 0 CA--C 1.545 0.786 0 O-C-N 120.623 -1.298 . . . . 0.0 110.547 172.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.2 t -144.24 138.09 27.76 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-O 122.074 0.94 . . . . 0.0 111.789 170.061 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.5 p -66.21 -27.83 68.28 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 115.166 -0.924 . . . . 0.0 113.306 172.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -69.73 -23.48 63.4 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 114.869 1.433 . . . . 0.0 114.869 -175.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -66.4 -53.31 37.28 Favored 'General case' 0 CA--C 1.546 0.827 0 CA-C-N 119.505 1.048 . . . . 0.0 111.656 169.371 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.495 ' O ' HG13 ' A' ' 41' ' ' ILE . 57.0 mtp180 -59.6 -46.95 87.44 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 114.742 -1.117 . . . . 0.0 111.981 172.041 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -77.9 -5.85 52.38 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 117.396 2.369 . . . . 0.0 117.396 173.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.39 -46.94 78.07 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 119.698 -1.876 . . . . 0.0 111.55 151.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.3 mtp180 -73.98 -21.99 59.79 Favored 'General case' 0 CA--C 1.552 1.04 0 N-CA-C 115.878 1.807 . . . . 0.0 115.878 174.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.495 HG13 ' O ' ' A' ' 37' ' ' ARG . 52.6 mt -67.53 95.03 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 CA-C-O 125.208 2.433 . . . . 0.0 109.93 166.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.15 27.52 9.58 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 110.298 -3.137 . . . . 0.0 115.202 179.493 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 47.7 pt -68.91 -30.64 47.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 N-CA-C 115.217 1.562 . . . . 0.0 115.217 -175.081 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -171.42 137.63 4.46 Favored Glycine 0 CA--C 1.543 1.836 0 CA-C-O 116.56 -2.245 . . . . 0.0 113.03 175.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -62.45 -44.69 17.21 Favored 'Trans proline' 0 CA--C 1.545 1.063 0 CA-C-N 123.688 3.744 . . . . 0.0 116.674 -171.281 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.5 tmtt? -69.69 -30.06 67.62 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 119.064 0.847 . . . . 0.0 111.182 173.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -65.58 -58.42 5.82 Favored 'General case' 0 C--N 1.35 0.594 0 CA-C-O 116.084 -1.912 . . . . 0.0 108.893 175.17 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . 0.269 0.1 OUTLIER -54.85 -36.2 36.56 Favored 'Isoleucine or valine' 0 C--N 1.352 0.689 0 CA-C-N 122.377 2.353 . . . . 0.0 115.866 169.437 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 51.3 tttm -56.27 -55.24 35.73 Favored 'General case' 0 CA--C 1.551 1.0 0 CA-C-N 122.238 2.29 . . . . 0.0 112.454 170.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.64 -54.59 45.35 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.906 0.882 . . . . 0.0 112.83 172.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.404 ' HE2' HD12 ' A' ' 41' ' ' ILE . 81.6 t80 -58.98 -57.28 13.76 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 125.055 1.342 . . . . 0.0 114.053 179.533 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.3 ttpp -71.52 -28.69 64.06 Favored 'General case' 0 CA--C 1.552 1.02 0 CA-C-N 118.63 0.65 . . . . 0.0 111.113 -175.06 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.407 ' O ' HG12 ' A' ' 57' ' ' ILE . 89.1 m-20 -74.24 -46.09 43.86 Favored 'General case' 0 C--N 1.359 0.998 0 CA-C-N 121.031 1.741 . . . . 0.0 113.163 173.36 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.2 m -56.76 -43.23 80.57 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 120.089 1.313 . . . . 0.0 113.106 167.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -58.4 -45.84 87.6 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 120.133 1.333 . . . . 0.0 113.452 171.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -57.96 -46.63 84.82 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 120.036 1.289 . . . . 0.0 113.008 171.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.407 HG12 ' O ' ' A' ' 53' ' ' ASP . 5.0 mm -65.72 -40.73 88.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 CA-C-N 120.173 1.351 . . . . 0.0 112.319 177.13 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.0 -44.29 94.64 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 171.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -63.89 -41.21 97.78 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 123.662 0.785 . . . . 0.0 112.766 171.116 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -57.89 -46.56 84.73 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.454 1.102 . . . . 0.0 112.539 170.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 84.5 t -62.53 -49.17 84.92 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.703 0 CA-C-O 117.84 -1.076 . . . . 0.0 112.562 171.006 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 63.9 mtp180 -66.6 -23.62 66.21 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 121.229 1.831 . . . . 0.0 115.731 176.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.49 -36.66 65.82 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 120.687 1.585 . . . . 0.0 113.571 164.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -76.21 -44.17 38.94 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.1 0.96 . . . . 0.0 113.407 175.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 11.4 mm-40 -128.64 -62.41 1.02 Allowed 'General case' 0 CA--C 1.546 0.818 0 O-C-N 120.405 -1.435 . . . . 0.0 113.13 176.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . . . . . . . . 1 C--N 1.234 -4.428 0 CA-C-N 120.108 1.322 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 75.4 mmm . . . . . 0 CA--C 1.548 0.886 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 9.1 mp -60.47 -44.47 95.87 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.917 1.287 . . . . 0.0 113.575 -177.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 26.6 mp0 -59.57 -43.98 93.43 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.494 1.518 . . . . 0.0 112.897 177.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -62.7 -44.64 95.71 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.941 0.897 . . . . 0.0 112.381 173.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.2 mtpt -66.29 -36.5 83.11 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-O 117.416 -1.278 . . . . 0.0 114.291 175.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 15.7 mt -60.76 -47.68 92.1 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 CA-C-N 121.673 2.033 . . . . 0.0 109.626 167.473 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -56.23 -51.48 67.94 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.026 0.931 . . . . 0.0 112.83 174.148 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -66.71 -29.17 69.1 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 121.744 2.065 . . . . 0.0 114.814 178.182 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -93.44 -28.99 15.8 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 120.624 1.556 . . . . 0.0 115.016 174.198 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -107.07 33.1 4.14 Favored 'General case' 0 CA--C 1.557 1.231 0 N-CA-C 119.272 3.064 . . . . 0.0 119.272 162.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -49.45 -58.69 4.7 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 118.136 2.643 . . . . 0.0 118.136 177.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -155.6 -58.99 0.1 Allowed 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.518 1.127 . . . . 0.0 108.804 174.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 70.62 123.1 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 120.902 3.667 . . . . 0.0 120.902 167.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.79 -47.7 77.15 Favored 'General case' 0 CA--C 1.55 0.96 0 CA-C-N 110.036 -3.256 . . . . 0.0 109.877 149.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -82.81 68.01 9.11 Favored 'General case' 0 CA--C 1.551 1.009 0 CA-C-O 126.818 3.199 . . . . 0.0 113.662 176.01 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.45 -29.21 67.63 Favored 'General case' 0 CA--C 1.537 0.456 1 CA-C-N 107.471 -4.422 . . . . 0.0 113.005 176.49 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 47.8 mtm -64.99 -32.64 74.46 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.791 1.236 . . . . 0.0 113.562 171.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 73.4 mt -85.01 -40.56 16.73 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 121.167 -0.958 . . . . 0.0 111.585 -179.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 73.6 tttt -55.44 -42.1 73.76 Favored 'General case' 0 CA--C 1.557 1.244 0 N-CA-C 114.502 1.297 . . . . 0.0 114.502 157.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.2 ttpp -69.25 -21.2 63.92 Favored 'General case' 0 CA--C 1.552 1.046 0 O-C-N 119.034 -2.291 . . . . 0.0 112.691 170.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.2 t -65.58 -37.33 86.36 Favored 'General case' 0 CA--C 1.551 1.001 0 O-C-N 120.079 -1.638 . . . . 0.0 112.666 163.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -51.63 -54.4 28.25 Favored 'General case' 0 N--CA 1.485 1.307 0 CA-C-N 119.385 0.993 . . . . 0.0 111.009 159.542 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.295 4.8 m-30 -73.56 -19.57 60.86 Favored 'General case' 0 CA--C 1.554 1.104 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 -174.131 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.52 -48.83 80.14 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.663 1.585 . . . . 0.0 111.997 157.705 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.71 -41.03 95.61 Favored Glycine 0 CA--C 1.532 1.132 0 N-CA-C 115.418 0.927 . . . . 0.0 115.418 171.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.94 -43.51 87.83 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 113.741 1.015 . . . . 0.0 113.741 173.383 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -74.63 67.51 1.55 Allowed 'General case' 0 CA--C 1.556 1.201 0 CA-C-O 123.298 1.523 . . . . 0.0 112.844 177.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 70.1 ttt180 -79.0 63.07 3.59 Favored 'General case' 0 CA--C 1.553 1.093 0 CA-C-O 124.303 2.002 . . . . 0.0 112.704 175.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -120.42 -33.24 3.91 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 113.414 -1.721 . . . . 0.0 113.356 178.015 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -66.24 -35.54 80.69 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 114.007 1.114 . . . . 0.0 114.007 179.101 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -142.04 145.8 34.78 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.541 1.136 . . . . 0.0 109.478 178.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -65.77 -32.01 73.31 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 178.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 18.1 p -118.64 101.28 8.0 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 120.22 1.373 . . . . 0.0 112.548 -177.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.6 p -63.18 -32.7 74.16 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 115.87 1.804 . . . . 0.0 115.87 -175.039 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -67.16 -39.09 86.45 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 124.043 0.937 . . . . 0.0 113.422 174.211 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -72.77 -42.74 63.65 Favored 'General case' 0 CA--C 1.547 0.836 0 O-C-N 121.04 -1.037 . . . . 0.0 110.526 176.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.614 ' O ' HD12 ' A' ' 41' ' ' ILE . 64.5 ttt180 -51.92 -47.41 64.68 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 115.052 -0.976 . . . . 0.0 112.121 165.443 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -83.46 -1.22 53.07 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 117.72 2.489 . . . . 0.0 117.72 172.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.94 -32.88 74.43 Favored 'General case' 0 CA--C 1.548 0.894 0 O-C-N 119.828 -1.795 . . . . 0.0 112.086 148.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 28.5 mtt180 -73.87 -47.19 39.95 Favored 'General case' 0 CA--C 1.555 1.158 0 O-C-N 121.158 -0.964 . . . . 0.0 113.243 168.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.614 HD12 ' O ' ' A' ' 37' ' ' ARG 0.278 3.3 mp -67.92 86.38 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.878 0 CA-C-O 126.855 3.217 . . . . 0.0 114.257 171.27 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -100.01 13.41 34.09 Favored 'General case' 0 CA--C 1.548 0.897 1 CA-C-N 107.742 -4.299 . . . . 0.0 115.138 179.185 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 91.5 mt -63.08 -38.89 83.26 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.937 0 N-CA-C 114.428 1.27 . . . . 0.0 114.428 -167.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -167.88 159.86 33.25 Favored Glycine 0 CA--C 1.544 1.903 0 CA-C-O 117.934 -1.481 . . . . 0.0 115.002 175.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_exo -53.54 -50.72 12.87 Favored 'Trans proline' 0 C--N 1.36 1.162 0 C-N-CA 124.827 3.685 . . . . 0.0 115.419 174.276 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -61.34 -32.55 72.43 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 113.436 0.902 . . . . 0.0 113.436 173.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 3.9 t -64.29 -59.37 4.47 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-O 117.757 -1.116 . . . . 0.0 109.628 175.045 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . 0.286 0.0 OUTLIER -55.3 -38.17 46.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 N-CA-C 115.561 1.689 . . . . 0.0 115.561 172.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 24.8 mtpt -56.05 -55.24 35.28 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 121.601 2.001 . . . . 0.0 113.613 169.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.53 -52.61 63.13 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.587 1.155 . . . . 0.0 110.319 176.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.565 ' CE2' HD13 ' A' ' 41' ' ' ILE . 1.7 t80 -55.16 -55.89 26.13 Favored 'General case' 0 C--N 1.346 0.421 0 CA-C-O 117.019 -1.467 . . . . 0.0 111.481 177.294 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 47.0 mttm -57.98 -47.91 81.57 Favored 'General case' 0 C--N 1.345 0.409 0 CA-C-N 120.181 1.355 . . . . 0.0 113.638 -178.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -67.82 -44.05 78.18 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 120.473 1.488 . . . . 0.0 113.565 -178.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 17.5 m -62.28 -37.29 84.93 Favored 'General case' 0 CA--C 1.557 1.218 0 N-CA-C 114.038 1.125 . . . . 0.0 114.038 168.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.6 t -62.85 -41.72 99.47 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 120.715 1.598 . . . . 0.0 114.127 170.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -65.39 -31.87 73.21 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 120.682 1.583 . . . . 0.0 112.961 171.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 21.6 mm -62.67 -48.24 89.11 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 CA-C-N 120.595 1.543 . . . . 0.0 113.112 163.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.02 -46.67 71.89 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 123.9 0.88 . . . . 0.0 113.196 173.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -63.89 -32.95 74.65 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 174.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -68.39 -56.25 9.16 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 119.66 1.118 . . . . 0.0 112.814 166.624 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . 0.26 33.1 m -64.89 -22.89 32.3 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 CA-C-N 120.905 1.684 . . . . 0.0 115.006 -176.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 12.9 mmt85 -59.72 -19.56 50.77 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 120.916 1.689 . . . . 0.0 114.976 166.219 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.69 -25.72 44.82 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 120.399 1.454 . . . . 0.0 112.929 170.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -94.45 -46.36 7.04 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 121.622 -0.674 . . . . 0.0 112.421 173.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -115.05 -59.87 1.96 Allowed 'General case' 0 CA--C 1.546 0.798 0 O-C-N 120.883 -1.136 . . . . 0.0 113.449 -177.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . . . . . . . . 1 C--N 1.234 -4.418 0 CA-C-N 120.068 1.304 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.5 ttm . . . . . 0 CA--C 1.548 0.901 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 73.6 mt -78.0 58.99 2.07 Favored 'General case' 0 CA--C 1.552 1.047 0 CA-C-O 123.862 1.791 . . . . 0.0 114.083 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -61.02 -34.39 74.76 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 113.22 -1.809 . . . . 0.0 112.612 175.013 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 52.7 tttp -54.4 -45.57 72.96 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.308 1.443 . . . . 0.0 113.108 172.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.9 tptp -72.71 -37.13 67.89 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 119.014 0.824 . . . . 0.0 112.552 176.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 60.0 mt -58.85 -48.38 86.45 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 CA-C-N 119.385 0.993 . . . . 0.0 110.16 167.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -61.0 -45.16 95.94 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 116.69 -1.624 . . . . 0.0 113.556 175.283 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 -63.85 -39.18 93.61 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 124.035 3.107 . . . . 0.0 114.288 175.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.509 ' O ' ' HE1' ' A' ' 13' ' ' TYR . 0.5 OUTLIER -82.94 -37.92 23.48 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 114.672 1.36 . . . . 0.0 114.672 177.182 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -105.96 45.65 0.96 Allowed 'General case' 0 CA--C 1.553 1.07 0 N-CA-C 117.959 2.578 . . . . 0.0 117.959 162.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.7 28.01 0.01 OUTLIER 'General case' 0 CA--C 1.554 1.117 0 N-CA-C 119.176 3.028 . . . . 0.0 119.176 170.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 50.23 43.1 26.26 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 126.223 1.809 . . . . 0.0 113.65 -174.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.509 ' HE1' ' O ' ' A' ' 9' ' ' GLU . 0.6 OUTLIER -124.78 -152.32 0.51 Allowed 'General case' 0 CA--C 1.551 0.999 0 CA-C-N 115.174 -0.921 . . . . 0.0 111.678 -161.588 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 66.0 tttt -67.32 -47.37 70.73 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 126.259 1.824 . . . . 0.0 114.537 -166.14 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -83.16 80.28 9.11 Favored 'General case' 0 CA--C 1.545 0.75 0 CA-C-O 123.913 1.816 . . . . 0.0 114.106 -170.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.7 -46.1 77.74 Favored 'General case' 0 CA--C 1.541 0.635 0 CA-C-N 111.606 -2.543 . . . . 0.0 115.265 177.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.04 -32.62 74.43 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.15 0.98 . . . . 0.0 113.606 177.066 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 36.0 mt -85.46 -43.39 13.63 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.319 0.647 . . . . 0.0 111.463 -174.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.4 ptpp? -59.96 -32.64 71.0 Favored 'General case' 0 CA--C 1.549 0.914 0 O-C-N 120.696 -1.252 . . . . 0.0 113.539 161.125 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.1 ttpp -62.39 -39.98 94.98 Favored 'General case' 0 CA--C 1.549 0.922 0 CA-C-N 121.8 2.091 . . . . 0.0 111.615 167.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.2 m -51.73 -44.43 63.25 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 122.124 2.238 . . . . 0.0 113.125 166.299 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -50.35 -53.37 29.49 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 118.534 0.606 . . . . 0.0 112.408 166.513 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.252 6.6 m-30 -74.56 -30.53 61.77 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 114.136 1.162 . . . . 0.0 114.136 -172.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -62.05 -33.01 73.59 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 113.481 0.919 . . . . 0.0 113.481 163.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.43 -45.9 35.57 Favored Glycine 0 CA--C 1.537 1.466 0 CA-C-N 118.656 0.662 . . . . 0.0 114.359 167.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.07 -36.68 82.39 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 115.29 1.589 . . . . 0.0 115.29 -179.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -74.2 66.92 1.31 Allowed 'General case' 0 CA--C 1.553 1.061 0 N-CA-C 114.395 1.258 . . . . 0.0 114.395 173.256 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.48 ' HD3' ' O ' ' A' ' 29' ' ' ASN . 0.7 OUTLIER 63.68 -55.47 0.21 Allowed 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 127.154 2.181 . . . . 0.0 116.289 170.104 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.48 ' O ' ' HD3' ' A' ' 28' ' ' ARG . 28.2 t-20 71.99 146.46 0.07 Allowed 'General case' 0 CA--C 1.555 1.154 0 C-N-CA 127.488 2.315 . . . . 0.0 114.481 -171.433 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -61.91 -24.08 66.73 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 115.944 1.831 . . . . 0.0 115.944 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -101.03 144.24 30.2 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 120.233 1.379 . . . . 0.0 113.419 -174.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -69.59 -17.21 63.52 Favored 'General case' 0 CA--C 1.546 0.821 0 CA-C-N 113.641 -1.618 . . . . 0.0 114.6 172.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 89.1 m -142.71 84.34 1.84 Allowed 'General case' 0 CA--C 1.542 0.636 0 O-C-N 119.042 -2.286 . . . . 0.0 109.666 165.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 30.9 p -61.6 -20.99 63.95 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 114.016 -1.447 . . . . 0.0 114.896 -176.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.6 mp0 -64.73 -32.08 73.59 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.976 1.31 . . . . 0.0 113.239 174.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -66.26 -48.52 70.2 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-O 123.583 1.658 . . . . 0.0 111.971 171.231 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.565 ' O ' HD12 ' A' ' 41' ' ' ILE . 45.8 mmm-85 -60.88 -45.08 96.0 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 113.214 -1.812 . . . . 0.0 111.564 172.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.454 ' HA ' ' HB ' ' A' ' 41' ' ' ILE . . . -80.69 3.31 22.53 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 122.061 2.209 . . . . 0.0 116.679 171.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.45 -37.48 77.36 Favored 'General case' 0 CA--C 1.547 0.845 0 O-C-N 119.329 -2.107 . . . . 0.0 111.863 145.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 80.8 mtp180 -80.06 -40.53 27.5 Favored 'General case' 0 CA--C 1.558 1.265 0 N-CA-C 116.722 2.119 . . . . 0.0 116.722 171.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.565 HD12 ' O ' ' A' ' 37' ' ' ARG 0.278 2.2 mp -51.63 97.38 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.547 0.841 0 CA-C-O 126.479 3.038 . . . . 0.0 114.412 167.658 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -110.18 36.93 2.86 Favored 'General case' 0 CA--C 1.549 0.935 1 CA-C-N 108.033 -4.167 . . . . 0.0 114.342 -179.595 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 95.0 mt -68.51 -48.23 73.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 O-C-N 120.719 -1.238 . . . . 0.0 112.9 -179.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -177.14 149.32 9.42 Favored Glycine 0 CA--C 1.542 1.78 0 CA-C-O 116.095 -2.503 . . . . 0.0 113.185 176.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_exo -48.33 -57.57 2.27 Favored 'Trans proline' 0 C--N 1.36 1.174 1 C-N-CA 125.388 4.059 . . . . 0.0 117.199 -172.467 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 20.2 mtpp -66.05 -27.18 67.9 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.895 1.072 . . . . 0.0 113.895 173.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.33 -54.28 22.09 Favored 'General case' 0 C--N 1.349 0.58 0 CA-C-O 116.866 -1.54 . . . . 0.0 109.675 173.252 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -52.99 -46.7 53.99 Favored 'Isoleucine or valine' 0 C--N 1.352 0.7 0 CA-C-N 121.375 1.898 . . . . 0.0 114.318 171.065 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -55.14 -53.34 57.19 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 119.951 1.251 . . . . 0.0 113.217 174.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.44 -56.24 24.42 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.39 0.676 . . . . 0.0 111.723 174.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.456 ' HE2' HD13 ' A' ' 41' ' ' ILE . 67.1 t80 -59.3 -53.36 59.11 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.465 1.106 . . . . 0.0 113.536 -178.339 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -65.91 -44.06 86.32 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-O 118.982 -0.532 . . . . 0.0 110.922 -177.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.468 ' O ' HG12 ' A' ' 57' ' ' ILE . 39.9 m-20 -70.94 -43.79 67.44 Favored 'General case' 0 C--N 1.355 0.838 0 CA-C-N 119.683 1.128 . . . . 0.0 112.914 -177.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.5 m -57.98 -42.04 84.25 Favored 'General case' 0 CA--C 1.548 0.9 0 CA-C-O 117.505 -1.236 . . . . 0.0 113.658 166.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.59 -39.53 88.47 Favored 'General case' 0 CA--C 1.548 0.881 0 CA-C-N 121.518 1.963 . . . . 0.0 113.572 176.265 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -59.36 -44.67 92.66 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 123.453 0.701 . . . . 0.0 112.859 170.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.468 HG12 ' O ' ' A' ' 53' ' ' ASP . 6.4 mm -68.1 -35.82 73.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 O-C-N 121.383 -0.823 . . . . 0.0 112.672 174.437 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.65 -45.17 77.71 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.509 0.723 . . . . 0.0 112.864 168.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -59.55 -50.69 72.91 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 113.437 0.902 . . . . 0.0 113.437 168.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -57.36 -50.05 74.19 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.825 0.85 . . . . 0.0 113.097 177.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 76.5 t -64.19 -50.71 75.55 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.611 0 CA-C-O 118.091 -0.957 . . . . 0.0 112.736 175.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 81.6 mtt85 -74.73 -12.55 60.44 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 115.541 1.682 . . . . 0.0 115.541 -178.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.82 -31.72 65.01 Favored 'General case' 0 CA--C 1.545 0.769 0 O-C-N 120.258 -1.526 . . . . 0.0 113.23 161.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -88.92 -52.64 4.99 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.569 0.748 . . . . 0.0 112.788 176.383 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 29.5 mm100 -110.83 -58.18 2.13 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-O 117.997 -1.002 . . . . 0.0 113.211 -176.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . . . . . . . . 1 C--N 1.235 -4.407 0 CA-C-N 119.901 1.228 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.7 mmm . . . . . 0 CA--C 1.548 0.881 0 N-CA-C 113.912 1.079 . . . . 0.0 113.912 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -54.56 -50.03 68.94 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 115.708 1.744 . . . . 0.0 115.708 -176.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -63.05 -44.96 94.43 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.14 0.976 . . . . 0.0 112.162 174.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 20.5 tptt -69.4 -33.26 72.75 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -179.02 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 41.4 mmtt -72.42 -36.76 68.68 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 116.272 1.953 . . . . 0.0 116.272 169.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . 0.26 1.8 pt -59.75 -40.64 83.02 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 CA-C-N 123.469 2.85 . . . . 0.0 111.16 163.431 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -57.52 -62.59 1.67 Allowed 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 117.048 -1.453 . . . . 0.0 111.795 170.02 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -65.09 -31.54 72.79 Favored 'General case' 0 CA--C 1.549 0.905 0 CA-C-N 123.174 2.716 . . . . 0.0 115.269 -172.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.472 ' HG2' ' HB2' ' A' ' 50' ' ' ALA . 0.7 OUTLIER -88.74 -52.69 4.99 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 122.541 2.428 . . . . 0.0 113.996 170.502 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.41 6.92 3.24 Favored 'General case' 0 CA--C 1.557 1.223 0 CA-C-N 122.54 2.427 . . . . 0.0 116.218 172.213 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.71 -48.6 30.86 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 118.046 -2.909 . . . . 0.0 113.351 152.115 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.5 ptpp? -80.9 60.61 4.19 Favored 'General case' 0 CA--C 1.551 0.983 0 CA-C-O 123.397 1.57 . . . . 0.0 112.432 -173.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -52.39 -23.5 6.09 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 116.567 2.062 . . . . 0.0 116.567 -179.422 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 59.3 tptt -57.75 -36.79 72.58 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 125.768 1.627 . . . . 0.0 113.22 165.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -85.16 75.73 10.28 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-O 125.486 2.565 . . . . 0.0 110.525 175.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.68 -49.15 71.32 Favored 'General case' 0 CA--C 1.531 0.241 1 CA-C-N 107.86 -4.245 . . . . 0.0 114.804 -169.105 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 57.1 mtp -64.46 -35.3 80.5 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.647 0.779 . . . . 0.0 112.699 177.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 77.1 mt -81.39 -44.66 17.22 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-N 118.86 0.754 . . . . 0.0 112.882 -173.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.98 -26.67 66.03 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 118.759 -1.176 . . . . 0.0 113.004 165.511 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.7 tmtm? -67.48 -35.68 79.65 Favored 'General case' 0 CA--C 1.55 0.953 0 CA-C-N 122.021 2.191 . . . . 0.0 111.269 166.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 75.1 m -54.47 -42.38 70.59 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 122.255 2.298 . . . . 0.0 113.632 164.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -49.28 -55.83 11.43 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 122.908 0.483 . . . . 0.0 111.467 164.012 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.3 6.8 m-30 -73.22 -24.44 60.5 Favored 'General case' 0 CA--C 1.556 1.187 0 N-CA-C 114.155 1.168 . . . . 0.0 114.155 -173.496 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -60.26 -36.55 78.03 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.296 1.038 . . . . 0.0 113.381 160.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.95 -39.83 63.59 Favored Glycine 0 CA--C 1.532 1.109 0 CA-C-N 119.139 0.882 . . . . 0.0 115.016 167.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.52 -42.56 99.0 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 114.466 1.284 . . . . 0.0 114.466 177.11 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -73.46 66.8 1.0 Allowed 'General case' 0 CA--C 1.555 1.17 0 CA-C-N 120.183 1.356 . . . . 0.0 114.497 175.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 -71.39 54.48 0.21 Allowed 'General case' 0 CA--C 1.554 1.133 0 N-CA-C 117.485 2.402 . . . . 0.0 117.485 -178.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -69.41 -24.7 63.88 Favored 'General case' 0 CA--C 1.552 1.023 0 N-CA-C 115.545 1.684 . . . . 0.0 115.545 -176.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -72.22 -25.0 61.48 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 121.771 2.078 . . . . 0.0 114.46 175.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 58.51 -18.38 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 119.411 3.115 . . . . 0.0 119.411 -177.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.31 -113.84 0.0 OUTLIER 'General case' 0 CA--C 1.555 1.154 0 CA-C-N 122.996 2.634 . . . . 0.0 114.393 169.651 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 67.6 p -103.62 138.64 40.01 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 117.368 -3.332 . . . . 0.0 113.112 -178.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 41.0 t -64.12 -41.22 97.32 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 115.129 -0.941 . . . . 0.0 112.344 169.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.8 mp0 -69.02 -29.87 68.13 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 115.326 1.602 . . . . 0.0 115.326 -174.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -68.8 -52.1 33.82 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 122.981 2.628 . . . . 0.0 110.716 172.276 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.581 ' O ' HD12 ' A' ' 41' ' ' ILE . 20.1 ttt180 -46.16 -56.5 5.58 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.811 1.644 . . . . 0.0 111.936 168.045 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -84.61 -0.04 51.85 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 117.549 2.426 . . . . 0.0 117.549 176.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.44 -30.37 68.28 Favored 'General case' 0 CA--C 1.543 0.687 0 O-C-N 119.225 -2.172 . . . . 0.0 112.448 151.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 29.6 mmt180 -74.06 -42.49 60.14 Favored 'General case' 0 CA--C 1.55 0.976 0 N-CA-C 113.048 0.758 . . . . 0.0 113.048 168.362 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.581 HD12 ' O ' ' A' ' 37' ' ' ARG 0.297 3.5 mp -71.76 86.19 0.35 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.888 0 CA-C-O 127.12 3.343 . . . . 0.0 113.259 169.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.6 tppt? -86.25 -7.87 58.19 Favored 'General case' 0 CA--C 1.548 0.872 1 CA-C-N 106.912 -4.676 . . . . 0.0 115.684 -171.562 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 48.4 mm -58.72 -42.44 85.25 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.838 0 N-CA-C 115.691 1.737 . . . . 0.0 115.691 -158.052 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -175.48 161.82 30.97 Favored Glycine 0 CA--C 1.545 1.931 0 CA-C-O 117.712 -1.604 . . . . 0.0 115.822 176.244 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_exo -51.59 -50.92 12.39 Favored 'Trans proline' 0 C--N 1.362 1.246 1 C-N-CA 125.315 4.01 . . . . 0.0 116.288 178.659 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 45.0 mttm -63.92 -28.38 69.79 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 113.854 1.057 . . . . 0.0 113.854 172.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 38.8 t -68.53 -58.33 4.46 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-O 117.495 -1.241 . . . . 0.0 111.067 173.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -51.99 -41.23 31.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 CA-C-N 120.404 1.456 . . . . 0.0 114.892 171.134 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.1 mmpt? -63.19 -48.75 77.03 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 115.706 1.743 . . . . 0.0 115.706 172.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.472 ' HB2' ' HG2' ' A' ' 9' ' ' GLU . . . -53.33 -50.09 65.72 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 119.55 1.068 . . . . 0.0 110.789 169.42 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.565 ' CE2' HD13 ' A' ' 41' ' ' ILE . 2.4 t80 -55.35 -58.37 7.99 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.095 1.358 . . . . 0.0 112.443 177.538 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 20.6 tttm -63.58 -39.75 95.18 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.752 0.821 . . . . 0.0 112.957 -175.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -77.77 -36.2 50.81 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 120.828 -1.17 . . . . 0.0 114.119 178.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.2 m -58.27 -38.11 76.29 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-O 117.728 -1.13 . . . . 0.0 113.887 160.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 25.7 m -56.1 -44.54 79.17 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 121.227 1.83 . . . . 0.0 113.864 166.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 18.6 m-30 -59.93 -40.76 90.02 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 119.647 1.112 . . . . 0.0 113.252 172.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 27.1 mm -60.6 -50.78 79.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 CA-C-N 118.955 0.798 . . . . 0.0 112.726 169.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.38 -43.3 79.09 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 113.895 1.072 . . . . 0.0 113.895 174.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -64.93 -37.51 87.87 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 174.048 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 71.0 tp60 -62.83 -45.84 90.73 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 119.08 0.854 . . . . 0.0 112.496 169.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 69.0 t -60.34 -54.92 28.26 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.735 0 CA-C-O 117.691 -1.147 . . . . 0.0 113.189 175.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 16.7 ptt180 -64.51 -25.41 67.98 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 120.913 1.688 . . . . 0.0 114.799 -178.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.66 -30.02 68.63 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 113.51 0.93 . . . . 0.0 113.51 170.157 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -85.87 -53.51 5.06 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.534 0.734 . . . . 0.0 112.192 172.276 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -158.18 135.5 10.16 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 177.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . . . . . . . . 1 C--N 1.229 -4.652 0 O-C-N 121.795 -0.565 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.9 mtm . . . . . 0 CA--C 1.549 0.909 0 N-CA-C 113.533 0.938 . . . . 0.0 113.533 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 57.3 mt -71.52 -34.26 69.92 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-O 122.231 1.015 . . . . 0.0 113.387 -175.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 20.8 mp0 -62.42 -49.86 73.8 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 126.013 1.725 . . . . 0.0 113.032 -177.197 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.1 ptmm? -66.04 -29.23 69.55 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 115.662 -0.699 . . . . 0.0 112.579 175.12 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 17.6 mtpp -72.87 -31.9 65.03 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 114.921 1.452 . . . . 0.0 114.921 174.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.5 mt -57.6 -52.1 61.66 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.223 0 CA-C-N 120.498 1.499 . . . . 0.0 108.676 162.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -59.68 -39.79 85.7 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-O 117.607 -1.187 . . . . 0.0 112.826 178.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -63.91 -38.63 91.81 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 122.355 2.343 . . . . 0.0 115.121 171.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -83.46 -46.81 12.07 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 121.362 1.892 . . . . 0.0 113.258 175.313 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.19 4.64 5.37 Favored 'General case' 0 CA--C 1.555 1.145 0 N-CA-C 116.24 1.941 . . . . 0.0 116.24 166.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.88 -37.8 73.04 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 118.202 -2.811 . . . . 0.0 112.597 148.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 51.6 mttp -77.67 60.33 2.17 Favored 'General case' 0 CA--C 1.547 0.863 0 CA-C-O 122.812 1.292 . . . . 0.0 111.963 -175.267 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -65.38 -19.96 66.18 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 113.657 0.984 . . . . 0.0 113.657 172.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -64.08 -42.93 96.78 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 124.674 1.189 . . . . 0.0 112.225 163.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 -93.1 69.48 4.43 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-O 126.196 2.903 . . . . 0.0 110.097 177.119 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.9 -37.83 69.41 Favored 'General case' 0 CA--C 1.533 0.317 1 CA-C-N 107.382 -4.463 . . . . 0.0 114.517 -171.54 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 60.7 mtp -62.46 -37.09 84.57 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.117 0.967 . . . . 0.0 113.461 175.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 74.2 mt -85.48 -42.75 14.18 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 123.268 0.627 . . . . 0.0 112.079 -175.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.0 tmtt? -62.34 -36.87 83.57 Favored 'General case' 0 CA--C 1.554 1.103 0 CA-C-O 117.54 -1.219 . . . . 0.0 114.12 163.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.58 -25.6 63.14 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 123.882 3.037 . . . . 0.0 110.969 170.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.5 t -61.43 -39.46 90.86 Favored 'General case' 0 CA--C 1.552 1.035 0 CA-C-N 121.667 2.03 . . . . 0.0 112.98 166.32 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.3 t -49.07 -57.26 6.88 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.175 0.59 . . . . 0.0 110.971 159.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.296 6.0 m-30 -72.43 -19.19 61.63 Favored 'General case' 0 CA--C 1.557 1.239 0 N-CA-C 114.458 1.281 . . . . 0.0 114.458 -173.738 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -59.47 -47.73 84.37 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.463 1.105 . . . . 0.0 112.89 156.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.76 -37.77 92.91 Favored Glycine 0 N--CA 1.472 1.096 0 N-CA-C 115.124 0.81 . . . . 0.0 115.124 171.092 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.44 -47.05 80.55 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 118.063 0.932 . . . . 0.0 112.928 171.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -77.15 61.33 2.05 Favored 'General case' 0 CA--C 1.551 1.014 0 CA-C-O 122.829 1.299 . . . . 0.0 113.741 173.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 37.0 ttp180 -88.36 47.64 1.53 Allowed 'General case' 0 CA--C 1.553 1.074 0 CA-C-O 122.62 1.2 . . . . 0.0 112.269 178.027 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.97 -20.68 66.28 Favored 'General case' 0 CA--C 1.55 0.978 0 O-C-N 120.667 -1.27 . . . . 0.0 113.897 -172.348 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -65.27 -36.35 83.85 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 114.618 1.34 . . . . 0.0 114.618 168.367 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 50.28 39.49 20.15 Favored 'General case' 0 CA--C 1.551 1.015 0 N-CA-C 117.353 2.353 . . . . 0.0 117.353 -169.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -79.13 -171.11 2.51 Favored 'General case' 0 CA--C 1.555 1.143 0 O-C-N 119.999 -1.688 . . . . 0.0 112.235 162.375 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.0 p -75.35 115.85 15.45 Favored 'General case' 0 CA--C 1.542 0.665 0 O-C-N 119.197 -2.189 . . . . 0.0 110.932 168.181 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.3 p -62.65 -26.11 68.47 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 116.118 1.896 . . . . 0.0 116.118 -166.153 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.18 -25.18 65.11 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 113.536 0.939 . . . . 0.0 113.536 172.013 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -75.74 -45.91 33.89 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 120.773 1.624 . . . . 0.0 110.903 174.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.477 ' O ' HD12 ' A' ' 41' ' ' ILE . 67.0 ttt180 -57.19 -48.62 78.3 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.433 169.38 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.429 ' HA ' ' HB ' ' A' ' 41' ' ' ILE 0.296 . . -77.96 -10.04 59.39 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 117.369 2.359 . . . . 0.0 117.369 174.581 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.76 -34.76 78.6 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 121.205 1.82 . . . . 0.0 112.825 153.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.3 mpp_? -69.35 -43.19 74.14 Favored 'General case' 0 CA--C 1.552 1.045 0 N-CA-C 114.259 1.207 . . . . 0.0 114.259 165.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.538 HD13 ' CE2' ' A' ' 51' ' ' PHE 0.26 2.4 mp -60.59 -56.11 19.95 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 N-CA-C 116.645 2.091 . . . . 0.0 116.645 169.66 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -11.05 68.56 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 130.626 3.57 . . . . 0.0 118.588 -173.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 65.3 mt -71.36 -42.36 73.8 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.738 0 CA-C-N 108.93 -3.759 . . . . 0.0 110.692 166.2 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -161.97 164.28 35.26 Favored Glycine 0 CA--C 1.545 1.966 0 N-CA-C 115.99 1.156 . . . . 0.0 115.99 179.092 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_exo -53.25 -46.77 31.45 Favored 'Trans proline' 0 C--N 1.361 1.2 0 C-N-CA 125.207 3.938 . . . . 0.0 115.669 174.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.0 mtpm? -64.02 -31.97 73.34 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 123.962 0.905 . . . . 0.0 113.193 174.384 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 21.6 t -66.11 -60.69 2.57 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-O 117.374 -1.298 . . . . 0.0 109.767 173.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -49.67 -39.29 14.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 CA-C-N 120.877 1.671 . . . . 0.0 115.105 171.405 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.5 tptp -64.68 -52.36 57.63 Favored 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 113.955 1.094 . . . . 0.0 113.955 173.065 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.38 -48.7 62.46 Favored 'General case' 0 CA--C 1.549 0.941 0 CA-C-N 120.02 1.282 . . . . 0.0 110.608 170.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.538 ' CE2' HD13 ' A' ' 41' ' ' ILE . 2.7 t80 -55.47 -52.53 63.32 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.83 1.252 . . . . 0.0 112.274 175.126 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 32.4 mmtt -60.82 -41.79 96.43 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 115.246 1.572 . . . . 0.0 115.246 178.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -68.97 -42.4 76.64 Favored 'General case' 0 CA--C 1.55 0.971 0 CA-C-O 121.773 0.797 . . . . 0.0 113.125 178.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 19.4 m -67.02 -29.3 69.08 Favored 'General case' 0 CA--C 1.555 1.159 0 N-CA-C 114.904 1.446 . . . . 0.0 114.904 166.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 45.7 t -58.8 -41.71 87.39 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-N 122.268 2.304 . . . . 0.0 112.647 165.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -54.86 -47.96 73.55 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-O 118.35 -0.833 . . . . 0.0 112.327 166.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 24.3 mm -57.03 -49.36 79.69 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.142 0 N-CA-C 114.98 1.474 . . . . 0.0 114.98 168.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.3 -43.56 71.22 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 113.723 1.009 . . . . 0.0 113.723 174.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -67.3 -36.49 81.62 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 113.512 0.931 . . . . 0.0 113.512 173.243 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -64.4 -42.66 95.97 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 120.205 1.366 . . . . 0.0 113.046 168.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.426 ' O ' ' HB2' ' A' ' 65' ' ' GLN . 76.5 t -60.35 -39.1 79.92 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.77 0 CA-C-N 119.187 0.903 . . . . 0.0 112.455 172.541 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 23.0 mmt180 -68.95 -36.89 78.46 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 115.508 1.67 . . . . 0.0 115.508 167.118 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.93 -47.81 64.81 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 121.319 1.872 . . . . 0.0 113.51 171.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -83.05 57.95 4.17 Favored 'General case' 0 CA--C 1.552 1.048 0 O-C-N 120.397 -1.439 . . . . 0.0 112.146 175.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.426 ' HB2' ' O ' ' A' ' 61' ' ' VAL . 13.9 tt0 -137.61 -51.79 0.63 Allowed 'General case' 0 CA--C 1.545 0.774 0 O-C-N 120.989 -1.069 . . . . 0.0 113.252 -174.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . . . . . . . . 1 C--N 1.233 -4.457 0 CA-C-N 119.858 1.208 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 33.8 mmt . . . . . 0 CA--C 1.545 0.774 0 N-CA-C 113.494 0.924 . . . . 0.0 113.494 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 63.2 mt -81.59 70.54 8.49 Favored 'General case' 0 CA--C 1.552 1.032 0 CA-C-O 123.596 1.665 . . . . 0.0 113.248 -172.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -61.23 -37.9 84.71 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 115.13 1.53 . . . . 0.0 115.13 -179.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 42.7 mmtt -62.55 -29.28 70.46 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 114.226 1.195 . . . . 0.0 114.226 168.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 64.3 mmtt -79.23 -37.66 37.54 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-O 116.773 -1.584 . . . . 0.0 114.626 176.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.6 pt -56.58 -43.2 77.99 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.247 0 CA-C-N 122.373 2.351 . . . . 0.0 111.348 163.444 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -58.42 -56.39 22.79 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-O 116.482 -1.723 . . . . 0.0 111.035 171.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -58.43 -31.07 67.4 Favored 'General case' 0 CA--C 1.554 1.097 0 CA-C-N 123.913 3.051 . . . . 0.0 116.003 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -82.7 -62.86 1.49 Allowed 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 121.801 2.091 . . . . 0.0 111.941 173.403 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.52 4.57 1.32 Allowed 'General case' 0 CA--C 1.556 1.193 0 N-CA-C 117.422 2.379 . . . . 0.0 117.422 172.144 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.96 -34.17 26.51 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 123.54 2.882 . . . . 0.0 115.22 155.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 34.2 mtmm -62.74 -45.07 94.43 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 114.474 1.287 . . . . 0.0 114.474 -170.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER 62.19 -22.86 0.05 OUTLIER 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 118.61 2.819 . . . . 0.0 118.61 165.581 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.9 mttp -61.59 -40.3 94.3 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.028 1.331 . . . . 0.0 109.797 160.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -89.13 58.95 4.74 Favored 'General case' 0 CA--C 1.548 0.901 0 CA-C-O 123.707 1.718 . . . . 0.0 111.741 169.609 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.73 -39.52 94.35 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 112.73 -2.032 . . . . 0.0 114.225 -177.344 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 55.3 ttp -64.34 -30.47 71.51 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.613 1.165 . . . . 0.0 112.682 174.189 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 58.0 mt -87.19 -39.77 15.18 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 121.609 -0.682 . . . . 0.0 111.653 -178.109 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.34 -42.96 61.62 Favored 'General case' 0 CA--C 1.556 1.193 0 N-CA-C 115.122 1.527 . . . . 0.0 115.122 153.518 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.41 -34.24 77.31 Favored 'General case' 0 CA--C 1.553 1.082 0 O-C-N 118.855 -2.403 . . . . 0.0 111.253 171.117 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 8.7 t -61.81 -38.21 87.28 Favored 'General case' 0 CA--C 1.552 1.039 0 CA-C-N 120.526 1.512 . . . . 0.0 113.959 168.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 2.1 t -47.37 -54.88 10.04 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.565 0.746 . . . . 0.0 110.353 158.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.419 ' O ' ' HD2' ' A' ' 27' ' ' TYR 0.295 6.5 m-30 -72.38 -20.35 61.46 Favored 'General case' 0 CA--C 1.553 1.062 0 N-CA-C 114.512 1.301 . . . . 0.0 114.512 -174.822 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -58.92 -46.85 86.94 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 119.414 1.006 . . . . 0.0 113.241 156.269 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.07 -40.88 99.14 Favored Glycine 0 CA--C 1.535 1.314 0 N-CA-C 115.2 0.84 . . . . 0.0 115.2 170.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.43 -41.81 93.13 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 113.732 1.012 . . . . 0.0 113.732 174.3 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.419 ' HD2' ' O ' ' A' ' 23' ' ' TYR . 51.7 m-85 -71.52 72.47 0.72 Allowed 'General case' 0 CA--C 1.549 0.932 0 CA-C-O 123.707 1.717 . . . . 0.0 113.243 170.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 58.6 ttt85 -83.05 113.52 20.65 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-N 113.587 -1.642 . . . . 0.0 112.394 172.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 12.5 p30 -85.87 -112.02 0.04 OUTLIER 'General case' 0 CA--C 1.553 1.08 0 N-CA-C 113.754 1.02 . . . . 0.0 113.754 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -78.26 44.68 0.51 Allowed 'General case' 0 CA--C 1.554 1.101 0 CA-C-N 122.726 2.512 . . . . 0.0 115.391 -174.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 51.7 60.11 4.08 Favored 'General case' 0 CA--C 1.552 1.054 0 N-CA-C 116.818 2.155 . . . . 0.0 116.818 -177.511 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -71.99 154.53 41.11 Favored 'General case' 0 CA--C 1.554 1.118 0 N-CA-C 115.343 1.609 . . . . 0.0 115.343 178.362 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 32.1 m -78.99 109.83 13.65 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 120.311 -1.493 . . . . 0.0 110.747 173.151 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 54.1 m -59.34 -42.86 92.47 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 116.649 2.092 . . . . 0.0 116.649 -163.443 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -77.82 -19.2 55.36 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 120.342 1.428 . . . . 0.0 114.121 177.421 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.0 tm-20 -75.03 -48.4 24.24 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 120.479 1.49 . . . . 0.0 109.851 167.223 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.545 ' O ' HD12 ' A' ' 41' ' ' ILE . 20.6 ttt180 -53.04 -49.99 65.18 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.93 1.292 . . . . 0.0 111.619 171.165 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -91.57 11.31 24.64 Favored 'General case' 0 CA--C 1.55 0.973 0 N-CA-C 116.699 2.111 . . . . 0.0 116.699 173.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.14 -34.1 65.89 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 119.015 -2.303 . . . . 0.0 112.192 144.525 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 28.2 mmt180 -69.28 -47.23 65.18 Favored 'General case' 0 CA--C 1.55 0.979 0 O-C-N 121.654 -0.654 . . . . 0.0 111.847 169.543 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.545 HD12 ' O ' ' A' ' 37' ' ' ARG . 3.4 mp -70.46 83.76 0.23 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.945 0 CA-C-O 127.224 3.393 . . . . 0.0 112.49 165.045 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.76 -4.79 58.87 Favored 'General case' 0 CA--C 1.548 0.892 1 CA-C-N 107.001 -4.636 . . . . 0.0 115.215 -169.62 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 63.1 mt -61.38 -36.97 76.49 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.949 0 N-CA-C 114.898 1.444 . . . . 0.0 114.898 -160.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -173.31 162.25 33.37 Favored Glycine 0 CA--C 1.547 2.034 0 CA-C-N 120.606 1.548 . . . . 0.0 116.568 174.362 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_exo -53.17 -48.67 20.82 Favored 'Trans proline' 0 C--N 1.361 1.229 0 C-N-CA 125.138 3.892 . . . . 0.0 115.52 173.495 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 32.5 mmtt -66.44 -25.34 66.7 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 114.038 1.125 . . . . 0.0 114.038 172.551 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 11.1 t -67.22 -60.2 2.8 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 117.232 -1.366 . . . . 0.0 109.266 171.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -48.7 -42.72 13.34 Favored 'Isoleucine or valine' 0 C--N 1.353 0.741 0 CA-C-N 120.734 1.607 . . . . 0.0 114.993 170.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.63 -54.25 45.38 Favored 'General case' 0 CA--C 1.555 1.151 0 N-CA-C 114.771 1.397 . . . . 0.0 114.771 175.062 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.21 -47.12 72.47 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.772 1.229 . . . . 0.0 110.848 169.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.537 ' CE2' HD13 ' A' ' 41' ' ' ILE . 4.0 t80 -55.5 -53.41 56.71 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.385 1.474 . . . . 0.0 112.699 176.594 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 52.2 tptt -64.47 -37.7 88.45 Favored 'General case' 0 CA--C 1.55 0.952 0 CA-C-N 118.962 0.801 . . . . 0.0 113.046 179.296 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -61.91 -50.52 71.84 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 119.838 1.199 . . . . 0.0 113.328 172.3 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 2.7 m -60.43 -30.99 69.98 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 115.237 1.569 . . . . 0.0 115.237 168.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 53.9 t -58.33 -44.85 88.87 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 122.034 2.197 . . . . 0.0 112.622 165.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -57.83 -41.51 82.43 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 113.939 1.089 . . . . 0.0 113.939 169.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.0 mp -64.77 -42.83 96.04 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 N-CA-C 114.859 1.429 . . . . 0.0 114.859 168.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.1 -44.89 79.5 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 123.938 0.895 . . . . 0.0 112.984 171.42 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -61.9 -42.54 99.19 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.106 0.962 . . . . 0.0 113.305 169.494 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -60.03 -54.16 49.29 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-O 118.164 -0.922 . . . . 0.0 113.347 172.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 4.5 p -68.61 -22.87 27.28 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.959 0 CA-C-N 120.362 1.437 . . . . 0.0 113.47 179.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.45 -45.3 94.84 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 120.886 -1.134 . . . . 0.0 112.658 166.064 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -84.65 -53.74 5.18 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 114.01 1.115 . . . . 0.0 114.01 177.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -80.8 68.22 6.96 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-O 123.383 1.563 . . . . 0.0 112.52 -175.275 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -90.98 130.98 36.85 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 114.582 -1.19 . . . . 0.0 113.745 175.173 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . . . . . . . . 1 C--N 1.23 -4.598 0 CA-C-N 117.942 0.337 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.8 mtp . . . . . 0 CA--C 1.545 0.771 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 37.4 mt 55.8 -84.07 0.01 OUTLIER 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 126.703 2.001 . . . . 0.0 114.472 176.532 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -65.98 -46.1 79.25 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.299 1.44 . . . . 0.0 111.343 -179.025 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 60.0 mtmt -63.12 -25.64 68.45 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 113.524 0.935 . . . . 0.0 113.524 172.589 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 12.7 tptp -71.31 -44.32 65.38 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.212 1.005 . . . . 0.0 112.975 176.048 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.7 mp -58.28 -49.99 79.99 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.357 0 CA-C-N 119.877 1.217 . . . . 0.0 109.748 166.551 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -60.71 -50.19 74.5 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 115.155 -2.355 . . . . 0.0 113.815 -178.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . 0.267 0.1 OUTLIER -71.66 -17.55 62.24 Favored 'General case' 0 CA--C 1.545 0.762 1 CA-C-N 126.004 4.002 . . . . 0.0 114.516 175.606 . . . . . . . . 4 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -78.91 -67.13 0.78 Allowed 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 122.216 2.28 . . . . 0.0 112.146 164.465 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.35 -6.66 31.22 Favored 'General case' 0 CA--C 1.551 0.999 0 N-CA-C 118.448 2.758 . . . . 0.0 118.448 178.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.62 -46.14 19.96 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 124.941 3.519 . . . . 0.0 112.199 156.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 46.5 mmtm -85.0 68.35 10.53 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-O 123.3 1.524 . . . . 0.0 111.0 -175.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -52.58 -10.61 0.16 Allowed 'General case' 0 CA--C 1.55 0.961 0 N-CA-C 116.451 2.019 . . . . 0.0 116.451 175.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -59.98 -31.0 69.5 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.476 1.11 . . . . 0.0 112.81 161.38 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 16.8 m-30 -82.79 59.04 4.59 Favored 'General case' 0 CA--C 1.549 0.941 0 CA-C-O 122.901 1.334 . . . . 0.0 110.361 172.155 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.23 -51.69 67.18 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 115.885 1.809 . . . . 0.0 115.885 -164.564 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 34.7 ttm -66.99 -32.71 74.12 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.418 1.087 . . . . 0.0 112.671 176.485 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 69.4 mt -82.37 -37.79 25.11 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.482 0.713 . . . . 0.0 112.524 -175.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -69.59 -29.45 66.99 Favored 'General case' 0 CA--C 1.546 0.804 0 O-C-N 120.742 -1.224 . . . . 0.0 112.084 164.441 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 47.5 tttm -65.76 -33.84 76.8 Favored 'General case' 0 CA--C 1.551 0.992 0 CA-C-N 121.784 2.084 . . . . 0.0 111.176 166.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.2 t -60.63 -40.54 92.31 Favored 'General case' 0 CA--C 1.553 1.072 0 CA-C-N 120.391 1.45 . . . . 0.0 113.229 167.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -48.77 -55.98 9.95 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.772 0.829 . . . . 0.0 111.58 160.376 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.281 10.0 m-30 -73.64 -22.43 59.99 Favored 'General case' 0 CA--C 1.551 0.994 0 N-CA-C 115.004 1.483 . . . . 0.0 115.004 -173.308 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -58.04 -49.25 77.52 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.607 1.163 . . . . 0.0 111.025 158.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.19 -33.63 87.43 Favored Glycine 0 CA--C 1.534 1.254 0 N-CA-C 116.199 1.24 . . . . 0.0 116.199 171.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.01 -38.59 89.21 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 118.84 1.32 . . . . 0.0 112.66 169.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -72.18 74.71 0.96 Allowed 'General case' 0 CA--C 1.556 1.204 0 CA-C-O 122.837 1.304 . . . . 0.0 111.482 164.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.88 129.54 36.35 Favored 'General case' 0 CA--C 1.549 0.91 0 O-C-N 120.381 -1.45 . . . . 0.0 113.173 176.468 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -86.87 140.36 29.73 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 123.987 0.915 . . . . 0.0 112.762 -178.286 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -64.77 -29.62 70.6 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 115.07 1.507 . . . . 0.0 115.07 176.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -92.2 -59.3 2.13 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.071 0.948 . . . . 0.0 111.82 -172.254 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -77.15 157.6 30.88 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-O 122.536 1.16 . . . . 0.0 113.932 173.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.7 t -95.91 156.67 16.23 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 121.063 -1.023 . . . . 0.0 111.003 159.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 90.4 m -58.53 -37.92 76.65 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 115.269 1.581 . . . . 0.0 115.269 -166.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.5 mp0 -68.41 -48.12 65.47 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.645 1.178 . . . . 0.0 114.116 -169.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.2 mp0 -67.23 -43.87 80.91 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.134 0.974 . . . . 0.0 112.666 176.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.55 ' O ' HD12 ' A' ' 41' ' ' ILE . 41.3 ttt180 -56.45 -48.53 76.86 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 114.933 -1.031 . . . . 0.0 111.715 169.308 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.409 ' HA ' ' HB ' ' A' ' 41' ' ' ILE . . . -76.97 -18.02 58.51 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 117.479 2.4 . . . . 0.0 117.479 175.369 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.99 -31.52 71.89 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-N 120.784 1.629 . . . . 0.0 112.882 158.502 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 43.2 ttp180 -74.27 -45.58 46.87 Favored 'General case' 0 CA--C 1.556 1.173 0 CA-C-O 117.511 -1.233 . . . . 0.0 113.897 165.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.553 HD13 ' CE2' ' A' ' 51' ' ' PHE . 2.0 mp -54.57 -52.82 36.97 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.195 0 CA-C-N 122.521 2.419 . . . . 0.0 115.928 168.016 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.8 ttpm? -9.47 69.89 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 130.518 3.527 . . . . 0.0 118.138 177.528 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.406 HG13 ' O ' ' A' ' 41' ' ' ILE . 66.8 mt -73.52 -42.1 56.05 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.676 1 CA-C-N 108.045 -4.161 . . . . 0.0 110.039 163.177 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -157.14 158.93 29.29 Favored Glycine 0 CA--C 1.545 1.959 0 CA-C-O 118.194 -1.337 . . . . 0.0 115.339 178.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -52.19 -44.58 45.09 Favored 'Trans proline' 0 C--N 1.361 1.188 0 C-N-CA 125.065 3.843 . . . . 0.0 115.55 172.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 28.9 tttm -66.83 -30.81 71.09 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 123.966 0.906 . . . . 0.0 112.255 176.418 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 35.8 t -66.64 -60.93 2.27 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-O 117.294 -1.336 . . . . 0.0 110.107 172.269 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -48.29 -39.85 9.64 Favored 'Isoleucine or valine' 0 C--N 1.353 0.752 0 CA-C-N 120.954 1.707 . . . . 0.0 114.85 172.245 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.4 tptp -70.76 -46.38 63.06 Favored 'General case' 0 CA--C 1.554 1.124 0 CA-C-O 117.092 -1.433 . . . . 0.0 114.656 174.362 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -49.42 -49.21 45.99 Favored 'General case' 0 N--CA 1.485 1.294 0 CA-C-N 122.689 2.495 . . . . 0.0 110.539 164.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.553 ' CE2' HD13 ' A' ' 41' ' ' ILE . 3.3 t80 -55.76 -57.5 11.77 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.24 1.416 . . . . 0.0 112.658 176.223 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 54.2 tptt -62.52 -37.67 86.98 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 113.799 1.037 . . . . 0.0 113.799 -179.392 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -73.99 -38.52 64.1 Favored 'General case' 0 CA--C 1.547 0.848 0 O-C-N 120.6 -1.312 . . . . 0.0 113.764 176.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.6 m -63.77 -32.68 74.26 Favored 'General case' 0 CA--C 1.549 0.935 0 O-C-N 120.632 -1.292 . . . . 0.0 114.35 163.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 50.3 t -58.79 -40.69 84.76 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-N 120.785 1.63 . . . . 0.0 112.955 166.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -56.44 -47.97 78.01 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-O 117.677 -1.154 . . . . 0.0 112.63 166.574 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 34.9 mm -56.2 -51.4 63.26 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 CA-C-N 120.477 1.489 . . . . 0.0 113.72 169.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.43 -48.21 74.77 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 114.313 1.227 . . . . 0.0 114.313 177.524 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 66.8 m-80 -70.23 -30.41 67.48 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 114.033 1.123 . . . . 0.0 114.033 174.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -62.4 -48.62 78.93 Favored 'General case' 0 CA--C 1.547 0.847 0 CA-C-N 119.623 1.101 . . . . 0.0 112.195 167.125 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 97.0 t -63.5 -34.49 67.79 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.892 0 C-N-CA 123.88 0.872 . . . . 0.0 112.749 173.077 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -62.22 -55.72 25.71 Favored 'General case' 0 CA--C 1.547 0.863 0 O-C-N 120.834 -1.166 . . . . 0.0 112.489 168.049 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.99 -21.39 66.84 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 115.234 1.568 . . . . 0.0 115.234 179.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -61.98 -26.83 68.45 Favored 'General case' 0 CA--C 1.55 0.951 0 N-CA-C 113.998 1.11 . . . . 0.0 113.998 165.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -98.0 -48.67 5.05 Favored 'General case' 0 CA--C 1.546 0.795 0 O-C-N 120.458 -1.401 . . . . 0.0 114.335 -175.561 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . . . . . . . . 1 C--N 1.233 -4.488 0 CA-C-N 120.204 1.365 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.4 mtp . . . . . 0 CA--C 1.545 0.77 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.425 ' O ' HD12 ' A' ' 6' ' ' ILE . 84.1 mt -131.32 134.47 46.38 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-O 123.37 1.557 . . . . 0.0 114.742 -168.784 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -56.15 -37.22 69.23 Favored 'General case' 0 CA--C 1.55 0.959 0 CA-C-N 112.737 -2.029 . . . . 0.0 112.487 173.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 20.4 tptt -59.11 -38.23 79.08 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 125.409 1.483 . . . . 0.0 113.875 169.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -71.95 -38.01 69.88 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 120.493 -1.379 . . . . 0.0 113.382 176.599 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.425 HD12 ' O ' ' A' ' 2' ' ' LEU . 4.7 mp -58.82 -47.72 88.44 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.293 0 CA-C-N 120.07 1.305 . . . . 0.0 110.377 166.558 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -53.76 -58.06 8.61 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-O 117.304 -1.332 . . . . 0.0 111.253 173.489 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -71.45 -7.83 49.94 Favored 'General case' 0 CA--C 1.555 1.147 0 CA-C-N 123.541 2.882 . . . . 0.0 115.124 -175.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -86.85 -69.41 0.68 Allowed 'General case' 0 CA--C 1.548 0.882 0 O-C-N 119.555 -1.966 . . . . 0.0 111.792 156.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.46 0.95 5.67 Favored 'General case' 0 CA--C 1.557 1.22 0 N-CA-C 118.622 2.823 . . . . 0.0 118.622 -178.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.39 -35.3 27.83 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 117.569 -3.207 . . . . 0.0 113.734 159.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 39.8 mmtm -72.12 -41.63 67.0 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 114.513 1.301 . . . . 0.0 114.513 -171.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 62.09 -26.96 0.06 Allowed 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 117.467 2.395 . . . . 0.0 117.467 173.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.3 mtmm -60.06 -36.78 78.09 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.885 1.674 . . . . 0.0 112.514 166.059 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -77.01 62.33 2.13 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-O 123.156 1.455 . . . . 0.0 111.739 167.193 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.15 -50.8 72.64 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 112.825 -1.989 . . . . 0.0 115.432 -167.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 32.6 ttm -65.64 -29.82 70.44 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.938 0.895 . . . . 0.0 112.494 177.124 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 56.3 mt -85.52 -41.69 15.09 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.787 0.835 . . . . 0.0 112.097 -174.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.62 -28.2 69.46 Favored 'General case' 0 CA--C 1.548 0.894 0 O-C-N 120.338 -1.476 . . . . 0.0 112.626 162.295 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.4 tmtm? -65.7 -36.82 84.73 Favored 'General case' 0 CA--C 1.552 1.025 0 CA-C-N 121.786 2.085 . . . . 0.0 111.56 166.469 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 97.3 m -54.34 -41.98 69.71 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 121.838 2.108 . . . . 0.0 114.022 164.434 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -50.01 -54.46 20.0 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.243 0.617 . . . . 0.0 111.594 164.042 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.264 5.7 m-30 -73.47 -21.43 60.44 Favored 'General case' 0 CA--C 1.55 0.972 0 N-CA-C 113.858 1.059 . . . . 0.0 113.858 -175.225 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -60.59 -43.4 97.43 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 119.15 0.886 . . . . 0.0 113.123 159.225 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.15 -40.92 95.14 Favored Glycine 0 CA--C 1.535 1.335 0 CA-C-O 119.088 -0.84 . . . . 0.0 115.141 171.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.49 -48.48 69.69 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 118.609 1.205 . . . . 0.0 113.763 175.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -80.32 55.46 2.24 Favored 'General case' 0 CA--C 1.549 0.933 0 CA-C-O 122.999 1.38 . . . . 0.0 112.494 174.505 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 58.7 ttp180 -75.02 120.05 20.02 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 114.989 -1.005 . . . . 0.0 112.174 178.27 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 21.1 m120 -68.86 101.53 1.37 Allowed 'General case' 0 CA--C 1.546 0.805 0 CA-C-O 121.898 0.856 . . . . 0.0 110.607 163.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -69.25 64.06 0.15 Allowed 'General case' 0 CA--C 1.548 0.873 0 CA-C-O 123.638 1.685 . . . . 0.0 115.135 -172.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -123.94 -73.43 0.64 Allowed 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 113.531 -1.668 . . . . 0.0 111.694 173.379 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 52.6 tt0 -75.2 152.47 38.37 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 124.421 1.089 . . . . 0.0 113.391 168.011 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.1 p -74.57 141.66 44.75 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 121.052 -1.03 . . . . 0.0 113.084 172.188 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 31.5 p -64.54 -31.03 72.08 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 116.004 1.853 . . . . 0.0 116.004 -164.556 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -69.03 -28.84 66.93 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 114.731 1.382 . . . . 0.0 114.731 179.379 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.1 mp0 -72.24 -45.48 60.04 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 120.383 1.447 . . . . 0.0 111.671 172.484 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.525 ' O ' HD12 ' A' ' 41' ' ' ILE . 35.9 ttm180 -60.52 -47.89 84.16 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 113.764 -1.562 . . . . 0.0 111.355 173.14 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -80.08 -2.46 44.48 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 116.604 2.076 . . . . 0.0 116.604 171.452 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.68 -30.14 67.74 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 119.407 -2.058 . . . . 0.0 112.66 151.345 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -75.17 -39.21 60.47 Favored 'General case' 0 CA--C 1.549 0.92 0 O-C-N 120.362 -1.461 . . . . 0.0 114.715 162.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.533 HD13 ' CE2' ' A' ' 51' ' ' PHE 0.305 3.2 mp -69.81 82.4 0.18 Allowed 'Isoleucine or valine' 0 CA--C 1.552 1.037 0 CA-C-O 127.105 3.336 . . . . 0.0 113.705 168.379 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 55.2 mttp -95.38 16.83 15.81 Favored 'General case' 0 CA--C 1.547 0.831 1 CA-C-N 107.646 -4.343 . . . . 0.0 115.652 -176.53 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 82.5 mt -64.41 -36.85 78.41 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.917 0 CA-C-N 119.803 1.183 . . . . 0.0 113.249 -172.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -178.58 163.1 30.75 Favored Glycine 0 CA--C 1.545 1.909 0 CA-C-O 118.28 -1.289 . . . . 0.0 115.452 171.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo -52.51 -44.94 43.35 Favored 'Trans proline' 0 C--N 1.36 1.177 0 C-N-CA 124.983 3.789 . . . . 0.0 115.489 172.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 51.0 tttm -68.81 -27.86 66.24 Favored 'General case' 0 CA--C 1.55 0.981 0 C-N-CA 124.235 1.014 . . . . 0.0 112.413 176.559 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 37.9 t -68.56 -56.71 7.39 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-O 117.332 -1.318 . . . . 0.0 111.685 170.5 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -52.11 -38.72 24.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 CA-C-N 121.244 1.838 . . . . 0.0 115.213 170.18 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 58.3 tttm -55.06 -59.71 4.38 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 123.75 0.82 . . . . 0.0 113.147 168.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.33 -48.85 65.23 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 124.4 1.08 . . . . 0.0 111.786 172.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.533 ' CE2' HD13 ' A' ' 41' ' ' ILE . 2.5 t80 -57.06 -54.2 49.45 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.957 1.303 . . . . 0.0 112.807 177.308 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.434 ' O ' ' HD1' ' A' ' 56' ' ' TYR . 12.0 mmtt -64.51 -41.3 96.5 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 -179.417 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -65.97 -43.66 87.2 Favored 'General case' 0 CA--C 1.547 0.848 0 O-C-N 121.686 -0.634 . . . . 0.0 112.641 175.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 6.8 m -66.79 -25.75 66.61 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 115.585 1.698 . . . . 0.0 115.585 167.118 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 41.9 t -60.32 -38.21 82.99 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 122.542 2.428 . . . . 0.0 112.01 163.257 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.434 ' HD1' ' O ' ' A' ' 52' ' ' LYS . 36.5 m-85 -61.03 -41.69 97.05 Favored 'General case' 0 CA--C 1.546 0.804 0 O-C-N 121.05 -1.032 . . . . 0.0 113.239 166.447 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 25.2 mm -58.44 -45.28 89.94 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 CA-C-N 120.509 1.504 . . . . 0.0 114.269 166.512 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.541 ' O ' ' HG2' ' A' ' 62' ' ' ARG . . . -51.18 -50.45 58.98 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.17 0.588 . . . . 0.0 112.126 172.604 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -61.21 -45.62 93.8 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 172.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -57.91 -42.43 84.69 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 124.685 1.194 . . . . 0.0 112.93 174.471 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 78.5 t -66.78 -53.02 38.76 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 CA-C-O 117.275 -1.345 . . . . 0.0 112.593 170.371 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.541 ' HG2' ' O ' ' A' ' 58' ' ' ALA . 68.6 mmt-85 -64.51 -27.88 69.28 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 121.633 2.015 . . . . 0.0 114.364 -177.246 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.31 -28.74 66.52 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 119.632 1.105 . . . . 0.0 113.907 168.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -89.05 -47.46 8.1 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 123.96 0.904 . . . . 0.0 112.209 175.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -140.7 -48.15 0.42 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.87 -1.144 . . . . 0.0 113.352 -178.452 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . . . . . . . . 1 C--N 1.234 -4.452 0 CA-C-N 120.388 1.449 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.0 mmm . . . . . 0 CA--C 1.543 0.688 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 85.3 mt -124.03 116.37 22.72 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-O 123.174 1.464 . . . . 0.0 113.98 -171.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 21.7 mp0 -60.35 -34.96 74.59 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 114.082 -1.417 . . . . 0.0 113.565 170.4 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -59.63 -36.27 76.03 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.437 1.095 . . . . 0.0 112.943 170.19 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 61.3 mmtt -78.77 -29.04 44.83 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-O 116.568 -1.682 . . . . 0.0 114.87 173.022 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 10.6 mt -57.9 -45.4 87.59 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 CA-C-N 122.893 2.588 . . . . 0.0 109.226 162.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -59.55 -63.17 1.4 Allowed 'General case' 0 C--O 1.218 -0.598 0 CA-C-O 116.599 -1.667 . . . . 0.0 111.236 172.216 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -63.05 -24.41 67.9 Favored 'General case' 0 CA--C 1.556 1.205 0 CA-C-N 124.906 3.503 . . . . 0.0 115.001 -175.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -83.58 -62.81 1.48 Allowed 'General case' 0 CA--C 1.547 0.847 0 O-C-N 119.609 -1.932 . . . . 0.0 111.957 169.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -79.61 17.69 0.85 Allowed 'General case' 0 CA--C 1.558 1.263 0 N-CA-C 118.571 2.804 . . . . 0.0 118.571 172.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -84.57 -53.9 5.09 Favored 'General case' 0 N--CA 1.473 0.719 0 O-C-N 117.439 -3.288 . . . . 0.0 114.893 159.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.7 mttp -70.93 -27.92 64.12 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 114.467 1.284 . . . . 0.0 114.467 -166.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 61.46 -14.84 0.04 OUTLIER 'General case' 0 CA--C 1.552 1.023 0 N-CA-C 117.344 2.35 . . . . 0.0 117.344 171.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -55.26 -51.31 67.05 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.957 1.703 . . . . 0.0 112.991 169.367 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -80.43 66.63 6.0 Favored 'General case' 0 CA--C 1.552 1.032 0 CA-C-O 125.188 2.423 . . . . 0.0 112.07 167.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.68 -39.98 78.38 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 109.716 -3.402 . . . . 0.0 115.184 -174.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 59.1 mtp -66.17 -31.82 72.89 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 176.458 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 69.0 mt -85.88 -41.96 14.53 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.665 0.786 . . . . 0.0 111.843 -176.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.6 tmtt? -56.16 -39.03 71.71 Favored 'General case' 0 CA--C 1.556 1.199 0 N-CA-C 114.554 1.316 . . . . 0.0 114.554 156.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.7 tmtm? -66.72 -31.41 72.04 Favored 'General case' 0 CA--C 1.551 0.983 0 O-C-N 118.752 -2.468 . . . . 0.0 111.767 172.467 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.1 t -62.95 -37.3 86.51 Favored 'General case' 0 CA--C 1.553 1.089 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 166.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.3 t -46.85 -55.49 7.88 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 118.972 0.805 . . . . 0.0 110.503 158.234 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.319 5.8 m-30 -71.09 -23.18 62.07 Favored 'General case' 0 CA--C 1.556 1.202 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 -175.042 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -56.66 -44.57 81.51 Favored 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 114.63 1.344 . . . . 0.0 114.63 157.389 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.9 -45.41 93.67 Favored Glycine 0 CA--C 1.534 1.275 0 CA-C-O 119.678 -0.512 . . . . 0.0 114.227 168.057 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.17 -50.58 67.59 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 115.035 1.494 . . . . 0.0 115.035 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . 0.348 2.2 p90 -76.76 63.93 2.25 Favored 'General case' 0 CA--C 1.554 1.104 0 CA-C-N 122.901 2.591 . . . . 0.0 114.466 177.765 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 54.8 ttt-85 -92.19 131.9 37.07 Favored 'General case' 0 CA--C 1.549 0.926 0 O-C-N 121.276 -0.89 . . . . 0.0 113.058 177.006 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -105.17 143.69 33.0 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 123.758 0.823 . . . . 0.0 112.095 168.172 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -72.46 69.44 0.84 Allowed 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 115.859 1.8 . . . . 0.0 115.859 -174.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -136.61 -65.11 0.57 Allowed 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 112.557 -2.11 . . . . 0.0 111.906 168.578 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -71.98 161.61 30.67 Favored 'General case' 0 CA--C 1.551 1.008 0 N-CA-C 114.436 1.273 . . . . 0.0 114.436 171.325 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 13.5 t -112.64 148.94 33.56 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 119.933 -1.729 . . . . 0.0 111.982 170.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 41.5 t -55.72 -50.95 68.96 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 114.916 1.45 . . . . 0.0 114.916 -162.371 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.452 ' H ' ' CD ' ' A' ' 35' ' ' GLU . 0.8 OUTLIER -76.72 -23.46 53.09 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 113.794 1.035 . . . . 0.0 113.794 -177.747 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -72.39 -49.35 34.55 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.0 0.92 . . . . 0.0 110.888 167.496 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.581 ' O ' HD12 ' A' ' 41' ' ' ILE . 29.3 ttp85 -57.33 -47.32 81.88 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.258 172.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -88.24 5.81 39.87 Favored 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 117.202 2.297 . . . . 0.0 117.202 173.515 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.23 -35.62 73.98 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 119.176 -2.203 . . . . 0.0 111.895 147.055 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 32.9 mtp180 -71.07 -43.01 68.63 Favored 'General case' 0 CA--C 1.552 1.023 0 N-CA-C 114.101 1.149 . . . . 0.0 114.101 169.349 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.581 HD12 ' O ' ' A' ' 37' ' ' ARG 0.262 3.4 mp -70.58 87.29 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.961 0 CA-C-O 126.833 3.206 . . . . 0.0 113.153 165.472 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 33.9 mtmm -86.51 -6.56 58.86 Favored 'General case' 0 CA--C 1.544 0.719 1 CA-C-N 107.565 -4.379 . . . . 0.0 116.34 -174.542 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 46.5 mm -61.14 -36.7 74.36 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.858 0 N-CA-C 115.236 1.569 . . . . 0.0 115.236 -158.352 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -171.42 160.19 32.19 Favored Glycine 0 CA--C 1.545 1.95 0 CA-C-N 120.256 1.389 . . . . 0.0 115.856 175.434 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_exo -52.83 -49.77 16.39 Favored 'Trans proline' 0 C--N 1.361 1.235 0 C-N-CA 124.989 3.792 . . . . 0.0 115.243 173.363 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 48.2 mtpt -64.0 -27.68 69.29 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 113.589 0.959 . . . . 0.0 113.589 171.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 6.4 t -66.62 -59.93 3.16 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-O 117.345 -1.312 . . . . 0.0 109.113 174.33 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -50.71 -42.87 23.25 Favored 'Isoleucine or valine' 0 C--N 1.353 0.729 0 CA-C-N 120.585 1.539 . . . . 0.0 115.124 172.13 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.92 -56.81 17.43 Favored 'General case' 0 CA--C 1.551 0.998 0 N-CA-C 115.045 1.498 . . . . 0.0 115.045 174.728 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.89 -46.83 74.86 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.367 1.067 . . . . 0.0 110.93 171.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.563 ' CE2' HD13 ' A' ' 41' ' ' ILE . 3.1 t80 -53.8 -55.29 27.8 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.19 1.396 . . . . 0.0 112.445 176.338 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.0 tmtm? -64.3 -40.0 95.05 Favored 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 113.923 1.083 . . . . 0.0 113.923 -178.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 -67.18 -41.2 86.29 Favored 'General case' 0 CA--C 1.551 1.002 0 O-C-N 120.772 -1.205 . . . . 0.0 114.054 173.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 6.1 m -65.08 -29.94 70.85 Favored 'General case' 0 CA--C 1.55 0.951 0 N-CA-C 115.068 1.507 . . . . 0.0 115.068 167.122 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 60.9 m -58.67 -38.31 77.9 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 121.961 2.164 . . . . 0.0 113.121 162.151 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -60.09 -43.57 95.44 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-O 116.148 -1.882 . . . . 0.0 113.413 168.383 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.504 2.2 pp -69.15 -29.6 43.37 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 CA-C-N 123.767 2.985 . . . . 0.0 115.736 167.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.98 -41.39 78.31 Favored 'General case' 0 CA--C 1.549 0.929 0 CA-C-N 122.097 2.226 . . . . 0.0 112.901 168.191 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -68.06 -42.13 80.95 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 168.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.776 HE21 ' N ' ' A' ' 66' ' ' SER . 36.8 mt-30 -64.17 -28.67 69.92 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 120.886 1.675 . . . . 0.0 114.363 171.284 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 77.7 t -62.55 -51.08 76.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 CA-C-N 120.78 1.627 . . . . 0.0 111.609 164.029 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 77.2 mtt85 -60.16 -41.05 91.97 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 114.973 1.471 . . . . 0.0 114.973 175.134 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -84.42 7.09 20.85 Favored 'General case' 0 CA--C 1.55 0.975 0 N-CA-C 114.875 1.435 . . . . 0.0 114.875 173.247 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 63.8 -44.25 0.26 Allowed 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 126.963 2.105 . . . . 0.0 115.297 -179.31 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -99.03 129.35 45.31 Favored 'General case' 0 CA--C 1.547 0.843 0 O-C-N 120.947 -1.096 . . . . 0.0 112.906 172.361 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.776 ' N ' HE21 ' A' ' 60' ' ' GLN . . . . . . . . 1 C--N 1.231 -4.55 0 O-C-N 121.347 -0.846 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 30.5 ttp . . . . . 0 CA--C 1.547 0.831 0 N-CA-C 113.052 0.76 . . . . 0.0 113.052 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 76.6 mt -82.05 43.25 0.77 Allowed 'General case' 0 CA--C 1.557 1.213 0 O-C-N 119.935 -1.728 . . . . 0.0 115.351 -175.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -62.86 -36.85 84.61 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.485 1.114 . . . . 0.0 113.383 178.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 57.2 mtmt -61.08 -28.55 69.16 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 113.982 1.104 . . . . 0.0 113.982 169.663 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 15.3 tptp -78.23 -36.4 47.09 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 121.016 -1.052 . . . . 0.0 112.43 177.303 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 10.3 mt -53.47 -53.31 25.49 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.226 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 163.592 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.475 ' O ' ' HB2' ' A' ' 11' ' ' ALA . 47.3 mt-10 -62.64 -22.22 66.26 Favored 'General case' 0 CA--C 1.541 0.635 0 CA-C-O 117.228 -1.368 . . . . 0.0 114.128 178.471 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -71.46 -40.48 70.28 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-N 123.134 2.697 . . . . 0.0 113.52 168.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.411 ' OE2' ' HG3' ' A' ' 49' ' ' LYS . 11.7 mm-40 -83.14 -55.1 4.55 Favored 'General case' 0 N--CA 1.48 1.064 0 O-C-N 120.342 -1.474 . . . . 0.0 113.899 174.785 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.72 9.09 0.2 Allowed 'General case' 0 CA--C 1.557 1.237 0 N-CA-C 116.275 1.954 . . . . 0.0 116.275 164.036 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.475 ' HB2' ' O ' ' A' ' 7' ' ' GLU . . . -66.42 -41.79 88.7 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 118.475 -2.64 . . . . 0.0 112.916 147.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 47.1 mttp -80.64 57.44 2.94 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-O 122.451 1.119 . . . . 0.0 111.195 -168.496 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -65.92 -14.85 62.29 Favored 'General case' 0 CA--C 1.547 0.827 0 N-CA-C 114.705 1.372 . . . . 0.0 114.705 178.141 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.4 pttt -63.55 -34.19 77.25 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 159.083 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -101.51 72.53 1.41 Allowed 'General case' 0 CA--C 1.546 0.793 0 CA-C-O 124.966 2.317 . . . . 0.0 109.124 176.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.18 -43.46 74.36 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 109.278 -3.601 . . . . 0.0 114.352 -173.133 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 11.2 tpt -65.85 -32.57 74.16 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.604 0.761 . . . . 0.0 112.409 176.382 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 70.1 mt -83.13 -44.0 15.59 Favored 'General case' 0 CA--C 1.536 0.422 0 O-C-N 121.192 -0.942 . . . . 0.0 111.832 -175.204 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.66 -32.36 70.4 Favored 'General case' 0 CA--C 1.555 1.155 0 O-C-N 120.438 -1.414 . . . . 0.0 113.84 159.631 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -64.86 -31.94 73.4 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 123.835 3.016 . . . . 0.0 112.971 167.211 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 90.0 m -58.87 -38.44 78.81 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-N 121.511 1.96 . . . . 0.0 113.648 163.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . 0.267 0.1 OUTLIER -50.78 -49.62 57.9 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-N 118.839 0.745 . . . . 0.0 111.963 161.398 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.433 ' O ' ' HD1' ' A' ' 27' ' ' TYR 0.25 3.8 m-30 -73.83 -29.11 61.95 Favored 'General case' 0 CA--C 1.549 0.91 0 N-CA-C 113.822 1.045 . . . . 0.0 113.822 -176.584 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -58.79 -41.13 85.96 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.915 0.886 . . . . 0.0 113.136 162.132 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.94 -46.77 79.66 Favored Glycine 0 CA--C 1.534 1.246 0 CA-C-O 119.414 -0.659 . . . . 0.0 114.626 170.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.86 -34.16 72.76 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 114.067 1.136 . . . . 0.0 114.067 176.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.433 ' HD1' ' O ' ' A' ' 23' ' ' TYR . 42.3 m-85 -66.72 86.53 0.12 Allowed 'General case' 0 CA--C 1.549 0.909 0 CA-C-O 123.194 1.473 . . . . 0.0 112.296 163.562 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.0 tpm_? -56.19 125.05 20.03 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 113.723 -1.58 . . . . 0.0 113.272 169.036 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -86.58 -175.52 5.47 Favored 'General case' 0 CA--C 1.554 1.101 0 O-C-N 121.901 -0.499 . . . . 0.0 111.765 172.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -58.86 -82.2 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.97 0 N-CA-C 114.984 1.476 . . . . 0.0 114.984 -178.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -136.24 8.87 3.19 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 122.792 2.542 . . . . 0.0 114.544 177.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -72.0 146.11 47.9 Favored 'General case' 0 CA--C 1.552 1.021 0 O-C-N 120.68 -1.263 . . . . 0.0 112.32 174.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 73.6 p -81.86 158.31 24.06 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 113.842 1.053 . . . . 0.0 113.842 -178.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 73.5 m -60.43 -54.0 50.77 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.642 1.177 . . . . 0.0 114.134 -173.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.6 -21.95 63.54 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 -179.358 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -72.52 -54.67 8.56 Favored 'General case' 0 C--O 1.243 0.726 0 CA-C-N 119.864 1.211 . . . . 0.0 111.108 173.622 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.654 ' O ' HD12 ' A' ' 41' ' ' ILE . 29.2 ptt180 -64.82 -38.55 91.37 Favored 'General case' 0 C--N 1.347 0.486 0 CA-C-O 117.948 -1.025 . . . . 0.0 112.06 172.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . 0.261 . . -85.72 3.17 42.37 Favored 'General case' 0 CA--C 1.551 0.992 0 CA-C-N 122.359 2.345 . . . . 0.0 116.657 173.409 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -74.0 -31.73 63.08 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 119.153 -2.217 . . . . 0.0 112.656 148.051 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.452 ' HB3' ' O ' ' A' ' 37' ' ' ARG . 37.2 ttm180 -69.99 -45.09 68.07 Favored 'General case' 0 CA--C 1.556 1.184 0 O-C-N 121.284 -0.885 . . . . 0.0 112.854 166.62 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.654 HD12 ' O ' ' A' ' 37' ' ' ARG 0.273 3.3 mp -72.27 86.1 0.39 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.942 0 CA-C-O 126.759 3.171 . . . . 0.0 113.519 168.386 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 56.6 mttp -92.26 13.83 18.09 Favored 'General case' 0 CA--C 1.547 0.853 1 CA-C-N 107.975 -4.193 . . . . 0.0 116.252 -176.731 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 50.2 mm -65.25 -37.65 80.68 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.915 0 CA-C-N 119.758 1.163 . . . . 0.0 114.022 -170.355 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -179.39 161.97 28.4 Favored Glycine 0 CA--C 1.545 1.964 0 CA-C-O 117.9 -1.5 . . . . 0.0 115.656 173.208 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_exo -52.57 -48.79 20.05 Favored 'Trans proline' 0 C--N 1.361 1.212 0 C-N-CA 125.201 3.934 . . . . 0.0 115.721 175.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -64.89 -28.7 69.72 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 123.844 0.858 . . . . 0.0 113.267 174.13 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 41.8 t -68.26 -56.8 7.36 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.128 172.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -48.25 -43.5 12.04 Favored 'Isoleucine or valine' 0 C--N 1.352 0.69 0 CA-C-N 121.038 1.745 . . . . 0.0 114.57 169.362 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.411 ' HG3' ' OE2' ' A' ' 9' ' ' GLU . 24.9 tptp -58.7 -55.28 37.09 Favored 'General case' 0 CA--C 1.559 1.296 0 N-CA-C 114.946 1.461 . . . . 0.0 114.946 172.629 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.8 -46.23 74.47 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-N 120.639 1.563 . . . . 0.0 112.115 169.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.583 ' CE2' HD13 ' A' ' 41' ' ' ILE . 2.8 t80 -56.38 -58.39 8.21 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.802 1.241 . . . . 0.0 112.15 176.285 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.12 -42.73 91.26 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.453 1.101 . . . . 0.0 112.334 -178.651 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.488 ' O ' HD12 ' A' ' 57' ' ' ILE . 82.4 m-20 -61.31 -57.67 11.37 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 118.606 0.639 . . . . 0.0 112.553 175.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 12.5 m -61.38 -29.73 70.1 Favored 'General case' 0 CA--C 1.549 0.918 0 N-CA-C 115.359 1.615 . . . . 0.0 115.359 173.518 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 8.3 t -65.75 -38.61 89.57 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 121.118 1.781 . . . . 0.0 112.537 170.374 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 7.5 m-30 -59.63 -43.59 93.76 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-O 118.324 -0.846 . . . . 0.0 112.441 167.299 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.488 HD12 ' O ' ' A' ' 53' ' ' ASP . 2.1 mp -59.47 -47.51 90.52 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 CA-C-N 119.784 1.174 . . . . 0.0 113.946 168.785 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -51.64 -43.68 62.72 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 173.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 72.6 m-80 -72.0 -34.83 69.2 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 114.396 1.258 . . . . 0.0 114.396 171.578 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -60.18 -39.75 87.57 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 120.871 1.669 . . . . 0.0 113.316 166.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 99.2 t -62.33 -47.49 92.83 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.763 0 CA-C-N 119.436 1.017 . . . . 0.0 112.053 170.081 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 53.9 ttt180 -58.81 -40.09 83.07 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 113.732 1.012 . . . . 0.0 113.732 173.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -85.42 6.92 24.58 Favored 'General case' 0 CA--C 1.553 1.083 0 N-CA-C 115.339 1.607 . . . . 0.0 115.339 171.295 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 55.94 47.83 19.18 Favored 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 126.586 1.954 . . . . 0.0 115.06 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -128.95 -20.9 3.4 Favored 'General case' 0 CA--C 1.55 0.969 0 O-C-N 120.43 -1.419 . . . . 0.0 114.714 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . . . . . . . . 1 C--N 1.233 -4.496 0 CA-C-N 120.675 1.579 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.554 1.132 0 N-CA-C 115.37 1.618 . . . . 0.0 115.37 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.7 mp -77.35 99.7 5.65 Favored 'General case' 0 CA--C 1.548 0.888 0 CA-C-O 123.576 1.655 . . . . 0.0 112.104 179.055 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -55.78 -36.28 67.2 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 113.021 -1.9 . . . . 0.0 113.675 172.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -59.73 -39.44 84.7 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.487 1.115 . . . . 0.0 113.249 172.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 29.1 mmtt -73.17 -38.83 66.04 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-O 116.974 -1.488 . . . . 0.0 114.192 173.034 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 8.9 mt -62.09 -38.54 81.11 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 CA-C-N 121.813 2.097 . . . . 0.0 109.812 169.202 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -59.96 -67.55 0.37 Allowed 'General case' 0 CA--C 1.54 0.588 0 CA-C-O 116.686 -1.626 . . . . 0.0 111.301 169.26 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -66.19 -17.77 64.93 Favored 'General case' 0 CA--C 1.553 1.094 0 CA-C-N 124.658 3.39 . . . . 0.0 115.094 -173.16 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -85.8 -69.1 0.69 Allowed 'General case' 0 CA--C 1.545 0.758 0 O-C-N 119.796 -1.815 . . . . 0.0 111.75 164.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.87 1.37 12.84 Favored 'General case' 0 CA--C 1.554 1.112 0 N-CA-C 118.463 2.764 . . . . 0.0 118.463 -179.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -80.22 -50.19 10.59 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 117.911 -2.993 . . . . 0.0 111.708 155.228 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 69.2 tttt -88.48 70.47 8.98 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-O 124.059 1.885 . . . . 0.0 110.179 -171.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.4 m-30 -53.39 -3.66 0.03 OUTLIER 'General case' 0 CA--C 1.551 0.983 0 CA-C-N 112.096 -2.32 . . . . 0.0 117.187 178.053 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 58.9 tttp -60.06 -34.73 73.82 Favored 'General case' 0 CA--C 1.547 0.863 0 O-C-N 120.959 -1.088 . . . . 0.0 111.806 159.021 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 18.5 m-30 -80.91 59.87 3.92 Favored 'General case' 0 CA--C 1.549 0.907 0 O-C-N 120.594 -1.316 . . . . 0.0 111.191 174.08 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.55 -53.02 62.45 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 115.413 1.635 . . . . 0.0 115.413 -167.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 62.7 mtp -66.62 -27.72 67.92 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.454 0.909 . . . . 0.0 113.454 176.522 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 66.9 mt -86.59 -37.8 17.76 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.791 0.837 . . . . 0.0 112.521 -175.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.69 -32.08 71.65 Favored 'General case' 0 CA--C 1.545 0.755 0 O-C-N 120.963 -1.086 . . . . 0.0 111.993 163.511 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.2 ttpp -67.97 -26.13 65.78 Favored 'General case' 0 CA--C 1.555 1.166 0 O-C-N 119.844 -1.785 . . . . 0.0 111.892 169.473 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 11.3 t -66.81 -39.23 87.63 Favored 'General case' 0 CA--C 1.554 1.101 0 O-C-N 120.606 -1.309 . . . . 0.0 113.647 163.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -47.91 -50.63 26.21 Favored 'General case' 0 N--CA 1.483 1.213 0 CA-C-N 119.376 0.989 . . . . 0.0 111.419 160.794 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.297 4.3 m-30 -75.23 -22.79 57.66 Favored 'General case' 0 CA--C 1.554 1.132 0 N-CA-C 114.137 1.162 . . . . 0.0 114.137 -176.81 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -57.96 -42.1 84.27 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-N 120.067 1.303 . . . . 0.0 113.354 156.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.77 -49.37 79.31 Favored Glycine 0 CA--C 1.532 1.132 0 CA-C-O 119.226 -0.764 . . . . 0.0 114.252 169.532 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.22 -38.93 74.5 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 176.291 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -71.8 80.38 0.87 Allowed 'General case' 0 CA--C 1.55 0.977 0 CA-C-O 122.53 1.157 . . . . 0.0 112.042 164.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.7 tpt180 -63.31 119.29 9.37 Favored 'General case' 0 CA--C 1.55 0.958 0 N-CA-C 115.443 1.645 . . . . 0.0 115.443 174.318 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 34.7 m120 -81.06 118.63 22.67 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-O 121.627 0.727 . . . . 0.0 112.017 164.375 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -68.7 52.98 0.08 Allowed 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 126.014 1.725 . . . . 0.0 115.624 179.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -145.45 -75.13 0.22 Allowed 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 114.369 1.248 . . . . 0.0 114.369 -177.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -73.0 -178.74 2.92 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 115.772 1.767 . . . . 0.0 115.772 177.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 12.9 t -97.64 159.11 15.13 Favored 'General case' 0 CA--C 1.546 0.798 0 O-C-N 120.474 -1.392 . . . . 0.0 111.849 158.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 98.9 m -57.33 -50.87 71.57 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 115.268 1.581 . . . . 0.0 115.268 -167.187 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.98 -16.11 60.64 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 113.997 1.11 . . . . 0.0 113.997 -179.772 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -78.72 -50.42 11.41 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.741 1.216 . . . . 0.0 110.949 168.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.55 ' O ' HD12 ' A' ' 41' ' ' ILE . 12.4 ttp180 -54.32 -47.61 72.28 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 115.047 -0.978 . . . . 0.0 110.862 170.394 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -87.65 2.18 51.7 Favored 'General case' 0 CA--C 1.55 0.95 0 N-CA-C 117.638 2.458 . . . . 0.0 117.638 173.091 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.98 -30.87 70.24 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 118.789 -2.444 . . . . 0.0 112.091 150.377 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 37.2 ttp-105 -75.38 -44.1 46.74 Favored 'General case' 0 CA--C 1.553 1.069 0 N-CA-C 114.041 1.126 . . . . 0.0 114.041 166.482 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.551 HD13 ' CE2' ' A' ' 51' ' ' PHE 0.306 3.4 mp -66.87 85.78 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.551 0.995 0 CA-C-O 127.422 3.487 . . . . 0.0 113.393 165.825 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.9 tppt? -85.26 -4.79 59.28 Favored 'General case' 0 CA--C 1.547 0.849 1 CA-C-N 106.761 -4.745 . . . . 0.0 115.77 -168.725 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 72.3 mt -59.61 -39.28 79.08 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.884 0 N-CA-C 114.839 1.422 . . . . 0.0 114.839 -162.426 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -176.26 165.31 35.68 Favored Glycine 0 CA--C 1.544 1.846 0 CA-C-N 120.057 1.298 . . . . 0.0 116.02 174.127 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -60.83 -45.2 21.5 Favored 'Trans proline' 0 C--N 1.36 1.156 0 C-N-CA 124.35 3.366 . . . . 0.0 115.12 -179.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.1 mttm -59.95 -32.24 70.62 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.266 1.026 . . . . 0.0 113.568 170.015 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 26.1 t -68.52 -59.86 2.85 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-O 116.986 -1.483 . . . . 0.0 110.074 174.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -47.05 -46.37 8.59 Favored 'Isoleucine or valine' 0 C--N 1.353 0.75 0 CA-C-N 121.417 1.917 . . . . 0.0 115.058 171.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -60.56 -53.62 55.25 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 114.055 1.131 . . . . 0.0 114.055 174.157 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.06 -51.23 55.33 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 119.579 1.081 . . . . 0.0 111.134 171.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.551 ' CE2' HD13 ' A' ' 41' ' ' ILE . 2.9 t80 -55.26 -60.36 3.51 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.004 1.322 . . . . 0.0 111.983 178.203 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 57.7 tttp -59.83 -39.66 85.85 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 118.934 0.788 . . . . 0.0 113.06 -177.545 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -70.75 -48.78 52.63 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 119.311 0.96 . . . . 0.0 113.578 179.309 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.6 m -58.8 -38.82 79.43 Favored 'General case' 0 CA--C 1.55 0.952 0 N-CA-C 114.144 1.165 . . . . 0.0 114.144 168.53 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 13.5 t -63.84 -40.48 96.69 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 119.949 1.25 . . . . 0.0 113.487 175.251 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -62.49 -42.37 99.45 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 118.084 -0.96 . . . . 0.0 112.488 169.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 19.2 mm -59.94 -42.61 89.99 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 CA-C-N 120.251 1.387 . . . . 0.0 113.133 170.263 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.61 -50.22 66.13 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 123.807 0.843 . . . . 0.0 113.183 170.501 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -63.39 -40.95 98.62 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 113.815 1.043 . . . . 0.0 113.815 173.063 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.72 -43.85 95.33 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-O 117.668 -1.158 . . . . 0.0 113.844 170.709 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 62.5 t -61.35 -36.95 76.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 CA-C-N 121.405 1.911 . . . . 0.0 113.083 173.14 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 20.1 mmt85 -61.06 -37.8 83.94 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 119.795 1.179 . . . . 0.0 113.851 169.328 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.59 -48.64 18.57 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 113.664 0.987 . . . . 0.0 113.664 172.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -75.91 62.05 1.55 Allowed 'General case' 0 CA--C 1.552 1.033 0 CA-C-O 122.948 1.356 . . . . 0.0 113.829 -177.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -106.96 -52.31 2.78 Favored 'General case' 0 CA--C 1.545 0.769 0 O-C-N 121.043 -1.036 . . . . 0.0 113.379 175.319 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . . . . . . . . 1 C--N 1.233 -4.47 0 CA-C-N 119.844 1.202 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.4 mtp . . . . . 0 CA--C 1.546 0.808 0 N-CA-C 113.583 0.957 . . . . 0.0 113.583 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.5 mp -88.11 102.12 14.47 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-O 124.329 2.014 . . . . 0.0 111.878 -177.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -54.49 -49.31 70.44 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 111.293 -2.685 . . . . 0.0 112.324 176.069 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 20.8 mttm -65.74 -11.1 42.8 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 115.924 1.824 . . . . 0.0 115.924 173.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.5 mmpm? -85.57 -45.56 11.64 Favored 'General case' 0 C--O 1.235 0.34 0 O-C-N 119.404 -2.06 . . . . 0.0 112.753 168.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . 0.366 1.0 OUTLIER -66.57 -38.99 82.81 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 CA-C-N 121.799 2.091 . . . . 0.0 112.565 166.569 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -62.85 -64.71 0.84 Allowed 'General case' 0 C--N 1.348 0.501 0 CA-C-O 115.817 -2.04 . . . . 0.0 111.268 173.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -71.44 -23.5 61.86 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 124.967 3.531 . . . . 0.0 115.716 -174.578 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -84.09 -55.56 4.14 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 122.332 2.333 . . . . 0.0 112.518 171.269 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.86 -3.87 43.78 Favored 'General case' 0 CA--C 1.553 1.078 0 N-CA-C 117.814 2.524 . . . . 0.0 117.814 174.247 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.59 -57.85 3.27 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 124.75 3.432 . . . . 0.0 112.271 155.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 41.7 mtmt -79.78 73.68 6.51 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-O 123.982 1.849 . . . . 0.0 111.907 -178.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.2 m-30 -50.1 -12.42 0.08 Allowed 'General case' 0 CA--C 1.551 1.012 0 CA-C-N 111.91 -2.404 . . . . 0.0 116.124 170.538 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -61.1 -28.03 68.8 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.763 1.225 . . . . 0.0 113.389 162.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 10.6 m-30 -81.39 60.27 4.37 Favored 'General case' 0 CA--C 1.552 1.029 0 O-C-N 120.154 -1.591 . . . . 0.0 109.917 171.143 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.17 -54.35 44.36 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 117.139 2.274 . . . . 0.0 117.139 -158.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 11.2 tpt -68.82 -31.95 71.3 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.269 1.028 . . . . 0.0 112.77 177.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 70.8 mt -79.51 -38.45 34.34 Favored 'General case' 0 CA--C 1.536 0.437 0 O-C-N 121.464 -0.773 . . . . 0.0 112.128 -177.393 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.09 -37.58 87.79 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 112.462 0.542 . . . . 0.0 112.462 162.334 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.5 tmtm? -67.66 -32.3 72.88 Favored 'General case' 0 CA--C 1.552 1.03 0 O-C-N 119.362 -2.086 . . . . 0.0 111.266 172.293 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 9.2 t -62.0 -39.77 93.36 Favored 'General case' 0 CA--C 1.554 1.112 0 CA-C-N 120.18 1.354 . . . . 0.0 113.962 167.238 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.8 t -45.46 -56.42 5.06 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.071 0.948 . . . . 0.0 110.971 159.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.403 ' HA ' ' HB3' ' A' ' 26' ' ' ALA 0.301 7.8 m-30 -72.61 -22.82 60.9 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 114.209 1.188 . . . . 0.0 114.209 -174.755 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -58.25 -40.31 81.43 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 159.144 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.91 -44.27 94.84 Favored Glycine 0 CA--C 1.534 1.278 0 N-CA-C 114.796 0.678 . . . . 0.0 114.796 166.355 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.403 ' HB3' ' HA ' ' A' ' 23' ' ' TYR . . . -63.4 -23.6 67.48 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 114.878 1.436 . . . . 0.0 114.878 177.461 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -62.23 84.8 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.064 0 CA-C-N 121.164 1.802 . . . . 0.0 110.768 161.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.1 tpm_? -62.36 108.38 1.09 Allowed 'General case' 0 CA--C 1.548 0.897 0 CA-C-O 122.55 1.167 . . . . 0.0 113.532 172.148 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -69.81 154.43 41.98 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-N 114.935 -1.029 . . . . 0.0 112.234 170.31 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -53.42 -50.93 64.17 Favored 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 115.737 1.755 . . . . 0.0 115.737 174.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -134.83 -21.09 1.71 Allowed 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 115.892 1.812 . . . . 0.0 115.892 -170.034 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -70.25 159.05 34.74 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 121.369 1.895 . . . . 0.0 114.868 179.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.8 t -107.55 160.54 15.6 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-O 122.513 1.149 . . . . 0.0 113.562 175.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 83.2 m -61.39 -54.95 37.02 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.434 1.493 . . . . 0.0 114.575 -164.257 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -73.72 -16.41 61.19 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 113.478 0.918 . . . . 0.0 113.478 -179.394 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -73.05 -50.78 21.02 Favored 'General case' 0 CA--C 1.548 0.874 0 O-C-N 120.389 -1.444 . . . . 0.0 111.044 168.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.592 ' O ' HD12 ' A' ' 41' ' ' ILE . 58.9 mtm180 -55.9 -51.18 68.49 Favored 'General case' 0 C--N 1.346 0.443 0 CA-C-N 114.943 -1.026 . . . . 0.0 111.528 168.759 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . 0.27 . . -90.02 11.71 19.81 Favored 'General case' 0 CA--C 1.551 0.993 0 N-CA-C 116.714 2.116 . . . . 0.0 116.714 178.563 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -72.62 -38.38 67.77 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 119.487 -2.008 . . . . 0.0 111.941 143.309 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 84.5 mtm180 -70.05 -45.8 66.35 Favored 'General case' 0 CA--C 1.554 1.103 0 N-CA-C 114.237 1.199 . . . . 0.0 114.237 168.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.592 HD12 ' O ' ' A' ' 37' ' ' ARG . 3.6 mp -72.68 89.08 0.46 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.892 0 CA-C-O 126.641 3.115 . . . . 0.0 113.134 168.026 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 34.2 mtmm -88.58 -7.23 56.78 Favored 'General case' 0 CA--C 1.543 0.697 1 CA-C-N 107.571 -4.377 . . . . 0.0 116.51 -174.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 47.0 mm -59.55 -38.9 77.7 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.903 0 N-CA-C 115.733 1.753 . . . . 0.0 115.733 -156.075 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -168.64 159.15 32.18 Favored Glycine 0 CA--C 1.545 1.936 0 CA-C-O 117.495 -1.725 . . . . 0.0 115.468 176.281 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_exo -52.55 -53.79 6.27 Favored 'Trans proline' 0 C--N 1.361 1.233 0 C-N-CA 125.183 3.922 . . . . 0.0 116.019 177.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 44.5 mttt -63.64 -27.56 69.32 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 172.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 34.8 t -65.15 -59.56 3.97 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-O 117.213 -1.375 . . . . 0.0 109.433 173.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -48.82 -45.41 15.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 CA-C-N 120.763 1.619 . . . . 0.0 115.027 171.039 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -62.29 -52.71 62.61 Favored 'General case' 0 CA--C 1.549 0.918 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 174.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.42 -46.46 69.79 Favored 'General case' 0 CA--C 1.548 0.893 0 CA-C-N 120.033 1.288 . . . . 0.0 110.815 171.077 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.581 ' CE2' HD13 ' A' ' 41' ' ' ILE . 3.9 t80 -55.1 -58.97 5.48 Favored 'General case' 0 C--N 1.35 0.6 0 C-N-CA 125.028 1.331 . . . . 0.0 112.386 175.504 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.403 ' O ' ' HD1' ' A' ' 56' ' ' TYR . 79.7 mttt -61.56 -38.98 89.46 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 119.264 0.938 . . . . 0.0 113.215 -178.256 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -72.8 -42.8 63.49 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 114.349 1.241 . . . . 0.0 114.349 178.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.4 m -60.02 -37.58 80.16 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 165.346 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 5.6 t -63.46 -38.01 89.5 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 119.681 1.128 . . . . 0.0 112.695 172.644 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.403 ' HD1' ' O ' ' A' ' 52' ' ' LYS . 18.5 m-85 -58.67 -45.28 89.77 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 119.771 1.169 . . . . 0.0 113.569 165.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 21.7 mm -59.92 -44.65 94.89 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 CA-C-N 119.569 1.077 . . . . 0.0 112.84 172.655 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.05 -45.64 75.28 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.393 1.077 . . . . 0.0 113.836 172.534 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -67.45 -34.24 76.77 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 114.145 1.165 . . . . 0.0 114.145 172.502 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -62.72 -46.11 89.61 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 119.818 1.19 . . . . 0.0 112.318 167.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 94.1 t -58.48 -42.28 83.97 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.842 0 CA-C-N 119.713 1.142 . . . . 0.0 112.55 172.648 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 43.7 ttt180 -59.29 -40.13 85.18 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 113.612 0.968 . . . . 0.0 113.612 171.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.27 -42.57 62.32 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 172.309 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -75.05 -49.07 20.95 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 114.623 1.342 . . . . 0.0 114.623 178.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . 0.252 58.8 mt-30 55.05 65.0 1.61 Allowed 'General case' 0 CA--C 1.553 1.085 0 N-CA-C 116.226 1.935 . . . . 0.0 116.226 -175.427 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . . . . . . . . 1 C--N 1.232 -4.513 0 O-C-N 121.45 -0.781 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.2 ptm . . . . . 0 CA--C 1.545 0.787 0 N-CA-C 114.113 1.153 . . . . 0.0 114.113 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 94.5 mt -100.38 92.02 4.98 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-O 124.701 2.191 . . . . 0.0 111.814 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 -56.51 -36.95 69.76 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-N 111.226 -2.715 . . . . 0.0 112.292 171.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -60.28 -36.81 78.68 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.011 1.325 . . . . 0.0 113.393 170.168 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 30.9 mmtt -74.41 -34.43 63.26 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 120.989 1.722 . . . . 0.0 114.544 174.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.5 mt -60.55 -45.06 97.73 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.34 0 CA-C-N 121.754 2.07 . . . . 0.0 109.273 166.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -58.69 -60.38 3.91 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-O 116.955 -1.498 . . . . 0.0 111.82 173.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -66.76 -20.86 66.04 Favored 'General case' 0 CA--C 1.55 0.955 0 CA-C-N 123.803 3.002 . . . . 0.0 114.576 -176.263 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -85.84 -62.88 1.42 Allowed 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 121.795 2.089 . . . . 0.0 112.195 166.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.0 1.27 11.28 Favored 'General case' 0 CA--C 1.556 1.198 0 N-CA-C 117.936 2.569 . . . . 0.0 117.936 177.479 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.45 -50.62 12.3 Favored 'General case' 0 N--CA 1.474 0.729 0 O-C-N 117.517 -3.24 . . . . 0.0 111.781 154.466 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -80.19 70.46 6.82 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-O 122.847 1.308 . . . . 0.0 111.514 -177.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -55.09 -9.66 0.42 Allowed 'General case' 0 CA--C 1.552 1.029 0 N-CA-C 115.814 1.783 . . . . 0.0 115.814 172.486 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -61.51 -31.64 71.64 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.759 1.224 . . . . 0.0 113.274 160.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 14.3 m-30 -82.55 61.42 5.68 Favored 'General case' 0 CA--C 1.549 0.922 0 O-C-N 120.162 -1.586 . . . . 0.0 109.729 172.18 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.25 -52.09 62.47 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 115.7 1.741 . . . . 0.0 115.7 -164.206 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 34.4 ttm -67.98 -30.07 69.26 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.495 1.118 . . . . 0.0 112.813 177.217 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 66.0 mt -84.42 -39.39 19.05 Favored 'General case' 0 CA--C 1.536 0.406 0 O-C-N 121.381 -0.824 . . . . 0.0 112.356 -174.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.1 pptp? -67.26 -31.6 72.06 Favored 'General case' 0 CA--C 1.547 0.834 0 O-C-N 121.177 -0.952 . . . . 0.0 112.124 163.077 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.3 ttpp -68.2 -27.34 66.31 Favored 'General case' 0 CA--C 1.556 1.18 0 O-C-N 119.513 -1.992 . . . . 0.0 112.188 169.222 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 11.6 t -66.26 -39.39 89.44 Favored 'General case' 0 CA--C 1.553 1.071 0 O-C-N 120.44 -1.413 . . . . 0.0 113.593 165.43 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -47.77 -52.59 18.18 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.672 0.789 . . . . 0.0 110.932 160.472 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.311 5.0 m-30 -74.85 -18.33 60.46 Favored 'General case' 0 CA--C 1.555 1.143 0 N-CA-C 114.392 1.256 . . . . 0.0 114.392 -176.074 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -60.54 -44.56 95.96 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 120.401 1.455 . . . . 0.0 113.667 155.583 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.02 -42.25 98.31 Favored Glycine 0 CA--C 1.534 1.275 0 CA-C-O 119.51 -0.606 . . . . 0.0 114.288 170.4 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.87 -42.53 97.49 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 113.678 0.992 . . . . 0.0 113.678 172.647 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -70.91 69.47 0.46 Allowed 'General case' 0 CA--C 1.549 0.915 0 CA-C-O 123.579 1.657 . . . . 0.0 113.855 170.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 29.8 ttt85 -89.07 84.29 6.57 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-O 123.502 1.62 . . . . 0.0 111.339 172.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 30.3 m120 -103.63 -23.42 13.47 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 113.781 -1.554 . . . . 0.0 115.186 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -76.97 -99.73 0.02 OUTLIER 'General case' 0 CA--C 1.557 1.212 0 N-CA-C 116.231 1.937 . . . . 0.0 116.231 -178.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -176.18 -34.61 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 125.652 1.581 . . . . 0.0 113.28 -166.678 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -67.29 163.06 21.37 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 115.889 1.811 . . . . 0.0 115.889 -169.324 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.0 t -82.98 153.56 24.93 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 120.46 -1.4 . . . . 0.0 112.425 176.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 72.9 m -59.3 -49.51 77.56 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 114.436 1.273 . . . . 0.0 114.436 -162.206 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -71.78 -22.53 61.57 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 113.697 0.999 . . . . 0.0 113.697 177.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -72.17 -52.49 16.35 Favored 'General case' 0 CA--C 1.548 0.874 0 O-C-N 119.731 -1.856 . . . . 0.0 111.177 171.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.553 ' O ' HD12 ' A' ' 41' ' ' ILE . 26.4 ttt-85 -53.32 -51.88 60.96 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 112.607 -2.088 . . . . 0.0 110.422 172.214 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -88.57 6.31 38.7 Favored 'General case' 0 CA--C 1.55 0.961 0 N-CA-C 117.332 2.345 . . . . 0.0 117.332 175.662 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.51 -35.73 75.79 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 118.944 -2.347 . . . . 0.0 111.786 148.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 88.2 mtm-85 -70.69 -41.72 71.64 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 113.668 0.988 . . . . 0.0 113.668 167.027 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.568 HD13 ' CE2' ' A' ' 51' ' ' PHE 0.253 3.4 mp -76.81 78.91 0.66 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.918 0 CA-C-O 127.378 3.466 . . . . 0.0 113.016 166.214 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -95.92 14.93 21.88 Favored 'General case' 0 CA--C 1.547 0.847 1 CA-C-N 107.346 -4.479 . . . . 0.0 115.381 -172.284 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 70.6 mt -66.57 -40.82 87.24 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.858 0 N-CA-C 113.641 0.978 . . . . 0.0 113.641 -168.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -169.9 159.89 32.68 Favored Glycine 0 CA--C 1.546 1.994 0 CA-C-O 117.793 -1.559 . . . . 0.0 115.894 175.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_exo -52.23 -48.62 20.8 Favored 'Trans proline' 0 C--N 1.362 1.243 0 C-N-CA 125.224 3.949 . . . . 0.0 115.851 175.417 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 22.3 mttm -62.19 -30.65 71.22 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 113.944 1.09 . . . . 0.0 113.944 172.052 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 24.7 t -68.79 -59.93 2.74 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-O 116.987 -1.482 . . . . 0.0 109.73 174.153 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -47.76 -43.98 10.35 Favored 'Isoleucine or valine' 0 C--N 1.354 0.769 0 CA-C-N 121.444 1.929 . . . . 0.0 114.996 171.278 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.27 -54.27 47.75 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 115.544 1.683 . . . . 0.0 115.544 172.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.81 -49.65 62.33 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.25 1.02 . . . . 0.0 110.786 170.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.568 ' CE2' HD13 ' A' ' 41' ' ' ILE . 4.1 t80 -55.45 -59.48 4.76 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.941 1.296 . . . . 0.0 112.358 177.361 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 56.6 mtmt -62.12 -35.86 80.0 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 114.317 1.228 . . . . 0.0 114.317 -178.02 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -76.44 -39.44 53.4 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 119.913 1.233 . . . . 0.0 113.877 177.434 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 5.3 m -63.01 -33.77 76.13 Favored 'General case' 0 CA--C 1.551 1.018 0 O-C-N 120.722 -1.236 . . . . 0.0 114.187 163.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 6.2 t -63.82 -37.64 88.13 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 120.758 1.617 . . . . 0.0 112.814 171.226 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -57.7 -45.93 85.01 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 123.985 0.914 . . . . 0.0 112.947 165.408 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 30.6 mm -58.2 -48.81 83.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 CA-C-N 120.141 1.337 . . . . 0.0 113.96 168.059 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.64 -45.7 77.57 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 176.496 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -66.24 -35.22 79.84 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 114.061 1.134 . . . . 0.0 114.061 171.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.437 ' O ' ' HG2' ' A' ' 64' ' ' GLU . 19.2 tt0 -61.58 -44.8 96.35 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 119.862 1.21 . . . . 0.0 111.949 168.767 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 85.2 t -61.43 -43.39 96.68 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.746 0 C-N-CA 123.959 0.904 . . . . 0.0 112.746 171.662 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 32.2 mmt180 -63.93 -29.75 70.89 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 120.207 1.367 . . . . 0.0 114.503 170.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.18 -55.06 10.32 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 120.057 1.299 . . . . 0.0 113.214 166.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 60' ' ' GLN . 15.5 pt-20 -83.18 52.02 2.1 Favored 'General case' 0 CA--C 1.555 1.171 0 CA-C-N 121.18 1.809 . . . . 0.0 113.382 178.776 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -112.7 -55.89 2.47 Favored 'General case' 0 CA--C 1.545 0.786 0 O-C-N 120.583 -1.323 . . . . 0.0 113.09 -175.042 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . . . . . . . . 1 C--N 1.234 -4.442 0 CA-C-N 119.824 1.193 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.3 mmm . . . . . 0 CA--C 1.546 0.793 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 20.7 tp -138.52 126.69 22.79 Favored 'General case' 0 CA--C 1.551 1.017 0 CA-C-O 123.683 1.706 . . . . 0.0 113.605 -174.154 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 38.9 tt0 -59.28 -46.58 88.15 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 112.611 -2.086 . . . . 0.0 113.659 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -56.05 -37.85 69.81 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.632 1.173 . . . . 0.0 112.958 174.586 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.446 ' O ' ' HG2' ' A' ' 9' ' ' GLU . 2.0 mtpp -75.46 -32.1 60.51 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-O 115.807 -2.044 . . . . 0.0 115.396 174.135 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.7 mt -56.57 -48.17 80.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 CA-C-N 123.433 2.833 . . . . 0.0 108.841 164.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.01 -53.51 56.95 Favored 'General case' 0 C--O 1.219 -0.518 0 CA-C-O 115.592 -2.147 . . . . 0.0 113.037 175.024 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -62.08 -20.62 64.2 Favored 'General case' 0 N--CA 1.477 0.914 1 CA-C-N 126.023 4.01 . . . . 0.0 114.885 178.659 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.446 ' HG2' ' O ' ' A' ' 5' ' ' LYS . 18.6 mm-40 -84.49 -65.06 1.05 Allowed 'General case' 0 CA--C 1.545 0.756 0 O-C-N 120.784 -1.197 . . . . 0.0 111.848 167.515 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.15 3.52 10.46 Favored 'General case' 0 CA--C 1.556 1.197 0 N-CA-C 119.134 3.012 . . . . 0.0 119.134 177.357 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.46 -51.64 8.08 Favored 'General case' 0 N--CA 1.472 0.635 0 O-C-N 117.153 -3.467 . . . . 0.0 111.892 157.161 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.4 mtpt -84.27 70.1 10.54 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-O 123.568 1.651 . . . . 0.0 111.293 -173.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -56.55 0.35 0.03 OUTLIER 'General case' 0 CA--C 1.555 1.14 0 N-CA-C 116.474 2.027 . . . . 0.0 116.474 174.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -58.83 -51.43 70.03 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.549 1.54 . . . . 0.0 112.434 167.455 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . 0.259 0.6 OUTLIER -87.73 69.5 9.6 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-O 125.395 2.521 . . . . 0.0 111.681 170.285 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.42 -34.21 66.56 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 109.667 -3.424 . . . . 0.0 115.012 -177.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 58.2 ttp -63.32 -39.57 94.93 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.652 1.181 . . . . 0.0 113.092 173.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 79.4 mt -81.77 -38.55 25.46 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 121.568 -0.708 . . . . 0.0 112.259 -177.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.8 tmtt? -62.99 -34.03 76.67 Favored 'General case' 0 CA--C 1.552 1.052 0 O-C-N 121.445 -0.784 . . . . 0.0 112.999 163.289 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.6 tttm -61.76 -39.99 93.55 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 121.806 2.093 . . . . 0.0 111.168 166.409 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 96.3 m -53.3 -42.7 66.91 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 122.405 2.366 . . . . 0.0 113.914 168.521 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -48.65 -56.83 7.38 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.402 0.681 . . . . 0.0 111.35 163.689 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.265 7.8 m-30 -74.59 -21.23 59.59 Favored 'General case' 0 CA--C 1.553 1.074 0 N-CA-C 114.716 1.376 . . . . 0.0 114.716 -173.64 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -61.12 -40.11 92.54 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.485 1.114 . . . . 0.0 112.972 159.344 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.13 -54.75 35.37 Favored Glycine 0 CA--C 1.533 1.19 0 CA-C-O 119.197 -0.779 . . . . 0.0 113.975 166.216 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.94 -46.45 89.36 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 115.009 1.485 . . . . 0.0 115.009 -179.342 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -76.28 63.44 1.92 Allowed 'General case' 0 CA--C 1.55 0.946 0 CA-C-N 120.485 1.493 . . . . 0.0 113.267 176.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 73.4 ttt180 -77.15 78.19 3.69 Favored 'General case' 0 CA--C 1.548 0.886 0 CA-C-O 123.911 1.815 . . . . 0.0 112.448 179.311 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -89.33 -21.17 23.26 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 113.551 -1.659 . . . . 0.0 112.103 169.633 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -69.62 12.14 0.21 Allowed 'General case' 0 CA--C 1.551 0.989 0 N-CA-C 116.948 2.203 . . . . 0.0 116.948 -169.53 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . 0.309 3.3 p30 47.53 -35.07 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.179 0 N-CA-C 119.752 3.242 . . . . 0.0 119.752 -172.49 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -64.22 179.05 0.61 Allowed 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 126.85 2.06 . . . . 0.0 116.242 179.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 13.7 t -88.95 155.56 19.43 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 120.691 -1.256 . . . . 0.0 113.687 175.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 71.3 m -57.38 -53.01 62.98 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.672 1.589 . . . . 0.0 114.965 -167.232 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -73.54 -21.39 60.39 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 114.59 1.329 . . . . 0.0 114.59 -173.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -80.02 -47.8 14.34 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 121.64 2.018 . . . . 0.0 110.592 173.068 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.621 ' O ' HD12 ' A' ' 41' ' ' ILE . 15.9 ptt180 -63.22 -37.3 86.69 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-O 118.612 -0.709 . . . . 0.0 111.848 173.122 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -85.86 -3.33 58.89 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 116.8 2.148 . . . . 0.0 116.8 170.055 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -68.16 -25.66 65.38 Favored 'General case' 0 CA--C 1.543 0.685 0 O-C-N 119.236 -2.165 . . . . 0.0 112.306 150.344 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 42.2 mtt180 -73.62 -57.43 4.0 Favored 'General case' 0 CA--C 1.553 1.091 0 CA-C-O 117.414 -1.279 . . . . 0.0 112.471 164.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.621 HD12 ' O ' ' A' ' 37' ' ' ARG 0.317 3.2 mp -54.72 93.79 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.552 1.02 0 CA-C-O 127.178 3.37 . . . . 0.0 114.596 174.009 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.23 -8.37 53.63 Favored 'General case' 0 CA--C 1.544 0.732 1 CA-C-N 106.86 -4.7 . . . . 0.0 117.382 -166.636 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 2.2 mp -59.51 -37.03 68.05 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.968 0 N-CA-C 115.09 1.515 . . . . 0.0 115.09 -164.162 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 175.92 166.01 32.69 Favored Glycine 0 CA--C 1.545 1.94 0 CA-C-N 120.341 1.428 . . . . 0.0 116.184 171.425 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_exo -52.24 -46.2 34.31 Favored 'Trans proline' 0 C--N 1.361 1.206 0 C-N-CA 125.22 3.947 . . . . 0.0 115.897 175.35 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 48.4 tttm -68.42 -28.46 67.1 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 124.341 1.056 . . . . 0.0 112.352 177.001 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 30.1 t -67.33 -57.62 6.31 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 117.36 -1.305 . . . . 0.0 111.626 170.549 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -49.91 -39.72 15.62 Favored 'Isoleucine or valine' 0 C--N 1.352 0.71 0 CA-C-N 120.628 1.558 . . . . 0.0 114.536 170.19 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 26.5 tptp -63.63 -51.75 63.81 Favored 'General case' 0 CA--C 1.553 1.081 0 N-CA-C 114.614 1.339 . . . . 0.0 114.614 173.422 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.66 -49.45 62.29 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 119.963 1.256 . . . . 0.0 111.002 168.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.568 ' CE2' HD13 ' A' ' 41' ' ' ILE . 3.7 t80 -54.55 -56.68 16.37 Favored 'General case' 0 C--N 1.349 0.571 0 C-N-CA 125.226 1.41 . . . . 0.0 112.01 176.459 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 17.5 mmtt -60.47 -40.13 90.12 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 114.425 1.268 . . . . 0.0 114.425 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -65.52 -50.1 66.48 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 120.023 1.283 . . . . 0.0 113.958 175.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 5.9 m -62.63 -30.88 71.69 Favored 'General case' 0 CA--C 1.55 0.958 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 169.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.8 t -69.34 -33.91 73.82 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 120.516 1.507 . . . . 0.0 113.446 171.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -59.53 -42.35 92.11 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 120.577 -1.327 . . . . 0.0 112.771 164.207 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 26.0 mm -59.62 -44.44 93.39 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 N-CA-C 113.623 0.971 . . . . 0.0 113.623 168.239 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.54 -40.11 78.1 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 113.783 1.031 . . . . 0.0 113.783 172.272 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 50.0 m-80 -60.7 -43.73 97.41 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 119.994 1.27 . . . . 0.0 113.519 168.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -62.46 -41.14 98.56 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 113.221 0.822 . . . . 0.0 113.221 172.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 95.7 t -63.76 -45.77 96.33 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.738 0 CA-C-N 118.783 0.719 . . . . 0.0 112.437 169.587 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -66.29 -23.39 66.38 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 120.939 1.7 . . . . 0.0 115.564 174.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.79 -28.28 69.47 Favored 'General case' 0 CA--C 1.548 0.886 0 CA-C-N 119.807 1.185 . . . . 0.0 113.706 162.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -89.03 -48.64 7.28 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.049 0.939 . . . . 0.0 112.082 173.214 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -153.74 126.6 8.29 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 114.198 1.185 . . . . 0.0 114.198 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . . . . . . . . 1 C--N 1.228 -4.692 0 O-C-N 121.114 -0.991 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.4 mtp . . . . . 0 CA--C 1.546 0.808 0 N-CA-C 113.583 0.957 . . . . 0.0 113.583 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.5 mp -88.11 102.12 14.47 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-O 124.329 2.014 . . . . 0.0 111.878 -177.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -54.49 -49.31 70.44 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 111.293 -2.685 . . . . 0.0 112.324 176.069 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 20.8 mttm -65.74 -11.1 42.8 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 115.924 1.824 . . . . 0.0 115.924 173.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.5 mmpm? -85.57 -45.56 11.64 Favored 'General case' 0 C--O 1.235 0.34 0 O-C-N 119.404 -2.06 . . . . 0.0 112.753 168.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . 0.366 1.0 OUTLIER -66.57 -38.99 82.81 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 CA-C-N 121.799 2.091 . . . . 0.0 112.565 166.569 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -62.85 -64.71 0.84 Allowed 'General case' 0 C--N 1.348 0.501 0 CA-C-O 115.817 -2.04 . . . . 0.0 111.268 173.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -71.44 -23.5 61.86 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 124.967 3.531 . . . . 0.0 115.716 -174.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -84.09 -55.56 4.14 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 122.332 2.333 . . . . 0.0 112.518 171.269 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.86 -3.87 43.78 Favored 'General case' 0 CA--C 1.553 1.078 0 N-CA-C 117.814 2.524 . . . . 0.0 117.814 174.247 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.59 -57.85 3.27 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 124.75 3.432 . . . . 0.0 112.271 155.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 41.7 mtmt -79.78 73.68 6.51 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-O 123.982 1.849 . . . . 0.0 111.907 -178.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.2 m-30 -50.1 -12.42 0.08 Allowed 'General case' 0 CA--C 1.551 1.012 0 CA-C-N 111.91 -2.404 . . . . 0.0 116.124 170.538 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -61.1 -28.03 68.8 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.763 1.225 . . . . 0.0 113.389 162.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 10.6 m-30 -81.39 60.27 4.37 Favored 'General case' 0 CA--C 1.552 1.029 0 O-C-N 120.154 -1.591 . . . . 0.0 109.917 171.143 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.17 -54.35 44.36 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 117.139 2.274 . . . . 0.0 117.139 -158.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 11.2 tpt -68.82 -31.95 71.3 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.269 1.028 . . . . 0.0 112.77 177.456 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 70.8 mt -79.51 -38.45 34.34 Favored 'General case' 0 CA--C 1.536 0.437 0 O-C-N 121.464 -0.773 . . . . 0.0 112.128 -177.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.09 -37.58 87.79 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 112.462 0.542 . . . . 0.0 112.462 162.334 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.5 tmtm? -67.66 -32.3 72.88 Favored 'General case' 0 CA--C 1.552 1.03 0 O-C-N 119.362 -2.086 . . . . 0.0 111.266 172.293 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 9.2 t -62.0 -39.77 93.36 Favored 'General case' 0 CA--C 1.554 1.112 0 CA-C-N 120.18 1.354 . . . . 0.0 113.962 167.238 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.8 t -45.46 -56.42 5.06 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.071 0.948 . . . . 0.0 110.971 159.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.403 ' HA ' ' HB3' ' A' ' 26' ' ' ALA 0.301 7.8 m-30 -72.61 -22.82 60.9 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 114.209 1.188 . . . . 0.0 114.209 -174.755 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -58.25 -40.31 81.43 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 159.144 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.91 -44.27 94.84 Favored Glycine 0 CA--C 1.534 1.278 0 N-CA-C 114.796 0.678 . . . . 0.0 114.796 166.355 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.403 ' HB3' ' HA ' ' A' ' 23' ' ' TYR . . . -63.4 -23.6 67.48 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 114.878 1.436 . . . . 0.0 114.878 177.461 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -62.23 84.8 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.064 0 CA-C-N 121.164 1.802 . . . . 0.0 110.768 161.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.1 tpm_? -62.36 108.38 1.09 Allowed 'General case' 0 CA--C 1.548 0.897 0 CA-C-O 122.55 1.167 . . . . 0.0 113.532 172.148 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -69.81 154.43 41.98 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-N 114.935 -1.029 . . . . 0.0 112.234 170.31 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -53.42 -50.93 64.17 Favored 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 115.737 1.755 . . . . 0.0 115.737 174.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -134.83 -21.09 1.71 Allowed 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 115.892 1.812 . . . . 0.0 115.892 -170.034 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -70.25 159.05 34.74 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 121.369 1.895 . . . . 0.0 114.868 179.475 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.8 t -107.55 160.54 15.6 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-O 122.513 1.149 . . . . 0.0 113.562 175.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 83.2 m -61.39 -54.95 37.02 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.434 1.493 . . . . 0.0 114.575 -164.257 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -73.72 -16.41 61.19 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 113.478 0.918 . . . . 0.0 113.478 -179.394 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -73.05 -50.78 21.02 Favored 'General case' 0 CA--C 1.548 0.874 0 O-C-N 120.389 -1.444 . . . . 0.0 111.044 168.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.592 ' O ' HD12 ' A' ' 41' ' ' ILE . 58.9 mtm180 -55.9 -51.18 68.49 Favored 'General case' 0 C--N 1.346 0.443 0 CA-C-N 114.943 -1.026 . . . . 0.0 111.528 168.759 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . 0.27 . . -90.02 11.71 19.81 Favored 'General case' 0 CA--C 1.551 0.993 0 N-CA-C 116.714 2.116 . . . . 0.0 116.714 178.563 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -72.62 -38.38 67.77 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 119.487 -2.008 . . . . 0.0 111.941 143.309 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 84.5 mtm180 -70.05 -45.8 66.35 Favored 'General case' 0 CA--C 1.554 1.103 0 N-CA-C 114.237 1.199 . . . . 0.0 114.237 168.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.592 HD12 ' O ' ' A' ' 37' ' ' ARG . 3.6 mp -72.68 89.08 0.46 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.892 0 CA-C-O 126.641 3.115 . . . . 0.0 113.134 168.026 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 34.2 mtmm -88.58 -7.23 56.78 Favored 'General case' 0 CA--C 1.543 0.697 1 CA-C-N 107.571 -4.377 . . . . 0.0 116.51 -174.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 47.0 mm -59.55 -38.9 77.7 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.903 0 N-CA-C 115.733 1.753 . . . . 0.0 115.733 -156.075 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -168.64 159.15 32.18 Favored Glycine 0 CA--C 1.545 1.936 0 CA-C-O 117.495 -1.725 . . . . 0.0 115.468 176.281 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_exo -52.55 -53.79 6.27 Favored 'Trans proline' 0 C--N 1.361 1.233 0 C-N-CA 125.183 3.922 . . . . 0.0 116.019 177.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 44.5 mttt -63.64 -27.56 69.32 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 172.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 34.8 t -65.15 -59.56 3.97 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-O 117.213 -1.375 . . . . 0.0 109.433 173.155 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -48.82 -45.41 15.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 CA-C-N 120.763 1.619 . . . . 0.0 115.027 171.039 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -62.29 -52.71 62.61 Favored 'General case' 0 CA--C 1.549 0.918 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 174.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.42 -46.46 69.79 Favored 'General case' 0 CA--C 1.548 0.893 0 CA-C-N 120.033 1.288 . . . . 0.0 110.815 171.077 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.581 ' CE2' HD13 ' A' ' 41' ' ' ILE . 3.9 t80 -55.1 -58.97 5.48 Favored 'General case' 0 C--N 1.35 0.6 0 C-N-CA 125.028 1.331 . . . . 0.0 112.386 175.504 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.403 ' O ' ' HD1' ' A' ' 56' ' ' TYR . 79.7 mttt -61.56 -38.98 89.46 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 119.264 0.938 . . . . 0.0 113.215 -178.256 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -72.8 -42.8 63.49 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 114.349 1.241 . . . . 0.0 114.349 178.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.4 m -60.02 -37.58 80.16 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 165.346 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 5.6 t -63.46 -38.01 89.5 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 119.681 1.128 . . . . 0.0 112.695 172.644 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.403 ' HD1' ' O ' ' A' ' 52' ' ' LYS . 18.5 m-85 -58.67 -45.28 89.77 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 119.771 1.169 . . . . 0.0 113.569 165.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 21.7 mm -59.92 -44.65 94.89 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 CA-C-N 119.569 1.077 . . . . 0.0 112.84 172.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.05 -45.64 75.28 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.393 1.077 . . . . 0.0 113.836 172.534 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -67.45 -34.24 76.77 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 114.145 1.165 . . . . 0.0 114.145 172.502 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -62.72 -46.11 89.61 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 119.818 1.19 . . . . 0.0 112.318 167.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 94.1 t -58.48 -42.28 83.97 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.842 0 CA-C-N 119.713 1.142 . . . . 0.0 112.55 172.648 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 43.7 ttt180 -59.29 -40.13 85.18 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 113.612 0.968 . . . . 0.0 113.612 171.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.27 -42.57 62.32 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 172.309 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -75.05 -49.07 20.95 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 114.623 1.342 . . . . 0.0 114.623 178.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . 0.252 58.8 mt-30 55.05 65.0 1.61 Allowed 'General case' 0 CA--C 1.553 1.085 0 N-CA-C 116.226 1.935 . . . . 0.0 116.226 -175.427 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . . . . . . . . 1 C--N 1.232 -4.513 0 O-C-N 121.45 -0.781 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.5 mmm . . . . . 0 CA--C 1.546 0.8 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -98.5 100.93 12.23 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-O 123.732 1.729 . . . . 0.0 113.219 -174.378 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -50.99 -48.92 61.23 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 111.995 -2.366 . . . . 0.0 112.294 171.359 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.417 ' O ' ' HB2' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -64.51 -14.83 59.29 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 114.453 1.279 . . . . 0.0 114.453 175.75 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.04 -38.6 18.99 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-N 121.606 2.003 . . . . 0.0 113.033 171.903 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.6 mp -61.92 -52.85 55.67 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.18 0 CA-C-N 119.799 1.181 . . . . 0.0 109.609 164.429 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -61.37 -32.03 71.94 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 116.83 -1.557 . . . . 0.0 113.6 -178.881 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.417 ' HB2' ' O ' ' A' ' 4' ' ' LYS . 17.7 tt0 -70.99 -57.57 4.42 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 122.767 2.53 . . . . 0.0 113.021 171.124 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -66.11 -47.31 74.56 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 120.364 1.438 . . . . 0.0 112.815 -177.443 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.72 -0.24 15.02 Favored 'General case' 0 CA--C 1.555 1.158 0 N-CA-C 117.152 2.278 . . . . 0.0 117.152 165.372 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -79.04 -47.33 16.4 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 125.101 3.591 . . . . 0.0 112.851 151.449 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 43.2 mtmt -73.5 62.9 0.77 Allowed 'General case' 0 CA--C 1.55 0.971 0 CA-C-O 122.781 1.277 . . . . 0.0 112.554 -177.166 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -58.13 -12.01 3.1 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 115.287 1.588 . . . . 0.0 115.287 173.938 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -61.69 -36.85 82.09 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.679 1.192 . . . . 0.0 112.729 162.23 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -89.72 69.96 7.72 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-O 124.869 2.271 . . . . 0.0 109.979 174.006 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.7 -46.37 77.66 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 109.53 -3.486 . . . . 0.0 114.845 -167.855 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -70.45 -29.0 65.46 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.173 0.989 . . . . 0.0 113.597 177.046 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 84.5 mt -81.89 -40.27 22.62 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 119.622 1.101 . . . . 0.0 112.79 -178.285 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.1 pptp? -68.45 -32.01 71.73 Favored 'General case' 0 CA--C 1.547 0.837 0 O-C-N 121.486 -0.759 . . . . 0.0 112.657 163.933 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.29 -27.2 66.98 Favored 'General case' 0 CA--C 1.547 0.862 0 CA-C-N 121.962 2.165 . . . . 0.0 112.305 169.19 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 9.0 t -67.01 -38.71 86.45 Favored 'General case' 0 CA--C 1.551 0.997 0 CA-C-N 119.8 1.182 . . . . 0.0 113.73 164.798 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -47.81 -51.98 20.57 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-N 119.502 1.046 . . . . 0.0 110.833 159.076 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.331 5.1 m-30 -72.9 -26.74 61.53 Favored 'General case' 0 CA--C 1.55 0.955 0 N-CA-C 113.588 0.958 . . . . 0.0 113.588 -176.451 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -56.42 -37.63 70.48 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 119.93 1.241 . . . . 0.0 114.225 158.489 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.35 -44.57 90.26 Favored Glycine 0 CA--C 1.535 1.307 0 CA-C-N 118.979 0.808 . . . . 0.0 114.487 166.396 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.26 -47.41 73.8 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 115.846 1.795 . . . . 0.0 115.846 -177.665 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . 0.357 2.0 p90 -77.29 59.84 1.87 Allowed 'General case' 0 CA--C 1.553 1.079 0 CA-C-N 124.005 3.093 . . . . 0.0 114.484 176.974 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.91 123.05 38.16 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 113.852 -1.522 . . . . 0.0 110.651 178.034 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 29.9 m-80 -112.66 -124.87 0.28 Allowed 'General case' 0 CA--C 1.551 0.999 0 O-C-N 121.137 -0.977 . . . . 0.0 110.952 -173.327 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -67.89 -14.62 63.11 Favored 'General case' 0 CA--C 1.548 0.903 0 O-C-N 119.965 -1.709 . . . . 0.0 115.238 171.829 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -68.22 123.22 20.1 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 124.662 1.185 . . . . 0.0 112.276 -179.317 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -60.27 -81.01 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.847 0 N-CA-C 117.225 2.306 . . . . 0.0 117.225 -154.685 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.0 t -126.61 141.09 51.97 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 121.275 1.852 . . . . 0.0 113.864 -170.937 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 76.5 m -69.77 -50.94 38.31 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 115.796 1.776 . . . . 0.0 115.796 -163.808 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.72 -16.61 63.18 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 115.137 1.532 . . . . 0.0 115.137 -178.413 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -73.78 -53.8 9.47 Favored 'General case' 0 CA--C 1.55 0.953 0 CA-C-N 119.797 1.18 . . . . 0.0 111.352 167.932 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.615 ' O ' HD12 ' A' ' 41' ' ' ILE . 20.4 mtt85 -59.58 -40.65 88.06 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.134 0.974 . . . . 0.0 112.384 172.881 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -91.87 7.43 42.01 Favored 'General case' 0 CA--C 1.55 0.973 0 N-CA-C 116.402 2.001 . . . . 0.0 116.402 171.955 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.75 -32.83 68.12 Favored 'General case' 0 CA--C 1.543 0.673 0 O-C-N 118.923 -2.36 . . . . 0.0 112.013 145.507 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.444 ' HB3' ' O ' ' A' ' 37' ' ' ARG . 54.1 ttp180 -71.14 -49.47 43.69 Favored 'General case' 0 CA--C 1.556 1.179 0 N-CA-C 113.655 0.983 . . . . 0.0 113.655 166.267 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.615 HD12 ' O ' ' A' ' 37' ' ' ARG 0.259 3.3 mp -65.52 87.66 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.549 0.932 0 CA-C-O 127.183 3.373 . . . . 0.0 112.774 165.807 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.0 tppt? -86.41 -11.06 52.99 Favored 'General case' 0 CA--C 1.546 0.801 1 CA-C-N 106.961 -4.654 . . . . 0.0 115.784 -169.464 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 45.7 mm -59.33 -39.1 78.11 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.874 0 N-CA-C 115.605 1.706 . . . . 0.0 115.605 -156.357 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -172.55 161.73 33.32 Favored Glycine 0 CA--C 1.546 1.983 0 CA-C-N 120.78 1.627 . . . . 0.0 116.254 175.68 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_exo -53.22 -50.61 13.39 Favored 'Trans proline' 0 C--N 1.361 1.234 0 C-N-CA 125.18 3.92 . . . . 0.0 115.749 175.496 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 44.8 mttm -64.59 -26.24 68.32 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 113.931 1.085 . . . . 0.0 113.931 172.755 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 49.8 t -68.14 -60.56 2.38 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-O 116.988 -1.482 . . . . 0.0 109.794 171.759 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -49.02 -40.14 12.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 CA-C-N 121.323 1.874 . . . . 0.0 115.178 171.697 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.8 tptp -67.99 -48.27 66.23 Favored 'General case' 0 CA--C 1.552 1.036 0 N-CA-C 114.73 1.381 . . . . 0.0 114.73 174.948 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.14 -48.22 68.09 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 120.222 1.374 . . . . 0.0 110.238 167.451 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.541 ' CE2' HD13 ' A' ' 41' ' ' ILE . 2.9 t80 -55.57 -57.98 9.66 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.196 1.398 . . . . 0.0 112.49 175.924 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 53.3 tptt -64.75 -37.08 86.38 Favored 'General case' 0 CA--C 1.548 0.903 0 CA-C-N 119.81 1.186 . . . . 0.0 113.911 -177.18 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -74.82 -39.18 61.81 Favored 'General case' 0 CA--C 1.554 1.097 0 O-C-N 120.015 -1.678 . . . . 0.0 113.87 175.783 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.7 m -62.46 -34.35 76.65 Favored 'General case' 0 CA--C 1.551 0.982 0 N-CA-C 114.106 1.151 . . . . 0.0 114.106 165.066 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 15.1 t -54.75 -46.08 74.27 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 120.196 1.362 . . . . 0.0 113.551 165.523 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -54.32 -48.13 71.72 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-O 118.044 -0.979 . . . . 0.0 112.939 169.122 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 34.7 mm -56.55 -49.19 78.69 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.176 0 CA-C-N 119.534 1.061 . . . . 0.0 113.3 170.155 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.84 -45.01 86.86 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 114.216 1.191 . . . . 0.0 114.216 176.076 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 39.8 m-80 -68.52 -25.16 64.8 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 114.542 1.312 . . . . 0.0 114.542 174.113 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -67.29 -46.15 74.46 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 120.012 1.278 . . . . 0.0 112.004 162.823 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 94.3 t -65.49 -55.67 18.87 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.772 0 CA-C-O 117.236 -1.364 . . . . 0.0 113.674 176.219 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 29.2 ptt180 -68.18 -14.66 63.15 Favored 'General case' 0 CA--C 1.549 0.938 0 CA-C-N 122.177 2.262 . . . . 0.0 115.419 -176.674 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -79.73 -33.71 40.64 Favored 'General case' 0 CA--C 1.545 0.775 0 O-C-N 120.784 -1.197 . . . . 0.0 113.226 165.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -84.53 -48.68 9.32 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.202 1.001 . . . . 0.0 112.479 176.726 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -119.42 -56.31 2.07 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-O 117.865 -1.064 . . . . 0.0 113.273 -176.467 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . . . . . . . . 1 C--N 1.234 -4.439 0 CA-C-N 119.96 1.255 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.1 ttm . . . . . 0 CA--C 1.551 0.984 0 N-CA-C 114.433 1.272 . . . . 0.0 114.433 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 10.4 mp -69.71 63.42 0.19 Allowed 'General case' 0 CA--C 1.559 1.298 0 CA-C-O 124.785 2.231 . . . . 0.0 116.053 -179.647 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 65.1 tp60 -57.29 -36.86 71.59 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 111.757 -2.474 . . . . 0.0 113.473 176.913 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 60.2 tttm -60.72 -42.31 97.0 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.616 1.166 . . . . 0.0 112.919 173.845 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 28.9 mmtm -68.83 -41.7 78.22 Favored 'General case' 0 C--O 1.244 0.81 0 CA-C-N 120.662 1.573 . . . . 0.0 113.769 175.934 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.5 mt -54.67 -56.66 9.34 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 169.645 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.531 ' O ' ' HB2' ' A' ' 11' ' ' ALA . 38.6 mt-10 -71.87 -7.03 46.01 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 115.213 1.56 . . . . 0.0 115.213 179.577 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 81.0 mt-10 -76.23 -39.1 55.41 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 124.714 3.415 . . . . 0.0 113.51 161.502 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -83.01 -51.58 7.43 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 119.779 1.172 . . . . 0.0 112.621 173.821 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.85 12.68 0.36 Allowed 'General case' 0 CA--C 1.558 1.255 0 N-CA-C 116.984 2.216 . . . . 0.0 116.984 163.547 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.531 ' HB2' ' O ' ' A' ' 7' ' ' GLU . . . -67.08 -43.01 83.66 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 117.952 -2.968 . . . . 0.0 114.015 150.215 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 53.6 mttp -61.2 -53.43 57.06 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 114.46 -1.245 . . . . 0.0 114.068 -159.097 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . 0.257 3.2 m-85 61.55 -32.59 0.08 Allowed 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 117.781 2.511 . . . . 0.0 117.781 165.373 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.7 pttt -65.47 -37.93 88.28 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 119.591 1.087 . . . . 0.0 110.581 157.385 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -88.89 65.75 7.7 Favored 'General case' 0 CA--C 1.549 0.924 0 CA-C-O 125.522 2.582 . . . . 0.0 110.409 170.267 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.426 ' O ' ' HB2' ' A' ' 20' ' ' LYS . . . -59.93 -39.26 84.87 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 108.702 -3.863 . . . . 0.0 113.999 -175.85 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 29.8 ttm -67.23 -33.63 75.77 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.085 0.954 . . . . 0.0 112.441 176.049 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 45.0 mt -78.73 -49.07 13.71 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 123.429 0.692 . . . . 0.0 111.681 -178.583 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.06 -32.24 67.84 Favored 'General case' 0 CA--C 1.552 1.041 0 CA-C-N 119.496 1.044 . . . . 0.0 113.722 163.378 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.426 ' HB2' ' O ' ' A' ' 16' ' ' ALA . 0.3 OUTLIER -68.82 -27.15 65.59 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 122.244 2.293 . . . . 0.0 112.775 170.992 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 20.9 m -63.85 -36.25 83.3 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 121.367 1.894 . . . . 0.0 114.026 160.417 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . 0.272 0.1 OUTLIER -50.28 -47.29 55.43 Favored 'General case' 0 N--CA 1.483 1.182 0 CA-C-N 120.149 1.341 . . . . 0.0 111.707 161.892 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.263 3.5 m-30 -74.01 -29.45 61.96 Favored 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 113.828 1.047 . . . . 0.0 113.828 -177.051 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -59.0 -43.44 91.49 Favored 'General case' 0 N--CA 1.476 0.825 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 161.826 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.64 -38.74 90.41 Favored Glycine 0 CA--C 1.532 1.129 0 N-CA-C 115.103 0.801 . . . . 0.0 115.103 173.746 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.36 -36.28 83.17 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 118.259 1.029 . . . . 0.0 113.11 171.802 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -66.87 69.78 0.08 Allowed 'General case' 0 CA--C 1.558 1.276 0 CA-C-O 122.813 1.292 . . . . 0.0 113.335 169.873 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.3 mmm180 -111.83 117.58 33.19 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 119.654 -1.904 . . . . 0.0 112.162 165.033 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -154.91 -40.98 0.09 Allowed 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 114.303 -1.317 . . . . 0.0 114.187 -168.611 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -64.27 -83.9 0.02 OUTLIER 'General case' 0 CA--C 1.552 1.045 0 N-CA-C 116.782 2.141 . . . . 0.0 116.782 -176.235 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -170.16 -39.71 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.075 1.35 . . . . 0.0 113.203 -171.334 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -69.32 152.8 44.55 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 115.751 1.76 . . . . 0.0 115.751 -174.663 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 82.0 p -76.17 142.02 41.69 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.805 174.171 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 17.6 p -64.77 -32.74 74.57 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 113.925 1.083 . . . . 0.0 113.925 -171.496 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -71.21 -29.15 64.8 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-O 117.082 -1.437 . . . . 0.0 114.715 175.544 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -72.2 -42.53 65.68 Favored 'General case' 0 CA--C 1.549 0.939 0 CA-C-N 122.827 2.558 . . . . 0.0 111.026 172.031 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.584 ' O ' HD12 ' A' ' 41' ' ' ILE . 42.8 ttt-85 -63.04 -46.51 87.19 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 114.361 -1.29 . . . . 0.0 110.976 173.933 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -84.19 0.73 47.59 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 116.859 2.17 . . . . 0.0 116.859 171.722 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.63 -27.87 64.39 Favored 'General case' 0 CA--C 1.544 0.739 0 O-C-N 119.372 -2.08 . . . . 0.0 112.649 149.297 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 49.0 mtt180 -76.23 -44.73 36.25 Favored 'General case' 0 CA--C 1.553 1.092 0 N-CA-C 113.801 1.038 . . . . 0.0 113.801 165.541 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.584 HD12 ' O ' ' A' ' 37' ' ' ARG 0.278 3.3 mp -65.37 89.09 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.55 0.953 0 CA-C-O 127.023 3.297 . . . . 0.0 113.505 168.928 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.2 mptt -83.38 -9.02 59.3 Favored 'General case' 0 CA--C 1.543 0.685 1 CA-C-N 107.209 -4.541 . . . . 0.0 116.218 -173.284 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 46.5 mm -58.44 -40.63 79.11 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.847 0 N-CA-C 115.341 1.608 . . . . 0.0 115.341 -158.08 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -176.95 159.86 26.62 Favored Glycine 0 CA--C 1.543 1.825 0 CA-C-O 117.897 -1.502 . . . . 0.0 115.328 174.216 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_exo -50.97 -46.32 31.4 Favored 'Trans proline' 0 C--N 1.361 1.198 0 C-N-CA 125.202 3.935 . . . . 0.0 115.534 175.657 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.23 -24.35 63.07 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 114.533 1.309 . . . . 0.0 114.533 173.263 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.78 -53.1 19.86 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-O 118.179 -0.915 . . . . 0.0 109.979 172.091 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -52.59 -40.76 34.87 Favored 'Isoleucine or valine' 0 C--N 1.351 0.638 0 N-CA-C 114.522 1.304 . . . . 0.0 114.522 167.952 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.53 -46.25 83.69 Favored 'General case' 0 CA--C 1.554 1.122 0 N-CA-C 115.087 1.514 . . . . 0.0 115.087 175.193 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.15 -47.76 80.37 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 120.296 1.407 . . . . 0.0 111.459 167.871 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.549 ' CE2' HD13 ' A' ' 41' ' ' ILE . 2.1 t80 -54.06 -54.39 40.0 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.935 1.294 . . . . 0.0 111.979 175.555 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.0 mmtt -63.43 -40.5 97.34 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 114.776 1.398 . . . . 0.0 114.776 179.143 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.431 ' O ' HD12 ' A' ' 57' ' ' ILE . 65.6 m-20 -56.42 -59.25 5.24 Favored 'General case' 0 C--N 1.352 0.69 0 CA-C-N 119.825 1.193 . . . . 0.0 112.405 170.855 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 19.4 m -60.75 -29.61 69.51 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 114.915 1.45 . . . . 0.0 114.915 175.566 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 43.6 t -57.51 -51.01 71.22 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 121.445 1.93 . . . . 0.0 113.245 165.637 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -63.44 -34.23 77.29 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-O 118.184 -0.912 . . . . 0.0 113.433 175.813 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.431 HD12 ' O ' ' A' ' 53' ' ' ASP . 1.8 mp -60.87 -52.49 61.01 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 CA-C-N 119.973 1.26 . . . . 0.0 113.364 163.684 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -52.49 -45.16 66.05 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 119.767 1.167 . . . . 0.0 114.092 177.196 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 24.3 m-80 -65.14 -42.83 93.44 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 113.644 0.979 . . . . 0.0 113.644 172.239 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -64.68 -43.09 94.66 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 173.978 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 78.3 t -62.12 -40.39 87.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 CA-C-N 119.748 1.158 . . . . 0.0 112.371 172.0 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 6.1 tpm_? -61.57 -35.64 78.36 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-N 119.604 1.093 . . . . 0.0 113.493 170.798 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.98 -37.0 67.19 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 114.048 1.129 . . . . 0.0 114.048 169.407 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -69.47 -42.55 74.7 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 119.76 1.164 . . . . 0.0 113.678 171.486 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -125.33 117.15 23.14 Favored 'General case' 0 CA--C 1.549 0.91 0 O-C-N 120.64 -1.288 . . . . 0.0 113.407 179.302 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . . . . . . . . 1 C--N 1.228 -4.694 0 O-C-N 121.28 -0.887 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.3 mpp? . . . . . 0 CA--C 1.549 0.912 0 N-CA-C 113.588 0.959 . . . . 0.0 113.588 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.486 ' O ' HD12 ' A' ' 6' ' ' ILE . 32.3 mt -69.6 -41.33 75.9 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.054 0.941 . . . . 0.0 113.269 -178.139 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 23.9 mp0 -58.39 -38.65 77.75 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.286 1.434 . . . . 0.0 113.259 176.279 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.1 tptp -59.4 -37.11 77.18 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.187 1.395 . . . . 0.0 113.109 171.192 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.9 mmmp? -71.17 -41.57 70.2 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 115.376 1.621 . . . . 0.0 115.376 174.979 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.486 HD12 ' O ' ' A' ' 2' ' ' LEU . 5.3 mp -59.03 -48.25 87.29 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.298 0 CA-C-N 121.296 1.862 . . . . 0.0 109.557 168.094 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -57.37 -37.02 71.99 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-O 117.371 -1.3 . . . . 0.0 112.618 174.281 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -70.77 -45.67 64.31 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 122.555 2.434 . . . . 0.0 114.761 172.578 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -73.33 -52.25 14.56 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 121.933 2.151 . . . . 0.0 113.022 177.483 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.24 5.09 2.36 Favored 'General case' 0 CA--C 1.556 1.185 0 N-CA-C 116.928 2.196 . . . . 0.0 116.928 165.381 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.63 -43.77 46.17 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 117.651 -3.156 . . . . 0.0 112.676 150.06 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 38.9 mtmm -76.65 60.81 1.72 Allowed 'General case' 0 CA--C 1.548 0.881 0 CA-C-O 122.852 1.311 . . . . 0.0 112.511 -173.653 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -61.08 -11.44 8.61 Favored 'General case' 0 CA--C 1.548 0.882 0 N-CA-C 115.403 1.631 . . . . 0.0 115.403 176.311 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.9 ttpt -64.73 -37.76 88.71 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 123.999 0.92 . . . . 0.0 111.49 162.717 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -88.48 68.01 8.69 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-O 124.72 2.2 . . . . 0.0 110.184 173.989 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.433 ' O ' ' HB2' ' A' ' 20' ' ' LYS . . . -56.58 -44.71 81.29 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 109.876 -3.329 . . . . 0.0 114.563 -170.463 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 60.9 mtp -67.75 -28.7 67.86 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 113.332 0.864 . . . . 0.0 113.332 176.669 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 70.5 mt -86.9 -42.85 12.87 Favored 'General case' 0 C--O 1.236 0.392 0 O-C-N 121.528 -0.732 . . . . 0.0 112.272 -174.884 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.0 -32.13 73.57 Favored 'General case' 0 CA--C 1.55 0.963 0 O-C-N 121.178 -0.951 . . . . 0.0 113.05 161.277 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.433 ' HB2' ' O ' ' A' ' 16' ' ' ALA . 0.7 OUTLIER -70.67 -24.18 62.64 Favored 'General case' 0 CA--C 1.549 0.909 0 CA-C-N 122.497 2.408 . . . . 0.0 112.328 171.202 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.7 t -65.95 -39.12 90.18 Favored 'General case' 0 CA--C 1.549 0.938 0 CA-C-N 119.482 1.037 . . . . 0.0 113.202 164.253 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -47.63 -53.17 15.54 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.101 0.56 . . . . 0.0 110.974 158.891 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.423 ' O ' ' HD2' ' A' ' 27' ' ' TYR 0.281 4.3 m-30 -72.75 -22.58 60.83 Favored 'General case' 0 CA--C 1.552 1.04 0 N-CA-C 114.266 1.209 . . . . 0.0 114.266 -175.975 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -58.35 -46.47 86.21 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 120.076 1.307 . . . . 0.0 112.975 158.085 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.46 -41.9 99.65 Favored Glycine 0 CA--C 1.533 1.199 0 N-CA-C 115.104 0.802 . . . . 0.0 115.104 172.475 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.44 -43.44 97.4 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 113.499 0.926 . . . . 0.0 113.499 174.044 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.423 ' HD2' ' O ' ' A' ' 23' ' ' TYR . 58.9 m-85 -72.57 72.24 1.0 Allowed 'General case' 0 CA--C 1.549 0.931 0 CA-C-O 123.267 1.508 . . . . 0.0 113.547 172.539 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 60.0 ttt-85 -95.31 122.88 38.48 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 114.709 -1.132 . . . . 0.0 110.167 166.953 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -86.4 -92.08 0.1 Allowed 'General case' 0 CA--C 1.545 0.772 0 CA-C-O 118.521 -0.752 . . . . 0.0 112.789 -166.251 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -79.91 -77.11 0.19 Allowed 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 120.708 1.594 . . . . 0.0 113.178 -176.361 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -162.87 37.97 0.1 Allowed 'General case' 0 CA--C 1.556 1.183 0 C-N-CA 124.424 1.09 . . . . 0.0 111.901 175.424 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 24.8 pm0 -72.26 159.52 33.93 Favored 'General case' 0 CA--C 1.55 0.959 0 O-C-N 120.527 -1.358 . . . . 0.0 114.334 173.511 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.461 ' O ' ' HG2' ' A' ' 36' ' ' GLU . 63.6 p -85.4 138.94 31.93 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 119.934 -1.729 . . . . 0.0 110.617 173.549 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 72.7 m -63.29 -40.72 98.17 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -179.752 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -76.0 -10.01 59.07 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 115.2 1.556 . . . . 0.0 115.2 -178.406 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.461 ' HG2' ' O ' ' A' ' 33' ' ' THR . 8.8 pt-20 -73.15 -46.98 47.78 Favored 'General case' 0 CA--C 1.551 0.99 0 CA-C-N 123.029 2.65 . . . . 0.0 110.743 163.26 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.569 ' O ' HD12 ' A' ' 41' ' ' ILE . 64.7 mtm180 -62.69 -50.12 72.42 Favored 'General case' 0 C--N 1.344 0.354 0 CA-C-N 114.572 -1.194 . . . . 0.0 110.428 173.809 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -90.41 15.73 10.11 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 115.577 1.695 . . . . 0.0 115.577 175.794 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.41 -54.82 19.95 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 119.523 -1.986 . . . . 0.0 110.383 136.348 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 48.7 tpt85 -64.89 -45.99 83.64 Favored 'General case' 0 CA--C 1.558 1.253 0 N-CA-C 115.167 1.543 . . . . 0.0 115.167 176.637 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.569 HD12 ' O ' ' A' ' 37' ' ' ARG . 3.2 mp -67.28 90.79 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.664 0 CA-C-O 126.575 3.083 . . . . 0.0 111.742 166.63 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.27 42.31 3.1 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-N 109.007 -3.724 . . . . 0.0 112.859 177.975 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 67.5 mt -73.68 -37.85 50.21 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.866 0 O-C-N 121.042 -1.036 . . . . 0.0 111.89 179.66 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -168.38 161.02 34.74 Favored Glycine 0 CA--C 1.547 2.057 0 CA-C-O 118.319 -1.267 . . . . 0.0 115.406 175.216 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_exo -53.51 -48.34 22.47 Favored 'Trans proline' 0 C--N 1.361 1.201 0 C-N-CA 124.954 3.769 . . . . 0.0 115.277 173.279 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.29 -32.57 72.41 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.951 0.901 . . . . 0.0 113.324 172.936 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 15.2 t -65.66 -60.26 3.09 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 117.457 -1.259 . . . . 0.0 109.932 175.262 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -51.26 -39.68 21.46 Favored 'Isoleucine or valine' 0 C--N 1.353 0.731 0 CA-C-N 120.466 1.485 . . . . 0.0 114.598 173.464 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.5 tptp -66.9 -50.2 63.19 Favored 'General case' 0 CA--C 1.553 1.07 0 CA-C-O 117.215 -1.374 . . . . 0.0 114.556 174.963 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.31 -47.86 65.71 Favored 'General case' 0 N--CA 1.482 1.137 0 CA-C-N 120.789 1.631 . . . . 0.0 111.058 168.503 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.504 ' CE2' HD13 ' A' ' 41' ' ' ILE . 2.7 t80 -54.28 -54.83 34.9 Favored 'General case' 0 C--N 1.35 0.62 0 C-N-CA 125.304 1.441 . . . . 0.0 112.152 176.525 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 52.9 tptt -65.46 -34.86 79.28 Favored 'General case' 0 CA--C 1.552 1.036 0 N-CA-C 113.664 0.987 . . . . 0.0 113.664 179.72 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -64.75 -50.37 67.11 Favored 'General case' 0 CA--C 1.551 0.999 0 O-C-N 120.452 -1.405 . . . . 0.0 113.188 173.203 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 9.8 m -63.29 -27.55 69.41 Favored 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 114.562 1.319 . . . . 0.0 114.562 170.106 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 47.4 t -59.79 -42.28 93.03 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 120.323 1.42 . . . . 0.0 113.014 163.892 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -59.05 -37.28 76.62 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-O 117.938 -1.03 . . . . 0.0 113.486 167.527 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 25.4 mm -59.13 -51.96 66.37 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.312 0 CA-C-N 121.268 1.849 . . . . 0.0 113.806 164.492 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.02 -40.15 66.77 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 176.414 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -67.78 -42.04 82.28 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 114.443 1.275 . . . . 0.0 114.443 169.905 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -60.29 -46.21 90.65 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 120.404 1.456 . . . . 0.0 112.857 170.298 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 91.3 t -61.86 -38.27 80.17 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.856 0 CA-C-N 119.421 1.01 . . . . 0.0 112.804 173.487 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 4.4 tpp180 -61.75 -39.89 93.2 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 113.236 0.828 . . . . 0.0 113.236 172.279 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.75 -49.46 20.89 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 113.851 1.056 . . . . 0.0 113.851 172.48 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -76.06 61.91 1.6 Allowed 'General case' 0 CA--C 1.551 1.019 0 CA-C-O 122.985 1.374 . . . . 0.0 113.921 -177.233 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -107.05 -52.4 2.77 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-O 117.958 -1.02 . . . . 0.0 113.389 175.136 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . . . . . . . . 1 C--N 1.233 -4.477 0 CA-C-N 119.84 1.2 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 34.1 ttm . . . . . 0 CA--C 1.55 0.969 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.483 ' O ' HD12 ' A' ' 6' ' ' ILE . 63.2 mt 48.46 -100.6 0.07 Allowed 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 126.541 1.936 . . . . 0.0 114.636 179.327 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -62.45 -42.64 99.61 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.696 1.198 . . . . 0.0 111.848 -177.233 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 54.8 mmtt -65.61 -24.57 67.09 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 175.006 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.2 tmtm? -76.31 -40.88 50.31 Favored 'General case' 0 CA--C 1.549 0.931 0 CA-C-N 118.652 0.66 . . . . 0.0 112.056 175.515 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.483 HD12 ' O ' ' A' ' 2' ' ' LEU . 4.0 mp -60.36 -48.47 88.16 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 CA-C-O 118.163 -0.922 . . . . 0.0 109.666 165.616 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -56.13 -57.66 11.22 Favored 'General case' 0 C--N 1.35 0.602 0 CA-C-O 115.706 -2.093 . . . . 0.0 112.297 176.101 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.423 ' O ' ' HG3' ' A' ' 12' ' ' LYS 0.356 1.4 pp20? -69.73 -14.93 63.04 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 124.676 3.398 . . . . 0.0 115.077 -179.548 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.08 -61.95 1.63 Allowed 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 125.355 3.707 . . . . 0.0 113.419 163.039 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.3 -2.08 4.05 Favored 'General case' 0 CA--C 1.555 1.163 0 N-CA-C 117.384 2.364 . . . . 0.0 117.384 175.218 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -84.12 -28.51 27.42 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 124.053 3.115 . . . . 0.0 114.781 156.612 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.423 ' HG3' ' O ' ' A' ' 8' ' ' GLU . 42.4 mttp -68.69 -51.11 45.3 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 120.168 1.349 . . . . 0.0 112.886 -176.601 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 63.13 -31.77 0.1 Allowed 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 126.536 1.934 . . . . 0.0 116.174 -177.755 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.8 mttp -61.33 -37.53 83.63 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 126.64 1.976 . . . . 0.0 112.367 168.59 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 6.7 m-30 -76.49 65.34 2.33 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-O 123.877 1.799 . . . . 0.0 111.176 165.343 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.53 -47.09 82.94 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 111.623 -2.535 . . . . 0.0 116.074 -166.479 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 47.8 mtm -69.89 -33.35 72.1 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.407 1.083 . . . . 0.0 113.394 177.747 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 24.5 mt -77.68 -45.48 24.78 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-O 121.418 0.627 . . . . 0.0 111.439 -177.006 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.49 -38.09 76.89 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 163.597 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.2 ttpp -62.39 -39.76 94.27 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 121.016 1.735 . . . . 0.0 111.151 169.823 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 12.7 m -54.25 -41.64 69.0 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 122.693 2.497 . . . . 0.0 114.116 167.408 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -48.62 -53.96 16.48 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 118.892 0.769 . . . . 0.0 111.69 164.792 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.259 7.4 m-30 -74.11 -25.38 59.75 Favored 'General case' 0 CA--C 1.55 0.974 0 N-CA-C 114.412 1.264 . . . . 0.0 114.412 -175.117 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -61.93 -36.72 82.23 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.251 1.02 . . . . 0.0 113.319 161.858 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.4 -44.38 65.24 Favored Glycine 0 CA--C 1.534 1.244 0 CA-C-O 119.305 -0.72 . . . . 0.0 114.714 168.435 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.33 -33.39 75.43 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 114.394 1.257 . . . . 0.0 114.394 176.375 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -82.04 61.79 5.49 Favored 'General case' 0 CA--C 1.551 0.988 0 O-C-N 120.595 -1.315 . . . . 0.0 113.455 167.83 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 58.6 ttt180 -94.01 145.51 24.61 Favored 'General case' 0 CA--C 1.549 0.922 0 O-C-N 121.37 -0.831 . . . . 0.0 111.923 170.095 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -98.2 151.39 20.48 Favored 'General case' 0 CA--C 1.545 0.781 0 O-C-N 121.368 -0.833 . . . . 0.0 110.828 177.565 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -68.91 44.14 0.04 OUTLIER 'General case' 0 CA--C 1.556 1.201 0 N-CA-C 115.869 1.804 . . . . 0.0 115.869 -176.988 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -154.54 -68.42 0.13 Allowed 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.102 1.361 . . . . 0.0 112.592 -174.148 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -66.79 151.72 46.93 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 116.055 1.872 . . . . 0.0 116.055 174.524 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 71.4 p -94.42 137.95 32.95 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 114.28 -1.327 . . . . 0.0 110.038 170.543 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.1 p -60.12 -27.36 66.98 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 114.439 1.274 . . . . 0.0 114.439 -176.777 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 56.6 mp0 -65.4 -25.1 67.4 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.544 1.137 . . . . 0.0 113.886 176.954 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -66.76 -55.84 13.19 Favored 'General case' 0 CA--C 1.547 0.849 0 CA-C-N 121.094 1.77 . . . . 0.0 111.011 173.192 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.61 ' O ' HD12 ' A' ' 41' ' ' ILE . 45.6 mtm180 -58.14 -49.19 77.83 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 113.05 -1.887 . . . . 0.0 111.658 172.976 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -84.28 2.33 40.61 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 116.429 2.011 . . . . 0.0 116.429 178.011 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.97 -33.21 71.78 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 119.677 -1.89 . . . . 0.0 112.305 147.603 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 81.3 mtp180 -78.91 -43.27 25.15 Favored 'General case' 0 CA--C 1.555 1.168 0 N-CA-C 115.54 1.681 . . . . 0.0 115.54 167.085 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.61 HD12 ' O ' ' A' ' 37' ' ' ARG 0.296 3.3 mp -63.99 90.22 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.549 0.94 0 CA-C-O 126.836 3.208 . . . . 0.0 114.298 171.136 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -98.71 13.29 32.75 Favored 'General case' 0 CA--C 1.546 0.825 1 CA-C-N 107.327 -4.488 . . . . 0.0 115.758 -177.002 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 47.8 mm -64.82 -37.28 79.76 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.918 0 O-C-N 120.899 -1.125 . . . . 0.0 113.815 -170.312 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -176.08 160.03 27.72 Favored Glycine 0 CA--C 1.544 1.887 0 CA-C-O 117.912 -1.494 . . . . 0.0 114.845 173.056 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_exo -52.59 -49.49 17.31 Favored 'Trans proline' 0 C--N 1.36 1.181 0 C-N-CA 124.889 3.726 . . . . 0.0 115.528 175.662 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 23.8 tttm -73.43 -18.67 61.11 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 123.32 0.648 . . . . 0.0 112.588 178.088 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.66 -55.95 8.6 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.141 0.976 . . . . 0.0 109.915 168.936 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -52.32 -39.56 28.49 Favored 'Isoleucine or valine' 0 C--N 1.353 0.733 0 N-CA-C 114.726 1.38 . . . . 0.0 114.726 170.487 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -63.43 -51.08 67.23 Favored 'General case' 0 CA--C 1.551 1.0 0 N-CA-C 114.497 1.295 . . . . 0.0 114.497 171.816 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.17 -47.75 62.09 Favored 'General case' 0 N--CA 1.483 1.182 0 CA-C-N 121.578 1.99 . . . . 0.0 110.684 169.307 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.574 ' CE2' HD13 ' A' ' 41' ' ' ILE . 2.2 t80 -54.85 -57.58 11.02 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.281 1.432 . . . . 0.0 112.732 175.687 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 47.8 tptt -65.58 -36.78 84.76 Favored 'General case' 0 CA--C 1.55 0.959 0 N-CA-C 114.064 1.135 . . . . 0.0 114.064 -178.045 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -71.45 -42.49 68.11 Favored 'General case' 0 CA--C 1.549 0.904 0 O-C-N 120.046 -1.659 . . . . 0.0 113.711 175.507 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 2.2 m -61.34 -32.64 72.53 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 113.968 1.099 . . . . 0.0 113.968 165.549 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 47.7 t -59.89 -41.54 91.83 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 120.463 1.483 . . . . 0.0 113.674 166.586 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -54.06 -48.72 70.31 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 119.685 1.13 . . . . 0.0 112.614 167.117 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 24.6 mm -58.55 -47.5 88.27 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 N-CA-C 113.3 0.852 . . . . 0.0 113.3 172.752 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.05 -49.78 68.22 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 123.822 0.849 . . . . 0.0 113.24 173.649 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.03 -36.18 83.53 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 113.083 0.772 . . . . 0.0 113.083 176.25 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -66.53 -40.91 89.37 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 119.827 1.194 . . . . 0.0 113.491 171.097 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 92.5 t -64.58 -53.25 44.75 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.726 0 CA-C-N 119.212 0.914 . . . . 0.0 112.194 171.82 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? -65.61 -16.99 64.26 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 114.998 1.481 . . . . 0.0 114.998 -177.764 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.83 -28.9 67.15 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 113.937 1.088 . . . . 0.0 113.937 166.451 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -112.97 -40.28 4.01 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 114.182 1.179 . . . . 0.0 114.182 178.341 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -124.34 123.06 39.37 Favored 'General case' 0 CA--C 1.546 0.805 0 O-C-N 120.437 -1.414 . . . . 0.0 112.96 -176.105 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . . . . . . . . 1 C--N 1.23 -4.61 0 O-C-N 121.927 -0.483 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.4 ptp . . . . . 0 CA--C 1.555 1.153 0 N-CA-C 114.944 1.461 . . . . 0.0 114.944 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.451 ' O ' HD12 ' A' ' 6' ' ' ILE . 81.8 mt 63.51 53.82 2.04 Favored 'General case' 0 CA--C 1.554 1.105 0 C-N-CA 126.37 1.868 . . . . 0.0 115.721 174.498 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -54.03 -49.45 68.89 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 115.098 1.518 . . . . 0.0 115.098 -178.734 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -55.66 -37.19 67.93 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.24 1.416 . . . . 0.0 112.742 177.728 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.5 mmmp? -66.17 -50.49 63.74 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 116.823 -1.56 . . . . 0.0 113.279 173.621 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.451 HD12 ' O ' ' A' ' 2' ' ' LEU . 5.3 mp -60.04 -46.97 93.6 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.242 0 CA-C-N 121.694 2.043 . . . . 0.0 110.538 172.602 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -57.27 -48.65 78.34 Favored 'General case' 0 C--N 1.344 0.348 0 CA-C-O 114.989 -2.434 . . . . 0.0 112.742 178.772 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -83.51 -24.99 31.45 Favored 'General case' 0 CA--C 1.549 0.924 0 CA-C-N 125.976 3.989 . . . . 0.0 115.451 175.679 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -73.99 -32.73 63.54 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 122.508 2.413 . . . . 0.0 112.685 175.447 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.71 -87.74 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.863 0 CA-C-O 116.966 -1.492 . . . . 0.0 114.809 147.59 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.51 -20.65 8.16 Favored 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 119.296 3.073 . . . . 0.0 119.296 -149.874 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.3 ttmt -69.82 -28.02 65.36 Favored 'General case' 0 CA--C 1.55 0.959 0 CA-C-N 119.076 0.853 . . . . 0.0 111.754 173.627 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 22.2 m-30 54.96 1.26 0.04 OUTLIER 'General case' 0 CA--C 1.551 0.983 0 N-CA-C 118.89 2.922 . . . . 0.0 118.89 171.305 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 31.3 mmtm -65.02 -48.45 73.86 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 120.76 1.618 . . . . 0.0 111.569 176.026 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -81.6 62.44 5.45 Favored 'General case' 0 CA--C 1.553 1.068 0 CA-C-O 123.246 1.498 . . . . 0.0 112.203 167.516 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.4 -40.89 83.62 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 115.748 1.758 . . . . 0.0 115.748 -174.176 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -68.62 -26.13 65.2 Favored 'General case' 0 CA--C 1.546 0.827 0 N-CA-C 113.391 0.886 . . . . 0.0 113.391 175.117 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 59.5 mt -86.65 -38.45 17.03 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 121.434 -0.792 . . . . 0.0 111.628 179.763 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.6 tmtt? -52.86 -44.2 66.65 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 114.42 1.267 . . . . 0.0 114.42 154.935 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -66.74 -25.2 66.39 Favored 'General case' 0 CA--C 1.557 1.226 0 O-C-N 119.695 -1.878 . . . . 0.0 112.139 173.418 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 7.2 t -68.43 -38.55 81.29 Favored 'General case' 0 CA--C 1.553 1.094 0 O-C-N 120.49 -1.382 . . . . 0.0 113.979 165.183 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.2 t -47.0 -51.13 17.92 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 119.122 0.873 . . . . 0.0 110.519 159.279 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.314 6.7 m-30 -74.42 -21.37 59.66 Favored 'General case' 0 CA--C 1.551 0.998 0 N-CA-C 114.611 1.337 . . . . 0.0 114.611 -176.351 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -58.3 -45.32 88.21 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 119.901 1.228 . . . . 0.0 113.237 155.734 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.59 -45.99 95.27 Favored Glycine 0 CA--C 1.533 1.206 0 N-CA-C 114.747 0.659 . . . . 0.0 114.747 171.478 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.06 -39.92 91.68 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 175.06 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 36.4 m-85 -69.89 75.2 0.46 Allowed 'General case' 0 CA--C 1.549 0.914 0 CA-C-O 122.991 1.377 . . . . 0.0 113.472 168.828 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 67.6 ttt-85 -99.96 116.97 33.24 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-O 121.998 0.904 . . . . 0.0 109.72 165.973 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -105.27 -76.57 0.6 Allowed 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.287 -157.634 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -72.45 -82.52 0.05 OUTLIER 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 124.25 1.02 . . . . 0.0 112.432 176.954 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -165.63 63.44 0.11 Allowed 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 125.704 1.602 . . . . 0.0 108.656 162.122 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -67.88 138.39 56.0 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 115.028 1.492 . . . . 0.0 115.028 -178.067 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.5 p -77.33 114.43 16.14 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-O 122.021 0.915 . . . . 0.0 111.257 170.282 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 93.7 m -56.77 -49.51 75.06 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 114.437 1.273 . . . . 0.0 114.437 -166.744 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.07 -30.47 67.72 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 114.299 1.222 . . . . 0.0 114.299 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -71.68 -46.63 58.26 Favored 'General case' 0 C--O 1.243 0.754 0 CA-C-N 121.456 1.935 . . . . 0.0 111.965 172.748 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.576 ' O ' HD12 ' A' ' 41' ' ' ILE . 27.3 ttp180 -57.81 -51.73 68.4 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 114.825 -1.079 . . . . 0.0 110.822 172.105 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -82.75 -0.98 50.17 Favored 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 116.985 2.217 . . . . 0.0 116.985 176.26 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.61 -38.04 86.13 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 119.402 -2.061 . . . . 0.0 112.166 150.942 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 56.3 mtt85 -71.66 -37.56 70.79 Favored 'General case' 0 CA--C 1.551 1.018 0 N-CA-C 114.39 1.256 . . . . 0.0 114.39 169.932 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.585 HD13 ' CE2' ' A' ' 51' ' ' PHE 0.308 3.4 mp -72.55 84.37 0.4 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.951 0 CA-C-O 127.119 3.342 . . . . 0.0 113.4 167.626 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 29.7 mmtm -91.34 7.38 41.25 Favored 'General case' 0 CA--C 1.544 0.748 1 CA-C-N 107.152 -4.567 . . . . 0.0 116.288 -175.466 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 46.8 mm -66.05 -35.65 75.56 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.893 0 N-CA-C 113.992 1.108 . . . . 0.0 113.992 -168.146 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -173.81 156.53 24.02 Favored Glycine 0 CA--C 1.546 1.993 0 CA-C-O 117.738 -1.59 . . . . 0.0 115.16 173.476 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_exo -52.36 -46.92 29.73 Favored 'Trans proline' 0 C--N 1.361 1.2 0 C-N-CA 124.933 3.755 . . . . 0.0 115.671 174.929 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 49.9 tttm -71.42 -25.57 62.39 Favored 'General case' 0 CA--C 1.551 0.984 0 N-CA-C 112.813 0.672 . . . . 0.0 112.813 177.042 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 17.8 t -64.7 -59.0 4.75 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-O 117.425 -1.274 . . . . 0.0 109.384 169.846 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -49.02 -41.77 13.89 Favored 'Isoleucine or valine' 0 C--N 1.354 0.799 0 CA-C-N 120.21 1.368 . . . . 0.0 114.477 171.351 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -61.99 -54.42 41.91 Favored 'General case' 0 CA--C 1.558 1.277 0 N-CA-C 115.442 1.645 . . . . 0.0 115.442 174.979 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.08 -47.62 68.38 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 124.719 1.207 . . . . 0.0 110.555 169.096 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.585 ' CE2' HD13 ' A' ' 41' ' ' ILE . 2.8 t80 -54.31 -54.93 33.72 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.264 1.426 . . . . 0.0 112.559 175.396 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 59.3 tttm -56.74 -46.9 81.09 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.504 1.522 . . . . 0.0 112.972 -179.462 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -66.46 -47.26 73.66 Favored 'General case' 0 CA--C 1.552 1.044 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 178.667 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.8 m -61.08 -34.49 75.0 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 114.624 1.342 . . . . 0.0 114.624 169.353 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -65.72 -33.54 76.12 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 120.506 1.503 . . . . 0.0 112.748 172.607 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -58.81 -48.84 79.9 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 119.278 0.944 . . . . 0.0 112.4 163.862 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 23.2 mm -60.05 -41.23 85.66 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 N-CA-C 114.097 1.147 . . . . 0.0 114.097 174.478 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.23 -50.26 69.9 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.544 0.738 . . . . 0.0 112.824 171.63 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -61.88 -40.52 95.7 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 171.566 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -60.76 -52.6 64.4 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-O 117.205 -1.379 . . . . 0.0 114.063 172.233 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 34.0 m -66.61 -29.7 47.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 CA-C-N 121.825 2.102 . . . . 0.0 114.129 179.558 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 52.1 mtp85 -69.29 -34.37 74.6 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 114.032 1.123 . . . . 0.0 114.032 168.384 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -81.43 -51.38 8.37 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 119.84 1.2 . . . . 0.0 113.893 172.139 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -80.1 61.86 4.09 Favored 'General case' 0 CA--C 1.55 0.957 0 CA-C-O 123.205 1.478 . . . . 0.0 112.37 -177.081 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 10.8 tp60 -113.52 -43.95 3.27 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-O 117.819 -1.086 . . . . 0.0 113.928 -179.253 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . . . . . . . . 1 C--N 1.233 -4.485 0 CA-C-N 120.087 1.312 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.6 mmm . . . . . 0 CA--C 1.547 0.832 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.469 ' O ' HD12 ' A' ' 6' ' ' ILE . 46.2 mt -80.53 33.17 0.3 Allowed 'General case' 0 CA--C 1.554 1.105 0 O-C-N 119.978 -1.701 . . . . 0.0 115.4 -167.607 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 25.6 mm100 -62.81 -50.79 69.59 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 114.847 1.425 . . . . 0.0 114.847 -168.334 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 60.2 tttm -53.76 -39.33 65.25 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.109 0.964 . . . . 0.0 112.525 174.707 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -65.17 -43.78 90.6 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 124.86 1.264 . . . . 0.0 113.598 179.391 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.469 HD12 ' O ' ' A' ' 2' ' ' LEU . 4.7 mp -68.07 -53.17 31.55 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 CA-C-N 120.017 1.281 . . . . 0.0 110.448 166.85 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.72 -31.38 66.36 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-O 116.986 -1.483 . . . . 0.0 113.679 -175.486 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -85.12 -43.75 13.59 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-N 123.416 2.826 . . . . 0.0 114.981 167.938 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 47.0 mm-40 -89.24 14.03 11.94 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 123.861 3.028 . . . . 0.0 113.988 178.143 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.427 ' O ' ' HD1' ' A' ' 13' ' ' TYR . . . -86.54 -71.84 0.53 Allowed 'General case' 0 CA--C 1.549 0.914 0 O-C-N 118.846 -2.409 . . . . 0.0 116.538 124.633 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.44 -14.36 40.06 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 119.115 3.006 . . . . 0.0 119.115 -157.963 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 68.3 mttt -64.6 -39.44 93.72 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 121.985 2.175 . . . . 0.0 112.733 168.844 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.427 ' HD1' ' O ' ' A' ' 10' ' ' ALA . 0.2 OUTLIER 44.5 24.04 0.09 Allowed 'General case' 0 CA--C 1.553 1.058 0 N-CA-C 118.579 2.807 . . . . 0.0 118.579 178.999 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 31.8 mmtm -78.01 -56.13 4.74 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.317 1.047 . . . . 0.0 111.15 172.026 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.449 ' O ' ' HD3' ' A' ' 19' ' ' LYS . 47.6 m-85 -85.53 70.86 10.8 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-O 124.418 2.056 . . . . 0.0 110.251 170.05 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.29 -36.1 65.8 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 110.723 -2.944 . . . . 0.0 114.539 -171.763 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 35.9 ttm -64.34 -32.94 74.75 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 124.568 1.147 . . . . 0.0 113.283 174.279 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 69.7 mt -86.82 -36.46 18.5 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 120.897 -1.127 . . . . 0.0 112.263 -177.622 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.449 ' HD3' ' O ' ' A' ' 15' ' ' TYR . 10.2 mptt -59.72 -38.61 82.16 Favored 'General case' 0 CA--C 1.563 1.479 0 N-CA-C 113.361 0.875 . . . . 0.0 113.361 159.608 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.91 -30.69 70.08 Favored 'General case' 0 CA--C 1.555 1.138 0 O-C-N 118.815 -2.428 . . . . 0.0 111.684 167.456 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.435 ' O ' ' HD1' ' A' ' 51' ' ' PHE . 10.2 t -58.33 -39.56 79.76 Favored 'General case' 0 CA--C 1.553 1.092 0 CA-C-N 121.792 2.087 . . . . 0.0 112.561 164.823 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -46.6 -57.03 5.16 Favored 'General case' 0 N--CA 1.485 1.281 0 CA-C-N 120.029 1.286 . . . . 0.0 110.834 159.062 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.311 9.8 m-30 -69.97 -25.21 63.51 Favored 'General case' 0 CA--C 1.555 1.149 0 N-CA-C 115.698 1.74 . . . . 0.0 115.698 -174.577 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -65.57 -28.05 68.87 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 114.983 1.475 . . . . 0.0 114.983 160.799 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -78.09 -32.38 44.32 Favored Glycine 0 CA--C 1.534 1.266 0 CA-C-N 119.043 0.838 . . . . 0.0 114.559 167.267 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.68 -50.03 54.25 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 118.512 1.156 . . . . 0.0 113.884 174.554 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -78.52 59.36 2.4 Favored 'General case' 0 CA--C 1.553 1.069 0 CA-C-N 120.06 1.3 . . . . 0.0 114.022 -179.34 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 21.9 mmt180 -114.32 113.39 24.51 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 114.811 1.412 . . . . 0.0 114.811 -177.181 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -66.88 152.14 46.22 Favored 'General case' 0 CA--C 1.551 1.005 0 N-CA-C 115.854 1.798 . . . . 0.0 115.854 179.156 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -57.01 -23.77 48.73 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 118.194 2.665 . . . . 0.0 118.194 -160.811 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -69.27 -30.94 69.16 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 175.556 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -74.81 114.75 13.61 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 179.034 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.3 p -80.58 99.01 7.89 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-O 123.418 1.58 . . . . 0.0 109.109 168.872 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -64.13 -46.66 83.13 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 112.557 -2.111 . . . . 0.0 113.973 -157.532 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.9 pm0 -69.09 -29.76 67.92 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 113.985 1.106 . . . . 0.0 113.985 -178.961 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.4 mp0 -64.41 -53.27 51.06 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-O 122.696 1.236 . . . . 0.0 111.81 172.687 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.56 ' O ' HG13 ' A' ' 41' ' ' ILE . 52.1 mtt85 -62.02 -48.1 81.81 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 113.759 -1.564 . . . . 0.0 111.511 173.561 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.46 -5.69 46.33 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 122.557 2.435 . . . . 0.0 117.071 175.175 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.29 -41.04 86.1 Favored 'General case' 0 CA--C 1.546 0.818 0 O-C-N 119.597 -1.939 . . . . 0.0 112.236 151.887 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 -77.07 -17.5 58.7 Favored 'General case' 0 CA--C 1.556 1.183 0 N-CA-C 115.85 1.796 . . . . 0.0 115.85 172.011 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.56 HG13 ' O ' ' A' ' 37' ' ' ARG 0.32 62.5 mt -79.17 74.9 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 CA-C-O 126.871 3.224 . . . . 0.0 113.283 -179.858 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -95.96 37.87 1.21 Allowed 'General case' 0 CA--C 1.548 0.878 0 CA-C-N 109.308 -3.587 . . . . 0.0 114.053 -175.016 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 95.4 mt -74.53 -49.86 29.13 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.781 0 O-C-N 121.459 -0.776 . . . . 0.0 112.612 179.301 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -156.66 138.4 5.92 Favored Glycine 0 CA--C 1.544 1.874 0 CA-C-O 115.917 -2.602 . . . . 0.0 113.539 -179.825 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -50.55 -53.26 7.42 Favored 'Trans proline' 0 C--N 1.361 1.233 0 CA-C-N 124.184 3.992 . . . . 0.0 117.03 -178.209 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 39.5 mttm -63.13 -33.67 75.95 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 113.812 1.041 . . . . 0.0 113.812 172.8 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 3.6 t -64.26 -63.3 1.18 Allowed 'General case' 0 C--N 1.348 0.51 0 CA-C-O 115.461 -2.209 . . . . 0.0 108.064 176.122 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -49.23 -44.9 17.55 Favored 'Isoleucine or valine' 0 C--N 1.357 0.92 0 CA-C-N 122.359 2.345 . . . . 0.0 115.164 172.449 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -55.3 -61.78 2.11 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-N 121.284 1.856 . . . . 0.0 113.153 175.42 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.21 -51.05 63.39 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 123.946 0.898 . . . . 0.0 111.193 175.309 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.435 ' HD1' ' O ' ' A' ' 21' ' ' CYS . 62.5 t80 -58.89 -50.6 73.41 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 114.844 1.424 . . . . 0.0 114.844 178.555 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 20.1 pttp -66.26 -35.86 81.5 Favored 'General case' 0 CA--C 1.551 0.984 0 CA-C-N 119.958 1.253 . . . . 0.0 111.476 -178.929 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 48.4 m-20 -71.45 -40.77 70.13 Favored 'General case' 0 CA--C 1.547 0.864 0 O-C-N 121.463 -0.773 . . . . 0.0 111.666 178.679 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 4.6 m -63.71 -31.15 72.23 Favored 'General case' 0 CA--C 1.553 1.089 0 N-CA-C 114.82 1.415 . . . . 0.0 114.82 164.861 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 3.2 m -56.71 -41.27 77.14 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 122.098 2.227 . . . . 0.0 113.767 162.279 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -56.75 -44.97 82.26 Favored 'General case' 0 CA--C 1.549 0.922 0 CA-C-O 117.88 -1.057 . . . . 0.0 112.438 167.01 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 30.6 mm -56.86 -48.34 81.47 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 CA-C-N 120.757 1.617 . . . . 0.0 113.921 167.997 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.3 -48.67 71.04 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 173.442 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -65.85 -35.79 81.65 Favored 'General case' 0 CA--C 1.549 0.923 0 N-CA-C 113.714 1.005 . . . . 0.0 113.714 173.724 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -60.1 -46.38 89.8 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 119.481 1.037 . . . . 0.0 112.244 169.354 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 87.9 t -62.6 -39.25 83.9 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.858 0 CA-C-N 119.14 0.882 . . . . 0.0 112.913 172.878 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -60.23 -40.4 90.07 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 119.842 1.201 . . . . 0.0 113.543 170.834 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.4 -52.24 11.22 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 173.679 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -79.9 69.65 6.3 Favored 'General case' 0 CA--C 1.552 1.02 0 CA-C-O 123.751 1.739 . . . . 0.0 112.56 -176.102 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -104.56 -51.79 3.02 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 114.761 -1.109 . . . . 0.0 113.384 173.526 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . . . . . . . . 1 C--N 1.233 -4.469 0 CA-C-N 119.816 1.189 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.548 0.895 0 N-CA-C 114.781 1.4 . . . . 0.0 114.781 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 65.4 mt -68.53 -18.58 64.39 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 124.686 1.194 . . . . 0.0 113.833 176.917 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 23.6 mp0 -53.95 -40.51 66.86 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.845 1.658 . . . . 0.0 112.434 173.356 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 58.5 tttm -55.18 -39.5 69.65 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.878 1.271 . . . . 0.0 112.692 173.866 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 15.6 mmtt -76.0 -36.75 59.05 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 115.071 1.508 . . . . 0.0 115.071 175.464 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.3 mp -58.24 -48.6 84.35 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.248 0 CA-C-N 120.987 1.721 . . . . 0.0 109.659 165.107 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.49 -51.85 68.13 Favored 'General case' 0 C--O 1.218 -0.572 0 CA-C-O 115.23 -2.319 . . . . 0.0 112.823 173.556 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -60.03 -37.94 81.25 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 125.888 3.949 . . . . 0.0 115.473 178.465 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -77.92 -55.48 5.27 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 122.239 2.291 . . . . 0.0 113.49 172.841 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.83 1.46 6.97 Favored 'General case' 0 CA--C 1.556 1.196 0 N-CA-C 118.212 2.671 . . . . 0.0 118.212 171.394 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.54 -46.19 13.69 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 124.689 3.404 . . . . 0.0 114.67 158.884 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.9 mtmp? -62.46 -43.54 98.57 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 114.937 1.458 . . . . 0.0 114.937 -171.75 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 64.6 -20.88 0.07 Allowed 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 116.874 2.175 . . . . 0.0 116.874 175.739 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -61.37 -39.68 91.54 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 120.891 1.678 . . . . 0.0 111.537 166.594 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -80.18 61.0 3.86 Favored 'General case' 0 CA--C 1.549 0.928 0 CA-C-O 123.225 1.488 . . . . 0.0 111.108 167.665 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.72 -45.17 95.28 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 113.304 -1.771 . . . . 0.0 114.702 -172.617 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 11.3 tpt -66.19 -30.02 70.4 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.015 0.926 . . . . 0.0 112.537 175.394 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 53.6 mt -84.62 -39.72 18.33 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.309 -0.869 . . . . 0.0 111.863 -177.243 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.4 tmtt? -60.08 -39.11 84.97 Favored 'General case' 0 CA--C 1.552 1.029 0 O-C-N 121.106 -0.996 . . . . 0.0 113.609 159.259 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -67.19 -28.15 67.86 Favored 'General case' 0 CA--C 1.552 1.038 0 O-C-N 119.29 -2.131 . . . . 0.0 111.856 170.431 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.7 t -64.04 -38.15 90.02 Favored 'General case' 0 CA--C 1.551 0.989 0 O-C-N 120.257 -1.527 . . . . 0.0 113.692 166.011 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -48.54 -54.69 13.45 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-N 118.982 0.81 . . . . 0.0 110.987 159.601 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.415 ' O ' ' HD2' ' A' ' 27' ' ' TYR 0.281 6.8 m-30 -73.44 -23.43 60.11 Favored 'General case' 0 CA--C 1.552 1.023 0 N-CA-C 114.343 1.238 . . . . 0.0 114.343 -174.601 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -58.35 -48.31 80.97 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.702 1.201 . . . . 0.0 111.422 159.687 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.81 -37.3 94.62 Favored Glycine 0 CA--C 1.534 1.234 0 N-CA-C 115.339 0.896 . . . . 0.0 115.339 171.737 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.59 -41.07 93.95 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 118.468 1.134 . . . . 0.0 112.975 170.228 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.415 ' HD2' ' O ' ' A' ' 23' ' ' TYR . 59.6 m-85 -72.65 72.45 1.03 Allowed 'General case' 0 CA--C 1.552 1.035 0 CA-C-O 123.348 1.547 . . . . 0.0 113.582 168.46 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.8 tpt85 -70.89 109.55 5.11 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 124.207 1.003 . . . . 0.0 111.077 168.791 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 12.4 p30 -136.29 -115.77 0.17 Allowed 'General case' 0 CA--C 1.551 0.999 0 O-C-N 120.212 -1.555 . . . . 0.0 113.884 -169.724 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -76.67 55.46 1.05 Allowed 'General case' 0 CA--C 1.549 0.923 0 CA-C-N 121.665 2.03 . . . . 0.0 113.195 -175.765 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -139.93 149.11 42.93 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.083 0.953 . . . . 0.0 113.343 -176.121 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -73.74 -57.66 3.83 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 122.883 0.473 . . . . 0.0 110.453 173.238 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 12.4 t -143.79 165.05 28.75 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-O 122.023 0.916 . . . . 0.0 113.215 179.973 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 75.1 m -58.41 -54.65 44.63 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.767 1.627 . . . . 0.0 114.292 -169.932 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -75.05 -6.63 50.48 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 114.11 1.152 . . . . 0.0 114.11 -178.058 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -78.59 -54.51 6.06 Favored 'General case' 0 CA--C 1.546 0.815 0 O-C-N 120.85 -1.156 . . . . 0.0 110.572 168.068 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.578 ' O ' HD12 ' A' ' 41' ' ' ILE . 18.5 ttp180 -64.64 -40.44 95.47 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-O 118.84 -0.6 . . . . 0.0 110.796 172.831 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . 0.268 . . -87.51 10.08 18.88 Favored 'General case' 0 CA--C 1.551 0.993 0 N-CA-C 116.568 2.062 . . . . 0.0 116.568 170.87 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.57 -39.09 74.12 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 119.162 -2.211 . . . . 0.0 111.883 142.871 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 63.9 mtt85 -70.16 -44.18 69.33 Favored 'General case' 0 CA--C 1.552 1.056 0 N-CA-C 114.087 1.143 . . . . 0.0 114.087 169.738 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.578 HD12 ' O ' ' A' ' 37' ' ' ARG 0.28 3.3 mp -68.75 86.48 0.16 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.959 0 CA-C-O 126.902 3.239 . . . . 0.0 113.268 167.417 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 29.2 mmtm -92.6 2.41 56.72 Favored 'General case' 0 CA--C 1.545 0.757 1 CA-C-N 107.218 -4.537 . . . . 0.0 116.528 -175.7 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 72.7 mt -64.07 -35.39 73.49 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.963 0 N-CA-C 114.58 1.326 . . . . 0.0 114.58 -163.671 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -177.48 168.67 40.44 Favored Glycine 0 CA--C 1.545 1.938 0 CA-C-N 120.609 1.55 . . . . 0.0 116.491 173.664 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -63.12 -45.97 11.27 Favored 'Trans proline' 0 C--N 1.359 1.1 0 C-N-CA 124.332 3.355 . . . . 0.0 115.414 179.904 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 52.4 mttt -64.2 -27.98 69.43 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 113.604 0.964 . . . . 0.0 113.604 169.654 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 8.6 t -65.22 -60.69 2.72 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-O 117.068 -1.444 . . . . 0.0 109.073 173.437 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -50.58 -41.18 20.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 CA-C-N 120.744 1.611 . . . . 0.0 115.193 171.904 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.27 -56.51 19.67 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 113.813 1.042 . . . . 0.0 113.813 173.924 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.27 -48.15 65.44 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 124.84 1.256 . . . . 0.0 110.743 171.866 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.531 ' CE2' HD13 ' A' ' 41' ' ' ILE . 3.9 t80 -54.48 -59.54 4.56 Favored 'General case' 0 C--N 1.351 0.668 0 C-N-CA 125.223 1.409 . . . . 0.0 112.042 175.776 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 20.7 mmmt -59.98 -39.92 87.38 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 114.165 1.172 . . . . 0.0 114.165 -178.664 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -68.04 -48.95 64.23 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 119.44 1.018 . . . . 0.0 113.054 177.546 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 2.4 m -60.26 -35.76 76.26 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 113.882 1.067 . . . . 0.0 113.882 169.429 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 5.1 t -66.03 -37.22 85.33 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 119.845 1.202 . . . . 0.0 113.356 173.692 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -61.12 -41.33 96.51 Favored 'General case' 0 CA--C 1.541 0.596 0 CA-C-N 120.035 1.288 . . . . 0.0 113.038 165.967 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 21.7 mm -61.22 -42.91 95.24 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.182 0 CA-C-N 120.529 1.513 . . . . 0.0 113.275 170.274 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.31 -48.75 76.07 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 123.929 0.892 . . . . 0.0 113.402 172.515 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 48.4 m-80 -66.79 -33.86 76.56 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 114.187 1.18 . . . . 0.0 114.187 172.684 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -62.21 -51.7 66.74 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 119.07 0.85 . . . . 0.0 112.371 170.778 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 4.5 p -67.78 -30.9 50.03 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.925 0 CA-C-N 119.767 1.167 . . . . 0.0 113.227 177.377 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 -58.08 -37.63 74.86 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.48 1.112 . . . . 0.0 112.84 170.144 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.14 -47.45 28.47 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 113.283 0.846 . . . . 0.0 113.283 169.985 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -64.79 -37.76 88.7 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 114.836 1.421 . . . . 0.0 114.836 179.257 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 66.87 -112.62 0.18 Allowed 'General case' 0 CA--C 1.553 1.061 0 C-N-CA 125.379 1.472 . . . . 0.0 114.958 174.737 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . . . . . . . . 1 C--N 1.233 -4.464 0 CA-C-N 121.15 1.795 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.428 ' H1 ' ' N ' ' A' ' 66' ' ' SER . 39.8 tpp . . . . . 0 CA--C 1.556 1.178 0 CA-C-O 122.481 1.134 . . . . 0.0 113.127 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 89.7 mt -77.5 74.99 4.06 Favored 'General case' 0 CA--C 1.553 1.075 0 CA-C-O 123.928 1.823 . . . . 0.0 114.319 -177.723 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -55.22 -42.32 73.2 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 112.764 -2.016 . . . . 0.0 113.848 176.953 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -62.66 -32.24 73.25 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 114.206 1.188 . . . . 0.0 114.206 175.737 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 24.2 mmtt -75.83 -38.88 57.66 Favored 'General case' 0 C--O 1.244 0.814 0 N-CA-C 114.311 1.226 . . . . 0.0 114.311 174.544 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 13.0 mt -55.59 -52.37 48.16 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 165.981 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.463 ' O ' ' HB2' ' A' ' 11' ' ' ALA . 33.4 tt0 -61.57 -23.33 65.91 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-O 117.389 -1.291 . . . . 0.0 113.909 177.52 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -73.66 -43.35 59.68 Favored 'General case' 0 CA--C 1.548 0.885 0 CA-C-N 123.839 3.018 . . . . 0.0 113.845 170.85 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -83.26 -49.14 9.72 Favored 'General case' 0 N--CA 1.483 1.178 0 O-C-N 120.223 -1.548 . . . . 0.0 112.997 176.07 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.85 11.71 0.35 Allowed 'General case' 0 CA--C 1.556 1.178 0 N-CA-C 116.63 2.085 . . . . 0.0 116.63 161.667 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.463 ' HB2' ' O ' ' A' ' 7' ' ' GLU . . . -66.54 -39.3 88.49 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 118.111 -2.868 . . . . 0.0 112.577 148.536 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 48.1 mttp -79.32 57.72 2.4 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-O 122.586 1.184 . . . . 0.0 111.356 -170.019 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -68.89 -13.21 62.29 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 114.522 1.305 . . . . 0.0 114.522 176.868 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.6 mtpp -63.7 -39.64 94.81 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.951 0.9 . . . . 0.0 112.099 159.955 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -97.94 70.59 2.14 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-O 125.169 2.414 . . . . 0.0 110.109 178.259 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.95 -38.88 70.93 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 108.948 -3.751 . . . . 0.0 114.372 -174.118 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 64.4 mmm -65.34 -33.71 76.61 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.967 0.907 . . . . 0.0 112.877 175.02 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 58.6 mt -87.95 -44.9 10.68 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.248 0.619 . . . . 0.0 111.331 -172.813 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.75 -33.54 68.59 Favored 'General case' 0 CA--C 1.554 1.124 0 O-C-N 120.574 -1.329 . . . . 0.0 114.489 159.472 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . 0.25 0.1 OUTLIER -68.89 -27.68 66.01 Favored 'General case' 0 CA--C 1.549 0.905 0 CA-C-N 124.09 3.132 . . . . 0.0 111.614 170.535 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 87.5 m -60.76 -37.13 80.78 Favored 'General case' 0 CA--C 1.548 0.88 0 CA-C-N 121.308 1.867 . . . . 0.0 113.818 162.534 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -50.31 -49.17 54.53 Favored 'General case' 0 N--CA 1.482 1.158 0 CA-C-N 119.616 1.098 . . . . 0.0 112.089 160.782 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.402 ' O ' ' HD2' ' A' ' 27' ' ' TYR . 3.8 m-30 -74.18 -29.48 61.78 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 -176.883 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -58.27 -44.68 88.53 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 119.036 0.834 . . . . 0.0 112.524 161.238 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.54 -52.24 51.5 Favored Glycine 0 CA--C 1.531 1.065 0 C-N-CA 123.759 0.695 . . . . 0.0 114.218 171.742 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.4 -43.88 88.75 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 177.24 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.402 ' HD2' ' O ' ' A' ' 23' ' ' TYR . 72.0 m-85 -75.48 68.64 2.16 Favored 'General case' 0 CA--C 1.552 1.023 0 CA-C-N 120.177 1.353 . . . . 0.0 113.727 174.108 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -79.71 147.23 32.02 Favored 'General case' 0 CA--C 1.548 0.894 0 CA-C-N 115.097 -0.956 . . . . 0.0 113.578 174.782 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -132.25 -120.93 0.2 Allowed 'General case' 0 CA--C 1.555 1.154 0 O-C-N 120.97 -1.081 . . . . 0.0 111.748 -178.426 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -72.64 -2.25 19.35 Favored 'General case' 0 CA--C 1.549 0.916 0 O-C-N 119.217 -2.177 . . . . 0.0 116.383 -179.607 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -74.45 106.6 6.13 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-O 122.925 1.345 . . . . 0.0 113.297 -176.112 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -61.1 -36.37 79.51 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 114.216 -1.356 . . . . 0.0 113.622 174.093 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 46.8 p -118.22 138.42 52.35 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-O 121.959 0.885 . . . . 0.0 111.376 166.804 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 94.9 m -61.93 -35.83 79.59 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.423 1.089 . . . . 0.0 113.349 173.18 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.2 mp0 -67.26 -31.07 71.15 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 125.27 1.428 . . . . 0.0 114.334 -172.471 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -70.25 -44.87 67.6 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 121.795 2.088 . . . . 0.0 112.29 173.872 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.579 ' O ' HD12 ' A' ' 41' ' ' ILE . 36.3 ttp85 -58.19 -53.11 62.03 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 114.306 -1.315 . . . . 0.0 110.329 171.037 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -81.64 -1.93 48.43 Favored 'General case' 0 CA--C 1.55 0.96 0 N-CA-C 117.555 2.428 . . . . 0.0 117.555 176.647 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.22 -33.88 73.99 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 119.315 -2.116 . . . . 0.0 112.4 152.929 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 81.9 mtm180 -73.32 -36.27 66.19 Favored 'General case' 0 CA--C 1.552 1.026 0 N-CA-C 114.874 1.435 . . . . 0.0 114.874 166.667 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.59 HD13 ' CE2' ' A' ' 51' ' ' PHE 0.273 3.5 mp -76.02 86.28 0.73 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.867 0 CA-C-O 126.746 3.165 . . . . 0.0 113.503 167.881 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 61.0 mttm -91.17 4.73 51.49 Favored 'General case' 0 CA--C 1.547 0.833 1 CA-C-N 107.937 -4.21 . . . . 0.0 116.107 -174.82 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 79.9 mt -61.82 -40.73 88.04 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.884 0 N-CA-C 114.746 1.387 . . . . 0.0 114.746 -164.875 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -175.7 162.19 31.31 Favored Glycine 0 CA--C 1.545 1.928 0 CA-C-O 117.773 -1.571 . . . . 0.0 115.709 175.312 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_exo -52.38 -51.07 11.95 Favored 'Trans proline' 0 C--N 1.361 1.221 0 C-N-CA 125.266 3.978 . . . . 0.0 116.127 177.912 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 23.0 mmtt -68.26 -23.46 64.78 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 113.869 1.062 . . . . 0.0 113.869 173.5 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 39.5 t -67.29 -58.25 5.17 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-O 117.324 -1.322 . . . . 0.0 110.588 170.713 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -50.95 -40.01 19.95 Favored 'Isoleucine or valine' 0 C--N 1.351 0.663 0 CA-C-N 120.194 1.361 . . . . 0.0 114.447 169.968 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.27 -52.23 64.56 Favored 'General case' 0 CA--C 1.555 1.143 0 N-CA-C 115.564 1.69 . . . . 0.0 115.564 173.302 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.85 -45.37 78.45 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.704 1.202 . . . . 0.0 111.508 170.117 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.59 ' CE2' HD13 ' A' ' 41' ' ' ILE . 2.7 t80 -55.37 -58.03 9.41 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.604 1.162 . . . . 0.0 111.992 174.513 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 43.3 tptt -59.53 -41.18 89.43 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.402 1.081 . . . . 0.0 113.127 -178.325 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.446 ' O ' HD12 ' A' ' 57' ' ' ILE . 94.5 m-20 -66.17 -54.73 21.81 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.691 0.997 . . . . 0.0 113.691 174.465 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 12.3 m -60.31 -28.03 67.79 Favored 'General case' 0 CA--C 1.549 0.907 0 N-CA-C 114.917 1.451 . . . . 0.0 114.917 171.723 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.8 t -71.31 -34.44 70.61 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 120.831 1.65 . . . . 0.0 112.868 170.279 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -58.28 -41.14 83.7 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 120.292 1.406 . . . . 0.0 112.944 162.979 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.446 HD12 ' O ' ' A' ' 53' ' ' ASP . 2.8 mp -61.58 -47.65 92.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 CA-C-N 120.119 1.327 . . . . 0.0 113.379 167.815 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.0 -39.1 68.7 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 172.748 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -64.79 -41.25 95.98 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 169.903 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.443 ' HB3' ' N ' ' A' ' 66' ' ' SER . 38.9 mt-30 -64.56 -34.05 77.34 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 113.942 1.09 . . . . 0.0 113.942 170.967 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 86.8 t -64.95 -49.89 77.57 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.759 0 CA-C-N 119.182 0.901 . . . . 0.0 111.74 166.127 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -59.88 -38.55 82.51 Favored 'General case' 0 CA--C 1.548 0.898 0 CA-C-N 119.471 1.032 . . . . 0.0 113.737 176.334 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -89.89 13.81 13.66 Favored 'General case' 0 CA--C 1.555 1.151 0 N-CA-C 114.921 1.452 . . . . 0.0 114.921 169.843 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 48.67 55.68 8.73 Favored 'General case' 0 CA--C 1.554 1.115 0 C-N-CA 128.129 2.572 . . . . 0.0 116.205 173.273 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -148.43 -34.41 0.22 Allowed 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 116.151 1.908 . . . . 0.0 116.151 -176.927 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.443 ' N ' ' HB3' ' A' ' 60' ' ' GLN . . . . . . . . 1 C--N 1.234 -4.43 0 CA-C-N 121.248 1.84 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.2 tpt . . . . . 0 CA--C 1.546 0.809 0 N-CA-C 112.624 0.602 . . . . 0.0 112.624 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.508 ' O ' HD12 ' A' ' 6' ' ' ILE . 10.2 mp -58.16 -43.79 87.59 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.246 1.418 . . . . 0.0 112.228 173.73 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 22.9 mp0 -59.18 -43.22 92.18 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.982 1.713 . . . . 0.0 112.424 -179.886 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.1 tptp -65.8 -32.57 74.18 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.183 0.993 . . . . 0.0 112.129 176.961 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 49.5 tttm -71.25 -44.26 65.64 Favored 'General case' 0 CA--C 1.549 0.937 0 CA-C-O 117.947 -1.025 . . . . 0.0 113.372 176.214 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.508 HD12 ' O ' ' A' ' 2' ' ' LEU . 4.0 mp -57.49 -45.42 85.85 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.346 0 CA-C-N 120.598 1.545 . . . . 0.0 109.749 165.985 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -58.72 -54.5 46.39 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 115.99 -1.957 . . . . 0.0 112.179 175.483 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -64.07 -21.93 66.72 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 125.772 3.896 . . . . 0.0 114.738 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -79.23 -69.05 0.6 Allowed 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 119.982 1.264 . . . . 0.0 112.514 163.71 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.84 3.61 7.84 Favored 'General case' 0 CA--C 1.556 1.209 0 N-CA-C 119.396 3.109 . . . . 0.0 119.396 179.594 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.99 -50.93 8.56 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 117.444 -3.285 . . . . 0.0 111.859 156.698 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -83.07 68.02 9.36 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-O 123.294 1.521 . . . . 0.0 111.184 -174.326 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.7 m-30 -54.29 -3.9 0.05 OUTLIER 'General case' 0 CA--C 1.551 1.005 0 N-CA-C 117.03 2.234 . . . . 0.0 117.03 177.534 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -59.05 -31.88 69.25 Favored 'General case' 0 CA--C 1.546 0.79 0 O-C-N 120.821 -1.174 . . . . 0.0 112.288 157.086 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -80.04 58.09 2.85 Favored 'General case' 0 CA--C 1.549 0.933 0 CA-C-O 122.549 1.166 . . . . 0.0 111.312 172.046 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.51 -54.71 43.71 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 115.995 1.85 . . . . 0.0 115.995 -165.955 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 70.7 mmm -67.68 -27.04 66.51 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.769 0.828 . . . . 0.0 113.107 176.01 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 39.3 mt -81.96 -44.98 16.01 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.028 0.931 . . . . 0.0 111.335 -175.242 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -63.19 -31.15 72.22 Favored 'General case' 0 CA--C 1.545 0.784 0 O-C-N 121.428 -0.795 . . . . 0.0 112.087 164.266 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.2 tmtm? -63.71 -38.09 89.81 Favored 'General case' 0 CA--C 1.551 1.006 0 CA-C-N 121.208 1.822 . . . . 0.0 111.443 168.371 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 27.6 m -58.03 -39.56 78.7 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 122.267 2.303 . . . . 0.0 114.786 165.575 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -49.67 -51.96 34.46 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 119.214 0.916 . . . . 0.0 111.572 163.99 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.401 ' O ' ' HD2' ' A' ' 27' ' ' TYR 0.262 6.4 m-30 -74.78 -24.63 58.7 Favored 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 113.814 1.042 . . . . 0.0 113.814 -175.794 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -61.35 -37.33 82.95 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 113.564 0.95 . . . . 0.0 113.564 160.607 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.96 -42.07 69.96 Favored Glycine 0 CA--C 1.532 1.154 0 CA-C-O 119.357 -0.691 . . . . 0.0 114.718 170.312 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.96 -38.79 92.13 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 114.061 1.134 . . . . 0.0 114.061 175.305 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.401 ' HD2' ' O ' ' A' ' 23' ' ' TYR . 52.0 m-85 -72.96 67.95 0.88 Allowed 'General case' 0 CA--C 1.552 1.033 0 CA-C-O 123.383 1.563 . . . . 0.0 113.691 171.782 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 33.0 ttt-85 -146.46 133.41 20.22 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 114.007 -1.451 . . . . 0.0 112.188 174.966 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -140.06 -56.29 0.55 Allowed 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.07 168.439 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -64.72 -53.38 48.07 Favored 'General case' 0 CA--C 1.547 0.862 0 N-CA-C 116.802 2.149 . . . . 0.0 116.802 -175.248 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -79.47 126.3 30.68 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-O 122.359 1.076 . . . . 0.0 113.478 -172.479 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -58.51 -55.5 34.22 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 115.257 1.577 . . . . 0.0 115.257 -169.728 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 33.0 m -105.53 113.78 27.56 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 121.44 -0.787 . . . . 0.0 112.371 -168.85 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 91.5 m -57.63 -38.88 75.76 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 176.806 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 40.7 mp0 -67.21 -14.84 63.29 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 114.185 1.18 . . . . 0.0 114.185 -178.234 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -75.31 -59.32 2.8 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 121.29 1.859 . . . . 0.0 110.006 172.108 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.628 ' O ' HD12 ' A' ' 41' ' ' ILE . 2.9 ptp180 -59.34 -40.3 85.91 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-O 118.003 -0.998 . . . . 0.0 111.944 172.151 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -87.3 6.19 34.65 Favored 'General case' 0 CA--C 1.551 0.994 0 CA-C-N 122.154 2.252 . . . . 0.0 116.889 172.205 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.78 -31.73 63.44 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 119.083 -2.261 . . . . 0.0 112.084 146.4 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 87.2 mtt-85 -72.59 -44.62 61.79 Favored 'General case' 0 CA--C 1.553 1.073 0 N-CA-C 113.247 0.832 . . . . 0.0 113.247 168.643 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.628 HD12 ' O ' ' A' ' 37' ' ' ARG . 3.2 mp -69.62 86.78 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.926 0 CA-C-O 126.734 3.159 . . . . 0.0 113.504 167.613 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 58.0 mttp -97.0 9.98 40.52 Favored 'General case' 0 CA--C 1.547 0.833 1 CA-C-N 107.876 -4.238 . . . . 0.0 115.836 -178.661 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 76.6 mt -62.94 -37.87 80.43 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.962 0 CA-C-N 119.901 1.228 . . . . 0.0 114.156 -166.612 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -177.49 163.59 32.21 Favored Glycine 0 CA--C 1.545 1.968 0 CA-C-O 118.01 -1.439 . . . . 0.0 115.362 172.538 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_exo -53.53 -47.0 29.7 Favored 'Trans proline' 0 C--N 1.359 1.128 0 C-N-CA 124.97 3.78 . . . . 0.0 115.694 174.569 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 42.5 tttm -68.21 -30.03 69.01 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 124.195 0.998 . . . . 0.0 112.374 177.626 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.44 -55.29 18.79 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.487 1.115 . . . . 0.0 111.06 171.622 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . 0.293 0.0 OUTLIER -54.2 -36.11 31.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 N-CA-C 115.612 1.708 . . . . 0.0 115.612 169.263 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -60.86 -51.47 69.17 Favored 'General case' 0 CA--C 1.551 1.015 0 CA-C-N 120.755 1.616 . . . . 0.0 115.216 170.8 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.42 -50.51 62.4 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 124.36 1.064 . . . . 0.0 111.168 168.44 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.553 ' CE2' HD13 ' A' ' 41' ' ' ILE . 2.7 t80 -54.13 -53.53 51.99 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.924 1.29 . . . . 0.0 112.409 176.225 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 53.0 tptt -62.79 -40.9 98.75 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 113.603 0.964 . . . . 0.0 113.603 -178.078 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -73.28 -37.68 66.17 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 120.497 1.498 . . . . 0.0 114.925 175.463 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 9.0 m -63.45 -30.88 71.93 Favored 'General case' 0 CA--C 1.553 1.085 0 N-CA-C 114.344 1.239 . . . . 0.0 114.344 164.564 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 16.4 t -57.9 -42.94 85.73 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 120.894 1.679 . . . . 0.0 113.194 164.022 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -56.66 -44.42 81.33 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 119.712 1.142 . . . . 0.0 112.94 168.024 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 24.0 mm -60.35 -45.39 96.57 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 N-CA-C 113.968 1.099 . . . . 0.0 113.968 170.85 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.78 -45.62 82.01 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 113.664 0.986 . . . . 0.0 113.664 174.497 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 71.3 m-80 -65.85 -38.92 90.12 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 113.656 0.984 . . . . 0.0 113.656 171.612 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -60.19 -48.59 81.07 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-O 118.369 -0.824 . . . . 0.0 112.921 173.167 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 33.2 m -70.36 -28.47 35.4 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.777 0 CA-C-N 120.6 1.545 . . . . 0.0 114.282 175.112 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 57.4 ttt180 -65.57 -42.1 92.17 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 120.318 1.417 . . . . 0.0 113.079 166.142 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.08 -46.34 65.1 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 119.635 1.107 . . . . 0.0 113.796 171.819 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 64.09 -54.3 0.25 Allowed 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 126.823 2.049 . . . . 0.0 115.145 175.208 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.703 HE21 ' N ' ' A' ' 66' ' ' SER . 0.0 OUTLIER -98.75 -41.35 7.71 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 114.169 1.174 . . . . 0.0 114.169 179.888 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.703 ' N ' HE21 ' A' ' 65' ' ' GLN . . . . . . . . 1 C--N 1.237 -4.324 0 CA-C-N 120.116 1.325 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.4 mmm . . . . . 0 CA--C 1.544 0.72 0 N-CA-C 112.98 0.733 . . . . 0.0 112.98 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 87.1 mt -125.46 129.47 49.87 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-O 123.023 1.392 . . . . 0.0 114.386 -170.503 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 51.5 tp60 -55.22 -40.8 71.23 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 113.436 -1.711 . . . . 0.0 112.268 170.973 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 60.7 tttm -54.27 -41.15 68.49 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.916 1.286 . . . . 0.0 112.799 170.005 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.1 -36.43 77.53 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 114.652 1.353 . . . . 0.0 114.652 175.721 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 5.3 mp -59.27 -51.36 73.49 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.181 0 CA-C-N 120.322 1.419 . . . . 0.0 109.938 166.05 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -60.95 -31.54 71.1 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-O 116.693 -1.623 . . . . 0.0 114.588 175.013 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 86.1 mt-10 -69.62 -36.51 76.21 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 123.533 2.879 . . . . 0.0 115.164 170.947 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -87.15 -46.27 9.91 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 120.544 1.52 . . . . 0.0 112.625 177.118 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.83 4.88 3.64 Favored 'General case' 0 CA--C 1.555 1.143 0 N-CA-C 116.254 1.946 . . . . 0.0 116.254 164.316 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.29 -40.2 71.02 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 118.315 -2.74 . . . . 0.0 112.539 149.457 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 48.8 mttp -77.6 62.9 2.61 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-O 122.835 1.302 . . . . 0.0 111.652 -174.052 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -66.5 -14.33 62.13 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 113.763 1.023 . . . . 0.0 113.763 170.928 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.0 tptp -64.38 -35.87 82.3 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 124.351 1.06 . . . . 0.0 112.902 160.214 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -98.19 68.78 1.96 Allowed 'General case' 0 CA--C 1.544 0.727 0 CA-C-O 125.254 2.455 . . . . 0.0 110.089 174.105 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.3 -40.7 74.75 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 108.916 -3.766 . . . . 0.0 114.289 -170.968 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 32.4 ttm -66.78 -32.47 73.78 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.217 1.007 . . . . 0.0 112.745 176.153 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 74.4 mt -86.86 -40.39 14.94 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 121.069 -1.019 . . . . 0.0 112.427 -174.45 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.68 -29.67 70.87 Favored 'General case' 0 CA--C 1.551 1.014 0 O-C-N 120.79 -1.194 . . . . 0.0 113.108 160.492 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.0 tmtm? -66.52 -34.19 77.37 Favored 'General case' 0 CA--C 1.549 0.937 0 CA-C-N 122.055 2.207 . . . . 0.0 111.508 167.538 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 98.5 m -53.94 -43.12 69.55 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 122.175 2.261 . . . . 0.0 113.774 163.44 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -49.25 -55.94 10.98 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 122.795 0.438 . . . . 0.0 111.337 163.648 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.414 ' O ' ' HD2' ' A' ' 27' ' ' TYR 0.265 5.3 m-30 -72.8 -22.29 60.85 Favored 'General case' 0 CA--C 1.552 1.035 0 N-CA-C 114.237 1.199 . . . . 0.0 114.237 -173.838 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -58.85 -48.64 80.65 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.145 0.978 . . . . 0.0 112.286 159.679 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.83 -42.32 96.52 Favored Glycine 0 CA--C 1.532 1.145 0 CA-C-O 119.428 -0.651 . . . . 0.0 114.655 172.354 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.81 -46.36 85.47 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 114.212 1.19 . . . . 0.0 114.212 175.237 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.414 ' HD2' ' O ' ' A' ' 23' ' ' TYR . 59.8 m-85 -73.95 66.65 1.19 Allowed 'General case' 0 CA--C 1.552 1.055 0 CA-C-N 120.511 1.505 . . . . 0.0 114.978 178.246 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -74.36 134.45 42.48 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-O 122.341 1.067 . . . . 0.0 113.578 170.717 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -157.02 -59.33 0.09 Allowed 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 114.853 -1.067 . . . . 0.0 113.808 -166.317 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -74.04 -45.28 50.57 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 116.577 2.066 . . . . 0.0 116.577 -173.224 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -143.86 -177.42 5.42 Favored 'General case' 0 CA--C 1.55 0.977 0 CA-C-N 120.381 1.446 . . . . 0.0 112.129 -178.948 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -78.89 -43.15 25.55 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 116.132 1.901 . . . . 0.0 116.132 170.709 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 41.2 p -85.0 113.87 21.75 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 121.012 -1.055 . . . . 0.0 113.769 -167.743 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 81.1 m -64.19 -37.97 89.38 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 178.823 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.75 -5.17 39.05 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 114.47 1.285 . . . . 0.0 114.47 178.453 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -70.97 -59.84 2.56 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 121.202 1.819 . . . . 0.0 110.428 163.369 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.574 ' O ' HD12 ' A' ' 41' ' ' ILE . 33.1 mtm180 -54.83 -50.7 67.96 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 115.0 -1.0 . . . . 0.0 112.255 170.034 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . 0.283 . . -89.08 15.31 8.91 Favored 'General case' 0 CA--C 1.55 0.964 0 N-CA-C 116.079 1.881 . . . . 0.0 116.079 177.491 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.15 -43.12 62.02 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 119.586 -1.946 . . . . 0.0 112.021 140.069 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.8 mpp_? -70.42 -42.62 71.36 Favored 'General case' 0 CA--C 1.553 1.062 0 N-CA-C 114.545 1.313 . . . . 0.0 114.545 172.25 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.574 HD12 ' O ' ' A' ' 37' ' ' ARG . 3.3 mp -68.95 88.36 0.18 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.969 0 CA-C-O 126.875 3.226 . . . . 0.0 112.684 166.55 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 29.9 mmtm -95.61 7.29 46.7 Favored 'General case' 0 CA--C 1.544 0.745 1 CA-C-N 107.137 -4.574 . . . . 0.0 116.491 -176.158 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 73.6 mt -63.8 -39.28 84.81 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.906 0 N-CA-C 114.3 1.222 . . . . 0.0 114.3 -166.181 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 177.44 168.5 37.27 Favored Glycine 0 CA--C 1.545 1.965 0 CA-C-N 120.224 1.375 . . . . 0.0 116.465 173.058 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_exo -52.83 -46.8 31.12 Favored 'Trans proline' 0 C--N 1.361 1.191 0 C-N-CA 125.223 3.949 . . . . 0.0 115.964 174.928 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -66.01 -30.93 71.56 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.846 0.859 . . . . 0.0 112.242 175.701 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 43.3 t -65.93 -57.92 6.73 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-O 117.386 -1.292 . . . . 0.0 111.677 172.416 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -52.23 -38.13 24.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 CA-C-N 120.884 1.674 . . . . 0.0 115.106 170.967 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.15 -53.47 56.62 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 115.313 1.598 . . . . 0.0 115.313 170.892 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.21 -48.36 68.19 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 124.254 1.021 . . . . 0.0 111.017 169.929 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.536 ' CE2' HD13 ' A' ' 41' ' ' ILE . 3.0 t80 -55.21 -57.4 11.94 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.218 1.407 . . . . 0.0 112.3 176.49 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.433 ' O ' ' HD1' ' A' ' 56' ' ' TYR . 41.7 mttm -65.62 -34.7 78.84 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 115.489 1.662 . . . . 0.0 115.489 -179.551 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -69.93 -44.14 70.23 Favored 'General case' 0 CA--C 1.55 0.943 0 CA-C-N 121.486 1.948 . . . . 0.0 113.36 173.593 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 5.6 m -63.35 -31.63 72.84 Favored 'General case' 0 CA--C 1.552 1.026 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 167.453 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 51.9 t -57.03 -42.41 80.36 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 120.506 1.503 . . . . 0.0 112.683 164.374 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.433 ' HD1' ' O ' ' A' ' 52' ' ' LYS . 24.9 m-85 -59.15 -41.38 88.2 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 120.249 1.386 . . . . 0.0 113.777 169.534 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 27.2 mm -58.91 -48.74 85.45 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.256 0 CA-C-N 119.902 1.228 . . . . 0.0 113.804 167.959 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.1 -40.9 77.9 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 113.439 0.903 . . . . 0.0 113.439 173.622 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -61.92 -37.51 84.96 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.448 1.099 . . . . 0.0 113.408 172.707 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -64.64 -45.83 85.14 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 118.859 0.754 . . . . 0.0 112.665 168.533 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 90.4 t -64.26 -45.02 97.38 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.834 0 N-CA-C 113.805 1.039 . . . . 0.0 113.805 177.294 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 36.8 ptt180 -68.17 -20.5 64.88 Favored 'General case' 0 CA--C 1.548 0.895 0 CA-C-N 121.286 1.857 . . . . 0.0 114.374 175.245 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -85.16 -56.72 3.4 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 119.284 0.947 . . . . 0.0 112.674 166.794 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -91.67 65.67 5.13 Favored 'General case' 0 CA--C 1.547 0.836 0 O-C-N 120.409 -1.432 . . . . 0.0 111.548 -179.305 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.642 HE21 ' N ' ' A' ' 66' ' ' SER . 0.0 OUTLIER -84.77 -36.44 21.72 Favored 'General case' 0 CA--C 1.55 0.955 0 N-CA-C 113.931 1.086 . . . . 0.0 113.931 177.479 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.642 ' N ' HE21 ' A' ' 65' ' ' GLN . . . . . . . . 1 C--N 1.237 -4.301 0 CA-C-N 119.927 1.24 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.7 mtm . . . . . 0 CA--C 1.545 0.752 0 N-CA-C 112.474 0.546 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 79.0 mt -126.95 135.29 50.69 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-O 123.766 1.746 . . . . 0.0 114.379 -174.546 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -59.85 -48.6 81.02 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 112.424 -2.171 . . . . 0.0 113.839 178.445 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -59.94 -31.54 69.95 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.223 1.009 . . . . 0.0 113.664 175.545 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 32.7 mmtm -76.05 -33.33 59.59 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 114.071 1.137 . . . . 0.0 114.071 176.743 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.2 mt -57.63 -53.03 49.92 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.367 0 CA-C-N 120.498 1.499 . . . . 0.0 109.325 163.039 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -58.87 -38.32 78.53 Favored 'General case' 0 C--N 1.347 0.492 0 CA-C-O 117.633 -1.175 . . . . 0.0 112.507 -179.179 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -60.71 -57.79 11.22 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 120.863 1.665 . . . . 0.0 115.343 168.1 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -71.77 -42.38 67.24 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 120.974 1.716 . . . . 0.0 113.912 -175.851 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.88 -4.97 31.2 Favored 'General case' 0 CA--C 1.555 1.16 0 N-CA-C 116.517 2.043 . . . . 0.0 116.517 162.443 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -80.09 -42.09 24.31 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 124.729 3.422 . . . . 0.0 113.073 152.798 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 52.1 mttp -69.51 59.04 0.13 Allowed 'General case' 0 CA--C 1.552 1.037 0 CA-C-O 122.827 1.299 . . . . 0.0 113.233 178.175 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -60.05 -12.88 9.21 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 126.192 1.797 . . . . 0.0 115.354 176.131 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -60.98 -36.89 80.62 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.242 1.017 . . . . 0.0 112.209 162.566 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 58.9 m-85 -92.75 67.16 4.47 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-O 124.395 2.045 . . . . 0.0 110.209 173.661 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.91 -43.18 81.14 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 110.819 -2.9 . . . . 0.0 114.213 -173.098 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 61.9 mtp -65.96 -29.91 70.38 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.132 0.973 . . . . 0.0 113.397 175.438 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 63.9 mt -87.09 -38.84 16.12 Favored 'General case' 0 CA--C 1.537 0.475 0 O-C-N 121.399 -0.813 . . . . 0.0 112.255 -175.269 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.81 -32.51 74.08 Favored 'General case' 0 CA--C 1.55 0.947 0 O-C-N 120.981 -1.074 . . . . 0.0 112.975 161.354 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.1 tptp -67.24 -28.76 68.32 Favored 'General case' 0 CA--C 1.553 1.084 0 CA-C-N 122.081 2.219 . . . . 0.0 112.345 168.827 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.2 t -63.26 -40.9 98.72 Favored 'General case' 0 CA--C 1.551 1.006 0 CA-C-N 119.983 1.265 . . . . 0.0 113.273 165.074 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.6 t -47.41 -56.95 5.91 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 118.812 0.733 . . . . 0.0 110.957 160.187 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.419 ' O ' ' HD2' ' A' ' 27' ' ' TYR 0.282 6.7 m-30 -72.1 -21.43 61.49 Favored 'General case' 0 CA--C 1.553 1.08 0 N-CA-C 114.213 1.19 . . . . 0.0 114.213 -173.972 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.2 t0 -61.74 -40.71 96.07 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.746 1.218 . . . . 0.0 112.586 161.21 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.5 -40.59 91.05 Favored Glycine 0 CA--C 1.537 1.412 0 CA-C-O 119.001 -0.888 . . . . 0.0 114.948 167.37 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.36 -42.32 96.27 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 114.914 1.45 . . . . 0.0 114.914 178.602 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.419 ' HD2' ' O ' ' A' ' 23' ' ' TYR . 59.7 m-85 -72.73 55.53 0.38 Allowed 'General case' 0 CA--C 1.555 1.137 0 CA-C-N 120.826 1.648 . . . . 0.0 114.869 176.891 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 20.4 mmm180 -143.09 166.64 24.11 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.777 1.231 . . . . 0.0 114.206 -179.118 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 26.6 t30 -147.8 -78.98 0.15 Allowed 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.635 177.92 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -73.19 66.19 0.86 Allowed 'General case' 0 CA--C 1.547 0.857 0 CA-C-O 123.275 1.512 . . . . 0.0 114.677 -173.658 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -89.14 119.66 29.84 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 114.459 -1.246 . . . . 0.0 112.001 174.804 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -66.32 -51.81 53.51 Favored 'General case' 0 CA--C 1.547 0.837 0 O-C-N 120.822 -1.174 . . . . 0.0 110.711 165.744 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 24.9 m -150.81 132.97 15.34 Favored 'General case' 0 CA--C 1.545 0.787 0 O-C-N 120.657 -1.277 . . . . 0.0 110.734 159.312 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 90.4 m -53.16 -34.17 55.73 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 115.042 1.497 . . . . 0.0 115.042 -175.615 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -66.4 -9.57 35.05 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 125.244 1.418 . . . . 0.0 113.727 177.043 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -72.05 -58.92 3.03 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 123.184 2.72 . . . . 0.0 110.686 168.7 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.577 ' O ' HD12 ' A' ' 41' ' ' ILE . 26.8 ttt180 -61.57 -44.02 97.8 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 112.742 -2.027 . . . . 0.0 110.143 176.057 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -92.33 19.34 7.19 Favored 'General case' 0 CA--C 1.553 1.094 0 N-CA-C 115.856 1.798 . . . . 0.0 115.856 172.127 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -75.78 -38.24 58.46 Favored 'General case' 0 N--CA 1.468 0.446 0 O-C-N 118.742 -2.474 . . . . 0.0 111.681 140.701 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -66.8 -49.05 67.09 Favored 'General case' 0 CA--C 1.551 1.003 0 N-CA-C 113.207 0.818 . . . . 0.0 113.207 169.621 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.577 HD12 ' O ' ' A' ' 37' ' ' ARG . 3.4 mp -77.29 82.13 0.79 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.806 0 CA-C-O 126.252 2.93 . . . . 0.0 113.047 169.846 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.0 tptt -118.76 40.28 3.3 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-N 108.413 -3.994 . . . . 0.0 112.523 177.635 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 73.5 mt -71.55 -40.14 71.16 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.807 0 C-N-CA 123.531 0.732 . . . . 0.0 111.993 -179.349 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -161.95 155.49 26.77 Favored Glycine 0 CA--C 1.545 1.954 0 CA-C-O 117.483 -1.731 . . . . 0.0 114.468 176.01 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_exo -52.21 -48.02 23.87 Favored 'Trans proline' 0 C--N 1.36 1.165 0 C-N-CA 124.985 3.79 . . . . 0.0 115.609 175.677 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -62.58 -32.97 74.05 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 113.453 0.909 . . . . 0.0 113.453 173.237 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 10.7 t -65.68 -60.31 3.03 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-O 117.385 -1.293 . . . . 0.0 109.457 175.337 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -50.9 -42.86 24.21 Favored 'Isoleucine or valine' 0 C--N 1.352 0.685 0 CA-C-N 120.488 1.495 . . . . 0.0 114.932 173.718 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.5 ttpp -61.5 -55.48 30.57 Favored 'General case' 0 CA--C 1.55 0.96 0 CA-C-O 117.825 -1.083 . . . . 0.0 113.335 174.748 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -50.43 -48.98 56.09 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-N 120.123 1.329 . . . . 0.0 111.079 170.832 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.539 ' CE2' HD13 ' A' ' 41' ' ' ILE . 7.2 t80 -53.73 -58.26 7.87 Favored 'General case' 0 C--N 1.349 0.554 0 C-N-CA 125.188 1.395 . . . . 0.0 112.257 176.251 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -66.11 -28.82 69.1 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 114.424 1.268 . . . . 0.0 114.424 -179.274 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -63.57 -53.34 53.21 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 120.28 1.4 . . . . 0.0 113.18 169.807 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 15.2 m -64.33 -35.15 79.93 Favored 'General case' 0 CA--C 1.553 1.094 0 N-CA-C 115.276 1.584 . . . . 0.0 115.276 171.467 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 8.3 t -65.51 -36.87 85.13 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 121.092 1.769 . . . . 0.0 112.767 172.653 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.415 ' O ' ' HG2' ' A' ' 60' ' ' GLN . 8.9 t80 -55.87 -48.43 75.57 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-O 117.875 -1.06 . . . . 0.0 112.228 164.175 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 26.8 mm -57.98 -47.42 86.64 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.167 0 CA-C-N 120.527 1.512 . . . . 0.0 114.881 170.428 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.48 -45.49 69.64 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 174.005 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 13.9 m-80 -72.15 -26.03 61.93 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 115.155 1.539 . . . . 0.0 115.155 172.792 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.415 ' HG2' ' O ' ' A' ' 56' ' ' TYR . 14.4 mm-40 -68.46 -40.84 80.9 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 121.302 1.865 . . . . 0.0 112.896 164.743 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 98.5 t -62.29 -39.07 82.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 CA-C-N 119.731 1.15 . . . . 0.0 112.851 172.705 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -54.96 -41.5 71.21 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 124.76 1.224 . . . . 0.0 114.06 168.935 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -77.68 -48.63 16.3 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 172.552 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 63.15 -57.3 0.17 Allowed 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 126.903 2.081 . . . . 0.0 115.388 177.169 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.35 140.76 47.57 Favored 'General case' 0 CA--C 1.549 0.927 0 O-C-N 120.565 -1.334 . . . . 0.0 113.722 -178.162 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . . . . . . . . 1 C--N 1.229 -4.66 0 O-C-N 122.039 -0.413 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.7 mtm . . . . . 0 CA--C 1.549 0.92 0 N-CA-C 113.668 0.988 . . . . 0.0 113.668 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 76.6 mt -64.19 -47.69 78.79 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 113.819 1.044 . . . . 0.0 113.819 -179.996 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -56.19 -39.75 72.9 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.674 1.19 . . . . 0.0 113.639 -178.69 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 24.3 ttpp -60.09 -38.03 81.69 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.623 1.169 . . . . 0.0 112.6 172.62 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 18.0 ttpp -76.5 -35.36 58.39 Favored 'General case' 0 CA--C 1.552 1.051 0 C-N-CA 124.269 1.028 . . . . 0.0 113.173 179.15 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.2 mp -54.72 -50.75 57.87 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.267 0 CA-C-N 120.167 1.349 . . . . 0.0 110.008 163.174 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 41.1 mm-40 -60.07 -47.7 84.8 Favored 'General case' 0 C--O 1.217 -0.644 0 CA-C-O 115.834 -2.031 . . . . 0.0 112.084 174.166 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -64.6 -17.97 64.47 Favored 'General case' 0 CA--C 1.553 1.071 1 CA-C-N 126.176 4.08 . . . . 0.0 115.576 177.743 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -86.25 -48.16 8.78 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 121.005 1.729 . . . . 0.0 114.515 161.667 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.576 ' O ' ' HD1' ' A' ' 13' ' ' TYR . . . -63.69 -63.77 1.08 Allowed 'General case' 0 N--CA 1.478 0.965 0 CA-C-O 115.704 -2.093 . . . . 0.0 115.797 168.194 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -50.34 -24.46 3.0 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 124.26 3.209 . . . . 0.0 118.071 -165.224 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 59.3 mttp -62.42 -36.62 82.95 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 123.859 0.864 . . . . 0.0 112.616 169.327 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.576 ' HD1' ' O ' ' A' ' 10' ' ' ALA 0.295 1.6 m-85 53.5 -29.96 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 118.925 2.935 . . . . 0.0 118.925 178.721 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -62.44 -33.92 75.76 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.612 1.565 . . . . 0.0 112.835 168.783 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 62.4 m-85 -76.28 65.77 2.27 Favored 'General case' 0 CA--C 1.548 0.886 0 CA-C-O 124.058 1.885 . . . . 0.0 112.076 169.064 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.43 -50.66 73.07 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 111.118 -2.765 . . . . 0.0 115.495 -167.079 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 4.2 mpp? -63.66 -31.76 73.03 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.154 0.982 . . . . 0.0 113.102 178.773 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 37.8 mt -83.08 -47.44 11.66 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.065 0.946 . . . . 0.0 110.962 -173.666 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.7 tmmm? -52.94 -42.03 65.04 Favored 'General case' 0 CA--C 1.55 0.944 0 N-CA-C 114.441 1.274 . . . . 0.0 114.441 159.301 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.25 -32.35 73.73 Favored 'General case' 0 CA--C 1.549 0.933 0 CA-C-N 121.11 1.777 . . . . 0.0 112.187 169.958 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 18.2 m -60.73 -38.17 84.23 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 122.68 2.491 . . . . 0.0 114.699 163.18 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -50.49 -55.9 13.94 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 120.295 1.407 . . . . 0.0 110.803 164.362 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.261 6.4 m-30 -72.35 -25.33 61.49 Favored 'General case' 0 CA--C 1.554 1.098 0 N-CA-C 113.675 0.991 . . . . 0.0 113.675 -173.982 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.28 -34.9 78.69 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.144 1.378 . . . . 0.0 113.456 164.155 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -78.07 -32.62 43.56 Favored Glycine 0 CA--C 1.534 1.269 0 CA-C-O 118.97 -0.905 . . . . 0.0 115.15 168.679 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.33 -46.46 80.17 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 119.028 1.414 . . . . 0.0 113.807 174.78 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -74.91 40.19 0.14 Allowed 'General case' 0 CA--C 1.555 1.149 0 N-CA-C 115.515 1.672 . . . . 0.0 115.515 178.388 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 34.4 mmt180 -117.22 72.43 0.83 Allowed 'General case' 0 CA--C 1.546 0.819 0 O-C-N 119.685 -1.885 . . . . 0.0 112.796 -175.3 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 23.2 m120 -84.05 -56.44 3.67 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 115.307 -0.86 . . . . 0.0 112.932 175.384 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -68.16 -33.43 74.45 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 114.429 1.27 . . . . 0.0 114.429 176.299 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -77.84 84.68 4.14 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 113.466 0.913 . . . . 0.0 113.466 -179.22 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.48 -49.79 66.71 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 116.812 2.153 . . . . 0.0 116.812 -174.46 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 90.2 m -109.01 99.58 8.89 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 121.228 1.831 . . . . 0.0 109.376 -178.13 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 77.5 m -59.19 -40.35 85.42 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 114.948 1.462 . . . . 0.0 114.948 -174.796 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -66.49 -16.77 64.38 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 114.612 1.338 . . . . 0.0 114.612 -177.683 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -69.16 -50.56 46.58 Favored 'General case' 0 CA--C 1.55 0.971 0 CA-C-O 122.566 1.174 . . . . 0.0 110.829 166.881 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.609 ' O ' HD12 ' A' ' 41' ' ' ILE . 8.6 mpt_? -66.09 -44.35 84.67 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 114.579 -1.191 . . . . 0.0 110.128 177.92 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . 0.258 . . -85.75 5.35 32.72 Favored 'General case' 0 CA--C 1.551 0.995 0 N-CA-C 116.231 1.937 . . . . 0.0 116.231 173.775 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.51 -32.48 64.28 Favored 'General case' 0 CA--C 1.543 0.705 0 O-C-N 119.429 -2.044 . . . . 0.0 112.519 145.382 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 70.9 mtt85 -73.81 -44.63 55.25 Favored 'General case' 0 CA--C 1.553 1.076 0 O-C-N 120.787 -1.195 . . . . 0.0 113.406 166.706 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.609 HD12 ' O ' ' A' ' 37' ' ' ARG 0.257 3.2 mp -68.96 84.93 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.551 1.002 0 CA-C-O 126.806 3.193 . . . . 0.0 113.122 167.363 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 55.1 mttp -94.83 11.07 32.88 Favored 'General case' 0 CA--C 1.545 0.781 1 CA-C-N 107.87 -4.241 . . . . 0.0 115.857 -176.877 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 46.3 mm -63.35 -34.99 70.45 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.905 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 -167.77 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -177.36 161.73 29.33 Favored Glycine 0 CA--C 1.546 1.987 0 CA-C-O 118.103 -1.387 . . . . 0.0 115.234 171.86 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_exo -52.65 -47.17 28.63 Favored 'Trans proline' 0 C--N 1.36 1.146 0 C-N-CA 124.976 3.784 . . . . 0.0 115.423 174.239 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -68.74 -24.68 64.48 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 123.68 0.792 . . . . 0.0 112.469 174.879 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.5 -56.52 7.14 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.67 172.296 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -50.94 -42.11 23.14 Favored 'Isoleucine or valine' 0 C--N 1.352 0.689 0 CA-C-N 120.227 1.376 . . . . 0.0 114.605 169.762 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.27 -52.18 66.68 Favored 'General case' 0 CA--C 1.55 0.945 0 N-CA-C 114.961 1.467 . . . . 0.0 114.961 172.895 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.57 -47.54 79.29 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.368 1.067 . . . . 0.0 110.884 171.345 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.556 ' CE2' HD13 ' A' ' 41' ' ' ILE . 2.8 t80 -54.68 -55.07 33.62 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.05 1.34 . . . . 0.0 112.441 176.712 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 25.5 ttpt -64.83 -38.56 91.39 Favored 'General case' 0 CA--C 1.55 0.944 0 N-CA-C 113.985 1.105 . . . . 0.0 113.985 -179.845 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.63 -50.37 72.82 Favored 'General case' 0 CA--C 1.551 0.984 0 CA-C-N 120.417 1.462 . . . . 0.0 113.902 172.379 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 10.9 m -64.73 -27.76 69.13 Favored 'General case' 0 CA--C 1.551 1.017 0 N-CA-C 114.438 1.273 . . . . 0.0 114.438 171.358 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 52.1 t -61.36 -38.79 88.23 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 121.194 1.815 . . . . 0.0 113.276 164.323 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -57.59 -42.89 84.06 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 119.943 1.247 . . . . 0.0 112.866 166.616 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 24.5 mm -60.6 -46.46 95.62 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 N-CA-C 114.079 1.14 . . . . 0.0 114.079 168.084 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.15 -42.97 77.82 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 113.225 0.824 . . . . 0.0 113.225 173.668 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -66.42 -32.7 74.23 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 114.867 1.432 . . . . 0.0 114.867 171.375 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -62.7 -43.42 98.85 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 120.068 1.304 . . . . 0.0 112.93 164.195 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 97.4 t -62.42 -33.9 61.72 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.936 0 CA-C-N 120.036 1.289 . . . . 0.0 112.961 172.914 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -61.83 -47.23 86.01 Favored 'General case' 0 CA--C 1.546 0.802 0 O-C-N 120.666 -1.271 . . . . 0.0 113.339 167.467 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.34 -51.45 10.09 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 114.726 1.38 . . . . 0.0 114.726 179.739 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -84.63 62.12 7.14 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-O 123.187 1.47 . . . . 0.0 111.3 -176.859 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -127.65 126.56 42.2 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 115.334 -0.848 . . . . 0.0 113.225 -173.531 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . . . . . . . . 1 C--N 1.23 -4.622 0 CA-C-N 118.031 0.378 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.7 mtp . . . . . 0 CA--C 1.545 0.766 0 N-CA-C 112.948 0.722 . . . . 0.0 112.948 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 83.9 mt -112.39 120.91 43.29 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-O 123.7 1.714 . . . . 0.0 113.493 -174.459 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 73.1 tp60 -56.2 -48.78 75.75 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 112.446 -2.161 . . . . 0.0 113.204 175.103 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 57.9 tttp -53.8 -38.79 64.91 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.787 1.635 . . . . 0.0 113.643 172.306 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -82.43 -23.52 34.79 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 115.781 1.771 . . . . 0.0 115.781 179.333 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.7 mt -57.64 -53.09 49.17 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.315 0 CA-C-N 122.154 2.252 . . . . 0.0 108.114 159.817 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -59.32 -44.38 92.58 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 116.832 -1.556 . . . . 0.0 112.742 -179.697 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -71.61 -33.35 68.92 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 123.0 2.637 . . . . 0.0 116.24 173.861 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.61 -57.15 3.97 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 123.884 3.038 . . . . 0.0 112.852 172.43 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.92 3.21 2.78 Favored 'General case' 0 CA--C 1.556 1.202 0 N-CA-C 117.226 2.306 . . . . 0.0 117.226 170.817 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -79.24 -41.97 27.01 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 124.28 3.218 . . . . 0.0 114.374 154.528 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 35.6 mtmm -63.55 -45.29 91.2 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 114.714 1.376 . . . . 0.0 114.714 -167.994 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 62.24 -29.6 0.07 Allowed 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 117.056 2.243 . . . . 0.0 117.056 173.013 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -61.08 -39.37 89.63 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.259 1.423 . . . . 0.0 111.921 164.902 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -78.85 66.63 4.37 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-O 124.481 2.086 . . . . 0.0 111.741 167.092 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.88 -47.75 83.83 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 110.319 -3.128 . . . . 0.0 114.597 -170.484 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 34.5 ttm -64.53 -32.24 73.8 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.219 1.008 . . . . 0.0 112.786 177.917 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 79.1 mt -83.55 -43.45 15.7 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 123.38 0.672 . . . . 0.0 112.549 -175.531 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.91 -29.74 70.22 Favored 'General case' 0 CA--C 1.551 0.981 0 CA-C-N 119.495 1.043 . . . . 0.0 113.192 163.11 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -67.97 -30.83 70.21 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-N 122.672 2.487 . . . . 0.0 111.501 168.642 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 7.0 t -63.77 -37.92 89.16 Favored 'General case' 0 CA--C 1.552 1.033 0 CA-C-N 120.656 1.571 . . . . 0.0 113.512 166.525 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.1 t -48.07 -56.98 6.45 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.19 0.596 . . . . 0.0 110.908 158.78 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.268 5.8 m-30 -72.67 -21.33 61.09 Favored 'General case' 0 CA--C 1.554 1.103 0 N-CA-C 114.396 1.258 . . . . 0.0 114.396 -174.207 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -61.38 -38.24 86.32 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.159 1.384 . . . . 0.0 112.913 160.412 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.84 -34.34 62.44 Favored Glycine 0 CA--C 1.535 1.298 0 CA-C-O 118.726 -1.041 . . . . 0.0 115.619 167.175 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.85 -47.76 65.15 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 119.725 1.763 . . . . 0.0 114.386 175.421 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -75.92 55.04 0.87 Allowed 'General case' 0 CA--C 1.553 1.077 0 CA-C-N 120.515 1.507 . . . . 0.0 114.286 -179.992 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 27.4 mmt180 -123.43 156.66 35.07 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 124.325 1.05 . . . . 0.0 113.025 -177.774 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -155.46 -76.57 0.1 Allowed 'General case' 0 CA--C 1.544 0.728 0 O-C-N 121.639 -0.663 . . . . 0.0 112.091 -169.626 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -73.22 45.06 0.15 Allowed 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 125.415 1.486 . . . . 0.0 114.105 -178.179 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -115.5 104.72 12.02 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 121.002 -1.061 . . . . 0.0 112.492 -169.03 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -63.65 -36.26 83.24 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 113.867 1.062 . . . . 0.0 113.867 176.686 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 94.8 m -152.16 121.91 6.97 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 120.312 -1.492 . . . . 0.0 111.105 176.903 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 94.9 m -58.13 -43.51 87.32 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.03 1.332 . . . . 0.0 114.166 -178.884 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 25.4 mp0 -65.71 -26.83 67.93 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.772 1.229 . . . . 0.0 114.17 -178.232 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -70.9 -51.3 26.97 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 120.422 1.464 . . . . 0.0 110.28 173.568 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.585 ' O ' HD12 ' A' ' 41' ' ' ILE . 43.5 mmm-85 -57.7 -48.25 80.1 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 115.228 -0.897 . . . . 0.0 111.047 174.114 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -80.48 -4.96 55.82 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 116.906 2.187 . . . . 0.0 116.906 175.107 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.89 -33.12 74.9 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 119.191 -2.193 . . . . 0.0 112.339 152.079 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 25.8 mmt180 -73.66 -38.77 64.85 Favored 'General case' 0 CA--C 1.553 1.065 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 168.667 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.585 HD12 ' O ' ' A' ' 37' ' ' ARG 0.313 3.4 mp -72.46 81.86 0.36 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.947 0 CA-C-O 127.598 3.571 . . . . 0.0 112.986 167.278 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.6 4.72 42.69 Favored 'General case' 0 CA--C 1.542 0.648 1 CA-C-N 106.662 -4.79 . . . . 0.0 116.814 -170.72 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 67.4 mt -65.8 -47.7 84.79 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.826 0 N-CA-C 114.283 1.216 . . . . 0.0 114.283 -165.105 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -167.94 158.24 30.94 Favored Glycine 0 CA--C 1.544 1.9 0 CA-C-O 117.375 -1.792 . . . . 0.0 115.828 178.491 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -52.08 -50.5 13.8 Favored 'Trans proline' 0 C--N 1.361 1.217 0 C-N-CA 125.279 3.986 . . . . 0.0 116.113 179.817 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.3 -29.99 71.21 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 113.463 0.912 . . . . 0.0 113.463 174.389 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 42.9 t -67.5 -61.63 1.81 Allowed 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 117.342 -1.313 . . . . 0.0 109.767 173.847 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -48.87 -36.88 8.44 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.683 0 CA-C-N 120.906 1.685 . . . . 0.0 115.295 172.51 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.6 ttpp -66.45 -58.72 4.66 Favored 'General case' 0 CA--C 1.554 1.111 0 CA-C-O 117.797 -1.097 . . . . 0.0 113.942 171.733 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -48.87 -43.45 38.93 Favored 'General case' 0 N--CA 1.482 1.153 0 CA-C-N 120.357 1.435 . . . . 0.0 111.281 171.873 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.557 ' CE2' HD13 ' A' ' 41' ' ' ILE . 3.5 t80 -55.86 -58.53 7.48 Favored 'General case' 0 C--N 1.349 0.544 0 CA-C-O 117.35 -1.309 . . . . 0.0 112.185 173.52 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 31.3 mttp -60.72 -31.97 71.25 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 120.994 1.724 . . . . 0.0 113.953 179.818 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -67.3 -52.86 35.35 Favored 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 113.552 0.945 . . . . 0.0 113.552 175.241 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 20.0 m -66.02 -28.02 68.55 Favored 'General case' 0 CA--C 1.55 0.958 0 N-CA-C 114.677 1.362 . . . . 0.0 114.677 169.411 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.9 t -69.97 -31.68 69.53 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 121.379 1.9 . . . . 0.0 112.79 170.637 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.442 ' O ' ' HG2' ' A' ' 60' ' ' GLN . 1.0 OUTLIER -55.14 -49.61 71.35 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-O 117.963 -1.018 . . . . 0.0 111.553 160.511 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 27.7 mm -55.44 -48.25 77.32 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.233 0 CA-C-N 120.235 1.379 . . . . 0.0 114.459 168.33 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.05 -51.07 65.22 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 114.056 1.132 . . . . 0.0 114.056 177.555 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 17.9 p30 -66.72 -34.55 78.09 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 120.288 1.403 . . . . 0.0 114.074 175.348 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.442 ' HG2' ' O ' ' A' ' 56' ' ' TYR . 48.3 mm-40 -67.15 -49.39 64.94 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 119.937 1.244 . . . . 0.0 112.774 171.774 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.1 p -66.48 -31.8 55.2 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.797 0 CA-C-N 120.574 1.534 . . . . 0.0 113.071 179.223 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.7 -41.24 94.78 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 119.517 1.053 . . . . 0.0 113.677 168.542 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.2 -29.35 63.89 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 114.293 1.22 . . . . 0.0 114.293 173.724 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -75.51 -28.41 59.13 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 115.094 1.516 . . . . 0.0 115.094 175.082 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -85.35 -29.29 24.6 Favored 'General case' 0 CA--C 1.55 0.98 0 N-CA-C 115.675 1.731 . . . . 0.0 115.675 -179.534 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . . . . . . . . 1 C--N 1.233 -4.458 0 CA-C-N 120.633 1.56 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.2 mtp . . . . . 0 CA--C 1.543 0.698 0 N-CA-C 113.416 0.895 . . . . 0.0 113.416 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 51.8 mt -133.35 129.92 38.12 Favored 'General case' 0 CA--C 1.549 0.926 0 CA-C-O 124.1 1.905 . . . . 0.0 115.817 -171.108 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 19.7 mp0 -54.41 -39.47 67.34 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 111.841 -2.436 . . . . 0.0 113.302 172.12 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 50.0 tptt -61.12 -35.29 76.65 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.52 1.128 . . . . 0.0 113.138 173.885 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 36.0 mmtm -76.44 -36.07 58.15 Favored 'General case' 0 CA--C 1.545 0.771 0 O-C-N 121.158 -0.964 . . . . 0.0 113.201 178.352 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.5 mp -56.42 -49.13 78.52 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.39 0 CA-C-N 119.831 1.196 . . . . 0.0 109.889 163.943 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -55.93 -54.96 38.37 Favored 'General case' 0 C--N 1.347 0.488 0 CA-C-O 116.451 -1.738 . . . . 0.0 111.557 174.558 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -59.86 -28.96 67.97 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-N 123.454 2.843 . . . . 0.0 116.146 -179.324 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -86.1 -54.3 4.56 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 122.528 2.422 . . . . 0.0 114.059 167.547 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.05 1.58 4.47 Favored 'General case' 0 CA--C 1.555 1.166 0 N-CA-C 117.007 2.225 . . . . 0.0 117.007 173.071 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.6 -33.92 47.1 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 118.445 -2.66 . . . . 0.0 114.298 156.625 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 55.3 mttp -68.34 -49.92 56.9 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 114.009 1.114 . . . . 0.0 114.009 -170.318 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 61.37 -28.4 0.06 Allowed 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 116.914 2.19 . . . . 0.0 116.914 175.942 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 39.9 ttpt -59.96 -43.48 95.04 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.549 1.54 . . . . 0.0 111.553 162.673 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -77.31 66.06 3.0 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-O 124.299 2.0 . . . . 0.0 111.979 166.945 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.44 -48.29 82.22 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 110.793 -2.912 . . . . 0.0 114.694 -170.506 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 28.2 ttp -65.93 -28.79 69.18 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.953 0.901 . . . . 0.0 112.622 178.418 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 65.3 mt -87.33 -42.51 12.83 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 121.532 -0.73 . . . . 0.0 112.372 -174.621 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.93 -31.91 72.27 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-N 119.907 1.231 . . . . 0.0 112.98 160.344 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.9 tmtm? -68.83 -32.98 73.06 Favored 'General case' 0 CA--C 1.552 1.025 0 O-C-N 119.384 -2.073 . . . . 0.0 111.866 171.553 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.9 t -58.58 -41.34 85.51 Favored 'General case' 0 CA--C 1.551 1.004 0 CA-C-N 119.619 1.099 . . . . 0.0 112.612 165.275 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -47.39 -54.76 10.41 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-N 118.874 0.761 . . . . 0.0 111.565 160.655 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.276 5.2 m-30 -70.84 -27.36 63.8 Favored 'General case' 0 CA--C 1.552 1.044 0 N-CA-C 113.992 1.108 . . . . 0.0 113.992 -174.385 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -61.09 -34.69 75.32 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 115.034 1.494 . . . . 0.0 115.034 159.807 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.99 -36.64 86.53 Favored Glycine 0 CA--C 1.535 1.299 0 CA-C-N 119.158 0.89 . . . . 0.0 113.84 167.48 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.25 -54.72 13.29 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 114.546 1.313 . . . . 0.0 114.546 177.113 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . 0.265 2.0 p90 -80.81 45.43 0.81 Allowed 'General case' 0 CA--C 1.554 1.116 0 CA-C-N 122.799 2.545 . . . . 0.0 114.358 179.721 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 58.1 ttt85 -116.68 128.17 55.1 Favored 'General case' 0 CA--C 1.545 0.78 0 O-C-N 120.118 -1.614 . . . . 0.0 113.671 -169.43 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -100.34 76.8 1.9 Allowed 'General case' 0 CA--C 1.54 0.564 0 CA-C-O 123.437 1.589 . . . . 0.0 112.893 168.882 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -72.8 -42.96 63.35 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 112.976 -1.92 . . . . 0.0 112.503 173.089 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . 0.27 61.3 m-20 63.48 -40.62 0.2 Allowed 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 116.661 2.097 . . . . 0.0 116.661 179.689 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -74.25 -167.48 0.53 Allowed 'General case' 0 CA--C 1.559 1.299 0 CA-C-N 119.518 1.053 . . . . 0.0 113.504 160.336 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 27.1 m -73.21 104.47 4.27 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 119.584 -1.948 . . . . 0.0 112.41 -176.114 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.76 -45.1 93.29 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.009 1.324 . . . . 0.0 113.859 -171.887 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -68.92 -22.88 64.13 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 114.422 1.267 . . . . 0.0 114.422 179.301 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -73.95 -47.0 40.62 Favored 'General case' 0 CA--C 1.546 0.807 0 O-C-N 121.254 -0.904 . . . . 0.0 110.808 172.203 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.526 ' O ' HG13 ' A' ' 41' ' ' ILE . 24.5 mmt180 -57.86 -51.67 68.65 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.995 169.294 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -81.18 16.48 1.55 Allowed 'General case' 0 CA--C 1.55 0.952 0 N-CA-C 115.665 1.728 . . . . 0.0 115.665 170.995 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -78.54 -48.34 15.44 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 118.21 -2.806 . . . . 0.0 112.56 141.274 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.52 HH21 ' NE ' ' A' ' 37' ' ' ARG . 22.5 ptt-85 -80.32 -4.3 52.89 Favored 'General case' 0 CA--C 1.556 1.186 0 N-CA-C 116.818 2.155 . . . . 0.0 116.818 178.636 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.526 HG13 ' O ' ' A' ' 37' ' ' ARG 0.339 60.0 mt -71.79 83.85 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.968 0 CA-C-O 127.417 3.484 . . . . 0.0 112.803 170.957 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.38 14.09 1.05 Allowed 'General case' 0 CA--C 1.55 0.967 1 CA-C-N 108.188 -4.096 . . . . 0.0 117.043 -170.114 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 17.1 tt -68.64 -37.65 77.91 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.998 0 N-CA-C 114.867 1.432 . . . . 0.0 114.867 -172.693 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -179.94 136.13 2.66 Favored Glycine 0 CA--C 1.544 1.866 0 CA-C-O 115.644 -2.754 . . . . 0.0 114.05 177.105 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_exo -48.96 -55.37 4.21 Favored 'Trans proline' 0 C--N 1.362 1.243 2 C-N-CA 125.712 4.275 . . . . 0.0 118.047 -172.251 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -66.63 -30.95 71.35 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 113.389 0.885 . . . . 0.0 113.389 176.414 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 2.0 t -66.86 -60.71 2.42 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-O 115.702 -2.094 . . . . 0.0 108.222 175.742 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -47.97 -42.74 10.35 Favored 'Isoleucine or valine' 0 C--N 1.358 0.973 0 CA-C-N 122.55 2.432 . . . . 0.0 115.337 168.67 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 52.4 tttt -52.97 -61.5 2.26 Favored 'General case' 0 CA--C 1.554 1.115 0 CA-C-N 122.053 2.206 . . . . 0.0 113.378 173.948 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.33 -52.56 63.07 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 123.907 0.883 . . . . 0.0 111.653 175.792 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.424 ' HE2' HD12 ' A' ' 41' ' ' ILE . 71.7 t80 -58.89 -45.94 89.05 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.801 1.24 . . . . 0.0 114.002 178.311 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 15.8 ttmm -63.8 -42.77 97.65 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 120.434 1.47 . . . . 0.0 111.427 179.276 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -67.16 -43.32 82.54 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 176.949 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 10.0 m -64.67 -33.57 76.25 Favored 'General case' 0 CA--C 1.553 1.082 0 N-CA-C 114.934 1.457 . . . . 0.0 114.934 167.071 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.53 -41.25 94.06 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 120.713 1.597 . . . . 0.0 111.535 168.929 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -54.7 -46.62 74.19 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-O 117.947 -1.025 . . . . 0.0 112.795 166.57 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 29.9 mm -57.13 -48.79 81.4 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 CA-C-N 120.263 1.392 . . . . 0.0 113.619 169.454 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.19 -47.07 75.77 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 173.823 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -65.38 -38.05 88.86 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.271 1.028 . . . . 0.0 113.261 173.446 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -65.05 -46.51 80.95 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 119.15 0.886 . . . . 0.0 112.503 173.481 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 82.0 t -62.78 -38.08 80.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 CA-C-N 119.371 0.987 . . . . 0.0 112.366 173.834 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 39.1 ttm-85 -60.54 -39.52 88.21 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 113.404 0.89 . . . . 0.0 113.404 172.13 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.95 -52.23 9.76 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 113.737 1.014 . . . . 0.0 113.737 172.32 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -79.48 74.05 6.13 Favored 'General case' 0 CA--C 1.55 0.972 0 CA-C-O 123.618 1.675 . . . . 0.0 112.243 -177.488 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 86.1 mm-40 -99.77 -56.21 2.45 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 114.576 -1.193 . . . . 0.0 113.337 173.212 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . . . . . . . . 1 C--N 1.234 -4.452 0 CA-C-N 119.841 1.201 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 38.0 ttm . . . . . 0 CA--C 1.547 0.848 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -71.41 67.83 0.52 Allowed 'General case' 0 CA--C 1.556 1.182 0 CA-C-O 124.089 1.899 . . . . 0.0 115.902 -173.352 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -60.14 -30.22 69.16 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 113.245 -1.798 . . . . 0.0 114.237 172.621 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -59.34 -48.63 80.9 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.281 1.032 . . . . 0.0 112.453 170.659 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.3 mmmp? -66.02 -38.22 87.88 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-O 117.987 -1.006 . . . . 0.0 113.309 174.805 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 78.6 mt -52.72 -55.98 9.23 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 CA-C-N 118.885 0.766 . . . . 0.0 111.257 168.639 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -70.05 -34.62 73.45 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-O 116.896 -1.526 . . . . 0.0 113.348 178.092 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -66.37 -46.33 77.07 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 122.764 2.529 . . . . 0.0 113.913 174.788 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -106.54 27.49 8.76 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 123.139 2.699 . . . . 0.0 113.466 173.318 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.83 -63.31 1.41 Allowed 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 119.188 3.032 . . . . 0.0 119.188 114.52 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.34 -45.93 74.93 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 117.268 2.321 . . . . 0.0 117.268 -167.199 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.8 ttpm? -81.87 52.62 1.98 Allowed 'General case' 0 CA--C 1.554 1.122 0 CA-C-O 124.155 1.931 . . . . 0.0 113.449 -169.672 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -124.15 -131.95 0.26 Allowed 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 126.479 1.912 . . . . 0.0 106.824 162.776 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -98.52 46.45 1.0 Allowed 'General case' 0 CA--C 1.548 0.903 0 O-C-N 119.762 -1.836 . . . . 0.0 110.536 152.962 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . 0.363 6.0 p90 31.27 -76.41 0.0 OUTLIER 'General case' 0 CA--C 1.549 0.919 0 N-CA-C 118.614 2.82 . . . . 0.0 118.614 -167.43 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.58 -60.79 3.02 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 118.094 2.627 . . . . 0.0 118.094 -144.427 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 38.2 ttp -70.7 -29.34 65.62 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-O 122.318 1.056 . . . . 0.0 112.603 -176.342 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 55.9 mt -85.51 -49.86 7.73 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.994 -174.892 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 44.3 tttp -36.74 -46.85 0.63 Allowed 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 117.909 2.559 . . . . 0.0 117.909 148.497 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.85 -40.46 92.98 Favored 'General case' 0 CA--C 1.553 1.077 0 CA-C-N 122.687 2.494 . . . . 0.0 111.617 171.444 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 35.6 m -62.03 -35.89 79.92 Favored 'General case' 0 CA--C 1.548 0.881 0 CA-C-N 121.173 1.806 . . . . 0.0 114.85 168.44 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -49.15 -48.35 44.94 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 119.163 0.892 . . . . 0.0 111.04 162.073 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.278 6.0 m-30 -75.94 -27.79 57.72 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 114.183 1.179 . . . . 0.0 114.183 -174.732 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -57.97 -40.78 81.47 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 159.988 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.72 -50.83 51.62 Favored Glycine 0 CA--C 1.533 1.207 0 N-CA-C 115.138 0.815 . . . . 0.0 115.138 170.649 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.45 -37.36 72.72 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.07 1.348 . . . . 0.0 113.862 178.974 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -70.58 76.94 0.58 Allowed 'General case' 0 CA--C 1.548 0.894 0 CA-C-O 122.162 0.982 . . . . 0.0 111.086 161.804 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.5 108.69 2.49 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-O 121.986 0.898 . . . . 0.0 112.144 173.83 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 54.7 m-80 -100.82 -93.89 0.28 Allowed 'General case' 0 CA--C 1.547 0.83 0 O-C-N 121.732 -0.605 . . . . 0.0 112.385 179.436 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -62.47 -57.57 10.75 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 116.412 2.004 . . . . 0.0 116.412 -160.959 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -153.67 167.04 30.91 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-O 122.205 1.002 . . . . 0.0 113.033 -170.791 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.39 -24.19 67.24 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 115.936 1.828 . . . . 0.0 115.936 179.558 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 86.5 m -88.33 92.0 9.0 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 120.158 1.344 . . . . 0.0 110.012 -175.268 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 76.0 m -55.58 -38.5 69.48 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 114.673 1.36 . . . . 0.0 114.673 -175.0 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -71.13 -9.11 57.51 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 175.736 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -74.77 -56.13 5.11 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 122.068 2.213 . . . . 0.0 109.888 167.016 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.574 ' O ' HD12 ' A' ' 41' ' ' ILE . 32.1 mtm180 -53.1 -49.32 66.7 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 114.553 -1.203 . . . . 0.0 111.225 171.587 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -95.21 16.72 15.84 Favored 'General case' 0 CA--C 1.551 1.003 0 N-CA-C 116.941 2.2 . . . . 0.0 116.941 177.622 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.51 -38.13 65.44 Favored 'General case' 0 CA--C 1.54 0.562 0 O-C-N 119.387 -2.071 . . . . 0.0 111.765 140.644 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 21.6 mmt180 -69.43 -47.68 63.33 Favored 'General case' 0 CA--C 1.553 1.093 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 173.315 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.574 HD12 ' O ' ' A' ' 37' ' ' ARG . 3.5 mp -70.05 87.91 0.25 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.841 0 CA-C-O 127.222 3.391 . . . . 0.0 112.381 164.581 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.63 2.65 55.69 Favored 'General case' 0 CA--C 1.547 0.83 1 CA-C-N 106.694 -4.775 . . . . 0.0 116.218 -171.603 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 76.3 mt -62.23 -42.87 96.95 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.856 0 N-CA-C 114.595 1.331 . . . . 0.0 114.595 -162.644 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -176.87 160.91 28.42 Favored Glycine 0 CA--C 1.544 1.859 0 CA-C-O 117.651 -1.638 . . . . 0.0 115.609 174.795 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -50.93 -46.82 28.54 Favored 'Trans proline' 0 C--N 1.362 1.261 1 C-N-CA 125.385 4.057 . . . . 0.0 116.158 178.471 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -69.91 -27.04 64.45 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 113.178 0.807 . . . . 0.0 113.178 175.431 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.62 -54.2 17.94 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-O 117.589 -1.196 . . . . 0.0 111.125 171.736 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -49.01 -43.42 15.13 Favored 'Isoleucine or valine' 0 C--N 1.352 0.675 0 CA-C-N 120.308 1.413 . . . . 0.0 114.521 167.076 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.7 tttm -60.82 -52.3 65.67 Favored 'General case' 0 CA--C 1.552 1.048 0 N-CA-C 114.351 1.241 . . . . 0.0 114.351 175.416 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.56 -46.4 80.74 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 119.399 0.999 . . . . 0.0 111.467 171.387 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.571 ' CE2' HD13 ' A' ' 41' ' ' ILE . 4.2 t80 -53.87 -59.33 4.77 Favored 'General case' 0 C--N 1.349 0.544 0 C-N-CA 124.587 1.155 . . . . 0.0 111.472 174.884 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.11 -33.06 74.91 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 113.676 0.991 . . . . 0.0 113.676 -177.116 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -64.73 -57.14 9.78 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 120.297 1.408 . . . . 0.0 111.106 172.735 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.7 m -58.5 -42.09 86.86 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 114.415 1.265 . . . . 0.0 114.415 174.688 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 42.7 t -64.19 -39.37 93.84 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 120.047 1.294 . . . . 0.0 113.562 175.671 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -57.38 -51.41 69.52 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 119.939 1.245 . . . . 0.0 112.08 167.843 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 6.6 mt -65.94 -36.09 76.66 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.897 0 N-CA-C 113.056 0.762 . . . . 0.0 113.056 177.986 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.04 -46.64 82.25 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 167.867 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -65.59 -35.83 81.98 Favored 'General case' 0 CA--C 1.547 0.854 0 CA-C-N 119.607 1.094 . . . . 0.0 113.521 171.468 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -58.83 -45.18 90.61 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.058 0.943 . . . . 0.0 112.415 167.741 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 82.8 t -60.58 -43.93 95.67 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.782 0 CA-C-N 119.135 0.88 . . . . 0.0 112.589 170.22 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 26.0 mmt85 -61.53 -33.15 73.34 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 120.486 1.494 . . . . 0.0 114.337 171.568 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.86 -33.64 74.13 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 113.857 1.058 . . . . 0.0 113.857 168.073 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -73.51 -48.63 31.74 Favored 'General case' 0 CA--C 1.545 0.774 0 O-C-N 121.358 -0.839 . . . . 0.0 113.122 169.944 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -139.31 120.19 14.41 Favored 'General case' 0 CA--C 1.549 0.924 0 O-C-N 120.963 -1.086 . . . . 0.0 113.244 -179.183 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . . . . . . . . 1 C--N 1.23 -4.628 0 O-C-N 121.787 -0.571 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.5 mmm . . . . . 0 CA--C 1.55 0.972 0 N-CA-C 114.206 1.187 . . . . 0.0 114.206 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 72.6 mt 47.2 -89.66 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 127.389 2.276 . . . . 0.0 115.644 179.22 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 6.7 tm0? -63.3 -44.96 93.52 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 125.332 1.453 . . . . 0.0 111.354 175.452 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 30.7 mmtm -69.89 -29.56 66.78 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 115.186 -0.915 . . . . 0.0 112.622 175.065 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 8.6 mmmt -61.94 -44.56 96.51 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 120.206 1.366 . . . . 0.0 113.005 169.522 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 81.9 mt -52.57 -49.71 43.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 123.788 0.835 . . . . 0.0 111.388 167.654 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -62.94 -48.05 80.58 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-O 117.402 -1.285 . . . . 0.0 113.829 172.814 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -54.74 -45.27 74.11 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 115.342 1.608 . . . . 0.0 115.342 179.371 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -138.7 46.93 1.97 Allowed 'General case' 0 N--CA 1.472 0.661 0 CA-C-O 124.532 2.11 . . . . 0.0 111.54 -177.678 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.34 -59.66 4.67 Favored 'General case' 0 CA--C 1.548 0.872 1 N-CA-C 122.605 4.298 . . . . 0.0 122.605 85.556 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.97 -49.41 70.4 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 123.267 2.758 . . . . 0.0 118.049 -168.724 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -68.11 38.3 0.03 OUTLIER 'General case' 0 CA--C 1.556 1.194 0 N-CA-C 116.604 2.075 . . . . 0.0 116.604 -172.72 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -117.91 -131.16 0.31 Allowed 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 126.031 1.733 . . . . 0.0 107.759 170.189 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -99.04 40.72 1.18 Allowed 'General case' 0 CA--C 1.548 0.878 0 O-C-N 119.758 -1.839 . . . . 0.0 111.071 155.533 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 53.94 -86.14 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 126.206 1.802 . . . . 0.0 113.996 -174.345 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.84 -60.67 3.3 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 117.85 2.537 . . . . 0.0 117.85 -143.251 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 34.1 ttm -68.65 -36.19 78.25 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.563 0.745 . . . . 0.0 112.504 -175.35 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -75.12 -51.81 12.53 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 124.551 1.14 . . . . 0.0 111.226 -179.321 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 50.1 tttp -39.9 -47.18 2.14 Favored 'General case' 0 CA--C 1.549 0.912 0 N-CA-C 117.61 2.448 . . . . 0.0 117.61 154.406 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.5 tmtm? -59.34 -40.35 86.08 Favored 'General case' 0 CA--C 1.551 0.998 0 CA-C-N 122.16 2.254 . . . . 0.0 112.568 170.905 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 61.3 m -63.08 -36.97 85.34 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 120.946 1.703 . . . . 0.0 114.468 169.014 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -48.99 -47.64 44.09 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.892 0.877 . . . . 0.0 111.613 162.909 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.283 6.6 m-30 -76.2 -29.59 57.69 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 114.077 1.14 . . . . 0.0 114.077 -174.553 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -57.48 -40.54 78.82 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 112.767 0.654 . . . . 0.0 112.767 160.553 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.24 -50.41 56.67 Favored Glycine 0 CA--C 1.533 1.195 0 N-CA-C 115.242 0.857 . . . . 0.0 115.242 170.005 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.96 -37.35 71.44 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.86 1.264 . . . . 0.0 114.218 179.397 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 70.5 m-85 -71.03 75.42 0.65 Allowed 'General case' 0 CA--C 1.551 1.005 0 CA-C-O 122.095 0.95 . . . . 0.0 112.306 165.426 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.3 tpm_? -71.15 108.99 4.93 Favored 'General case' 0 CA--C 1.551 1.008 0 O-C-N 120.738 -1.227 . . . . 0.0 113.929 173.335 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.4 p-10 -83.08 102.45 11.82 Favored 'General case' 0 CA--C 1.547 0.837 0 O-C-N 120.484 -1.385 . . . . 0.0 111.472 168.099 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -69.34 61.47 0.13 Allowed 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 125.685 1.594 . . . . 0.0 115.218 -173.017 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -137.98 -68.94 0.45 Allowed 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 114.812 -1.086 . . . . 0.0 113.161 177.5 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -74.46 -173.66 1.81 Allowed 'General case' 0 CA--C 1.555 1.147 0 N-CA-C 115.461 1.652 . . . . 0.0 115.461 173.334 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 66.6 p -99.6 148.06 24.71 Favored 'General case' 0 N--CA 1.475 0.808 0 O-C-N 119.554 -1.966 . . . . 0.0 112.96 174.088 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 52.5 t -62.46 -48.72 78.42 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 114.247 1.203 . . . . 0.0 114.247 -173.869 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.3 mp0 -66.89 -32.39 73.61 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.128 0.971 . . . . 0.0 113.471 179.861 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -62.61 -50.78 69.88 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.078 1.351 . . . . 0.0 112.185 169.211 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.592 ' O ' HD12 ' A' ' 41' ' ' ILE . 19.3 ttp180 -54.86 -52.98 61.1 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 114.683 -1.144 . . . . 0.0 111.129 172.937 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -81.12 -2.66 49.25 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 117.28 2.326 . . . . 0.0 117.28 176.095 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.19 -36.36 81.59 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 119.615 -1.928 . . . . 0.0 112.266 152.535 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 49.3 mtt85 -70.52 -38.45 74.25 Favored 'General case' 0 CA--C 1.551 1.019 0 N-CA-C 113.58 0.956 . . . . 0.0 113.58 169.037 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.592 HD12 ' O ' ' A' ' 37' ' ' ARG 0.313 3.4 mp -73.23 84.89 0.46 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.938 0 CA-C-O 127.184 3.373 . . . . 0.0 113.934 170.582 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 32.3 mmtm -92.47 14.71 15.9 Favored 'General case' 0 CA--C 1.547 0.832 1 CA-C-N 107.162 -4.563 . . . . 0.0 116.172 -175.974 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 83.2 mt -65.26 -42.11 93.15 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.933 0 CA-C-N 119.916 1.235 . . . . 0.0 113.695 -171.177 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -178.03 159.94 25.92 Favored Glycine 0 CA--C 1.545 1.957 0 CA-C-O 117.349 -1.806 . . . . 0.0 114.983 173.856 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_exo -51.64 -49.87 15.81 Favored 'Trans proline' 0 C--N 1.361 1.185 0 C-N-CA 125.213 3.942 . . . . 0.0 116.245 179.378 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -68.39 -24.61 64.79 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 113.639 0.978 . . . . 0.0 113.639 174.986 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -71.2 -53.74 13.39 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 117.629 -1.177 . . . . 0.0 110.852 172.966 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -51.0 -40.27 20.54 Favored 'Isoleucine or valine' 0 C--N 1.352 0.692 0 CA-C-N 120.68 1.582 . . . . 0.0 114.494 167.176 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.0 tttm -63.39 -49.81 72.34 Favored 'General case' 0 CA--C 1.555 1.168 0 N-CA-C 114.455 1.28 . . . . 0.0 114.455 173.607 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.28 -44.99 84.48 Favored 'General case' 0 N--CA 1.481 1.075 0 CA-C-N 120.921 1.691 . . . . 0.0 111.152 170.496 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.575 ' CE2' HD13 ' A' ' 41' ' ' ILE . 3.4 t80 -53.61 -60.24 3.57 Favored 'General case' 0 C--N 1.349 0.56 0 C-N-CA 124.53 1.132 . . . . 0.0 111.414 174.087 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -59.49 -40.95 88.68 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 119.482 1.037 . . . . 0.0 113.349 -178.864 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.421 ' O ' HG12 ' A' ' 57' ' ' ILE . 15.2 t70 -60.89 -55.63 30.77 Favored 'General case' 0 CA--C 1.549 0.918 0 CA-C-N 119.938 1.244 . . . . 0.0 112.239 176.226 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.9 m -58.8 -44.93 90.91 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 171.869 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 12.3 t -61.85 -40.38 95.12 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 119.956 1.253 . . . . 0.0 112.82 177.464 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -60.37 -49.97 75.48 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-O 117.499 -1.239 . . . . 0.0 112.289 169.248 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.421 HG12 ' O ' ' A' ' 53' ' ' ASP . 14.5 mm -59.8 -46.38 93.72 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 CA-C-N 120.671 1.578 . . . . 0.0 111.894 176.755 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.65 -50.55 71.74 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.346 1.058 . . . . 0.0 113.472 173.678 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -64.93 -35.95 82.81 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 119.347 0.976 . . . . 0.0 113.285 177.344 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 29.6 tp60 -66.87 -46.55 74.62 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 119.515 1.052 . . . . 0.0 111.946 172.717 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 71.1 t -64.22 -43.22 97.25 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.722 0 O-C-N 121.438 -0.789 . . . . 0.0 112.631 173.976 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 28.2 mmm180 -67.14 -27.21 67.12 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 120.487 1.494 . . . . 0.0 114.822 173.949 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.85 -54.84 11.69 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 120.188 1.358 . . . . 0.0 112.653 164.741 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -78.62 62.65 3.23 Favored 'General case' 0 CA--C 1.55 0.959 0 CA-C-O 122.994 1.378 . . . . 0.0 114.579 -179.216 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -108.05 -52.55 2.75 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-O 117.958 -1.02 . . . . 0.0 113.304 173.271 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . . . . . . . . 1 C--N 1.233 -4.465 0 CA-C-N 119.848 1.204 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.546 0.809 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 . . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 84.7 mt -110.74 9.63 22.71 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 113.849 1.055 . . . . 0.0 113.849 -178.27 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 21.4 mp0 -58.6 -38.03 77.08 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 115.353 1.612 . . . . 0.0 115.353 -176.691 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -76.02 -28.6 57.81 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 114.825 1.417 . . . . 0.0 114.825 172.45 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.2 tttm -63.29 -42.14 99.05 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 120.39 1.45 . . . . 0.0 110.924 165.978 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.3 mp -59.72 -43.08 90.72 Favored 'Isoleucine or valine' 0 C--N 1.342 0.275 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.929 168.407 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -63.63 -42.68 98.13 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 123.129 2.695 . . . . 0.0 114.379 169.387 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -55.12 -41.33 71.56 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.782 1.233 . . . . 0.0 114.053 175.855 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -143.97 56.7 1.33 Allowed 'General case' 0 N--CA 1.472 0.665 0 CA-C-O 125.053 2.359 . . . . 0.0 111.491 175.684 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.54 -51.32 70.39 Favored 'General case' 0 CA--C 1.549 0.917 1 N-CA-C 121.858 4.022 . . . . 0.0 121.858 81.165 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.31 -46.64 66.64 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 117.925 2.565 . . . . 0.0 117.925 -173.7 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 30.6 ttmt -51.99 -3.05 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.124 0 N-CA-C 118.615 2.82 . . . . 0.0 118.615 -174.786 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -92.76 -109.9 0.11 Allowed 'General case' 0 CA--C 1.551 0.991 0 O-C-N 119.538 -1.976 . . . . 0.0 109.784 -177.171 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -107.33 43.19 1.2 Allowed 'General case' 0 CA--C 1.547 0.848 0 O-C-N 118.726 -2.484 . . . . 0.0 111.554 160.591 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 56.4 -94.86 0.05 OUTLIER 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 126.124 1.77 . . . . 0.0 114.734 179.056 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.37 -53.63 22.69 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 116.248 1.944 . . . . 0.0 116.248 -155.0 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 35.4 ttm -70.09 -34.11 72.73 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.589 0.756 . . . . 0.0 112.244 -176.81 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -78.42 -45.27 22.7 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.04 0.936 . . . . 0.0 112.599 178.322 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 51.3 tttp -44.16 -43.66 7.22 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 117.432 2.382 . . . . 0.0 117.432 151.823 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.0 tptp -63.77 -33.53 75.87 Favored 'General case' 0 CA--C 1.558 1.267 0 CA-C-N 122.427 2.376 . . . . 0.0 113.321 170.257 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 63.1 m -59.22 -42.42 90.95 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 121.25 1.841 . . . . 0.0 114.206 166.019 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.6 t -48.8 -51.57 28.61 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.814 0.846 . . . . 0.0 110.683 164.285 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.303 5.6 m-30 -73.86 -21.42 60.1 Favored 'General case' 0 CA--C 1.551 1.014 0 N-CA-C 114.314 1.227 . . . . 0.0 114.314 -174.658 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -60.47 -42.68 96.71 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.448 0.699 . . . . 0.0 112.882 158.334 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.28 -47.49 84.17 Favored Glycine 0 CA--C 1.535 1.3 0 N-CA-C 115.219 0.847 . . . . 0.0 115.219 170.109 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.29 -36.46 80.12 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 177.977 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -67.89 93.21 0.39 Allowed 'General case' 0 CA--C 1.55 0.971 0 CA-C-N 119.162 0.892 . . . . 0.0 110.872 163.45 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 66.8 ttt180 -127.61 130.95 49.89 Favored 'General case' 0 CA--C 1.546 0.803 0 O-C-N 120.747 -1.221 . . . . 0.0 113.572 169.109 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 15.1 p30 -98.79 171.6 7.98 Favored 'General case' 0 CA--C 1.552 1.026 0 O-C-N 121.069 -1.019 . . . . 0.0 112.771 162.215 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -59.2 -24.58 63.24 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 116.121 1.897 . . . . 0.0 116.121 -174.165 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -84.26 -27.57 27.8 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 113.909 1.077 . . . . 0.0 113.909 179.692 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -71.15 135.02 47.4 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 114.844 1.424 . . . . 0.0 114.844 -177.394 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 80.4 m -115.26 130.69 56.98 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 120.823 -1.173 . . . . 0.0 110.715 173.225 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 93.0 m -55.12 -59.05 5.29 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 115.588 1.699 . . . . 0.0 115.588 -161.78 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -79.27 -15.01 58.65 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 114.319 1.229 . . . . 0.0 114.319 -178.404 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -67.64 -58.16 5.16 Favored 'General case' 0 C--O 1.242 0.689 0 CA-C-N 119.511 1.051 . . . . 0.0 110.533 167.12 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.62 ' O ' HD12 ' A' ' 41' ' ' ILE . 28.7 ptt180 -66.91 -37.61 84.68 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 117.492 -1.242 . . . . 0.0 111.839 176.568 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . 0.259 . . -89.65 11.03 20.97 Favored 'General case' 0 CA--C 1.55 0.969 0 CA-C-N 122.29 2.313 . . . . 0.0 116.636 172.339 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.13 -41.6 63.8 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 119.228 -2.17 . . . . 0.0 111.769 142.263 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 36.1 ttp-105 -69.45 -40.5 77.15 Favored 'General case' 0 CA--C 1.556 1.211 0 N-CA-C 114.01 1.115 . . . . 0.0 114.01 172.686 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.62 HD12 ' O ' ' A' ' 37' ' ' ARG . 3.3 mp -72.83 83.73 0.41 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.839 0 CA-C-O 127.021 3.296 . . . . 0.0 112.011 160.896 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -100.43 19.14 17.31 Favored 'General case' 0 CA--C 1.548 0.884 1 CA-C-N 107.442 -4.435 . . . . 0.0 115.225 -174.817 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 81.0 mt -66.11 -41.13 88.89 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.866 0 C-N-CA 124.095 0.958 . . . . 0.0 113.492 -171.292 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -174.14 158.97 28.02 Favored Glycine 0 CA--C 1.544 1.899 0 CA-C-O 117.617 -1.657 . . . . 0.0 115.402 174.825 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -51.31 -46.1 33.3 Favored 'Trans proline' 0 C--N 1.361 1.202 0 C-N-CA 125.297 3.998 . . . . 0.0 116.068 176.924 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 57.9 mtmt -67.7 -28.54 67.76 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.946 0.898 . . . . 0.0 113.042 175.314 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 47.2 t -70.23 -54.62 11.98 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-O 117.188 -1.386 . . . . 0.0 110.852 173.684 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -49.94 -42.46 18.88 Favored 'Isoleucine or valine' 0 C--N 1.352 0.683 0 CA-C-N 120.605 1.548 . . . . 0.0 114.65 167.907 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 32.5 tttm -62.74 -52.56 62.75 Favored 'General case' 0 CA--C 1.551 0.986 0 CA-C-O 117.441 -1.266 . . . . 0.0 113.72 173.133 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.22 -44.11 75.12 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 121.192 1.815 . . . . 0.0 111.162 173.334 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.562 ' CE2' HD13 ' A' ' 41' ' ' ILE . 3.2 t80 -55.13 -55.02 35.82 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.719 1.208 . . . . 0.0 112.22 172.956 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 18.4 tppt? -63.75 -39.94 95.49 Favored 'General case' 0 CA--C 1.55 0.961 0 CA-C-N 119.685 1.13 . . . . 0.0 113.793 179.03 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -53.95 -57.44 11.0 Favored 'General case' 0 CA--C 1.554 1.123 0 CA-C-N 120.466 1.485 . . . . 0.0 112.798 170.465 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 5.9 m -61.18 -34.34 74.9 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 115.702 1.741 . . . . 0.0 115.702 170.973 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -66.55 -34.27 77.53 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 121.065 1.757 . . . . 0.0 112.322 171.596 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -58.84 -47.07 86.15 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-O 116.576 -1.678 . . . . 0.0 112.852 164.239 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.481 1.9 pp -70.54 -28.27 34.12 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 CA-C-N 122.987 2.63 . . . . 0.0 115.353 171.75 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.73 -42.78 84.57 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 121.646 2.021 . . . . 0.0 112.549 168.032 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -62.24 -46.51 88.51 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 113.335 0.865 . . . . 0.0 113.335 168.381 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -59.78 -46.72 88.3 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 119.379 0.99 . . . . 0.0 112.914 174.48 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 71.5 t -62.79 -42.46 96.4 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.637 0 CA-C-O 117.966 -1.016 . . . . 0.0 112.35 173.833 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.685 HH11 ' N ' ' A' ' 66' ' ' SER . 25.3 tpt85 -69.24 -31.37 69.88 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-N 121.199 1.818 . . . . 0.0 114.194 174.665 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.88 -33.57 74.98 Favored 'General case' 0 CA--C 1.547 0.858 0 O-C-N 120.165 -1.584 . . . . 0.0 113.677 167.597 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -74.65 -51.46 14.37 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 124.593 1.157 . . . . 0.0 113.165 171.991 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -118.9 -61.36 1.66 Allowed 'General case' 0 CA--C 1.549 0.906 0 O-C-N 120.758 -1.214 . . . . 0.0 113.578 -178.114 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.685 ' N ' HH11 ' A' ' 62' ' ' ARG . . . . . . . . 1 C--N 1.237 -4.324 0 CA-C-N 120.596 1.544 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.7 ptp . . . . . 0 CA--C 1.551 0.994 0 N-CA-C 114.432 1.271 . . . . 0.0 114.432 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 8.0 mp 59.38 -97.79 0.08 Allowed 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.779 1.631 . . . . 0.0 113.212 178.567 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.403 ' NE2' ' H ' ' A' ' 4' ' ' LYS . 0.6 OUTLIER -61.36 -47.07 87.56 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 115.258 1.577 . . . . 0.0 115.258 -170.036 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.403 ' H ' ' NE2' ' A' ' 3' ' ' GLN . 61.5 tttp -59.53 -43.45 93.44 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.033 1.333 . . . . 0.0 112.947 175.06 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -73.24 -41.69 63.43 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-O 116.846 -1.55 . . . . 0.0 114.023 178.895 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 5.8 mt -61.61 -39.83 84.47 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 CA-C-N 122.562 2.437 . . . . 0.0 110.014 170.918 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -60.13 -62.37 1.92 Allowed 'General case' 0 CA--C 1.543 0.682 0 CA-C-O 117.683 -1.151 . . . . 0.0 111.99 170.95 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -71.95 -23.19 61.41 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 122.494 2.406 . . . . 0.0 115.714 -176.034 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -95.78 -24.47 16.47 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 121.004 1.729 . . . . 0.0 113.527 175.4 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -107.73 21.89 16.76 Favored 'General case' 0 CA--C 1.555 1.137 0 N-CA-C 121.723 3.971 . . . . 0.0 121.723 160.195 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.92 21.65 0.0 OUTLIER 'General case' 0 CA--C 1.558 1.273 0 N-CA-C 121.168 3.766 . . . . 0.0 121.168 -178.934 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 80.0 tttt 51.98 57.01 6.96 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 126.81 2.044 . . . . 0.0 111.776 -173.383 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.1 p90 -125.97 -137.77 0.27 Allowed 'General case' 0 CA--C 1.551 0.996 0 CA-C-N 113.876 -1.511 . . . . 0.0 111.651 -159.184 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -76.14 -52.94 9.05 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.998 1.319 . . . . 0.0 112.857 -177.189 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -89.69 69.48 7.72 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-O 123.986 1.85 . . . . 0.0 112.302 -172.844 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.52 -39.32 90.6 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 111.46 -2.609 . . . . 0.0 115.182 -178.987 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 46.4 ttp -67.84 -31.81 71.9 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 123.891 0.876 . . . . 0.0 112.735 175.666 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -80.11 -40.22 27.96 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.449 1.1 . . . . 0.0 112.825 177.554 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 46.0 tttp -49.08 -43.53 41.16 Favored 'General case' 0 CA--C 1.552 1.024 0 N-CA-C 114.61 1.337 . . . . 0.0 114.61 153.619 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -66.99 -25.59 66.39 Favored 'General case' 0 CA--C 1.56 1.329 0 O-C-N 119.493 -2.004 . . . . 0.0 112.859 171.73 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 56.7 m -62.64 -41.37 99.0 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 121.39 1.905 . . . . 0.0 114.51 161.436 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -48.08 -49.98 29.77 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 118.748 0.703 . . . . 0.0 110.654 162.115 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.318 4.1 m-30 -76.34 -17.87 59.19 Favored 'General case' 0 CA--C 1.551 1.018 0 N-CA-C 114.656 1.354 . . . . 0.0 114.656 -176.024 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -61.09 -45.36 95.02 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-N 119.992 1.269 . . . . 0.0 113.203 154.864 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.76 -45.42 94.89 Favored Glycine 0 CA--C 1.534 1.249 0 CA-C-O 119.284 -0.731 . . . . 0.0 114.217 171.809 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.59 -46.08 84.23 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 113.746 1.017 . . . . 0.0 113.746 173.7 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 23.3 t80 -77.49 73.97 4.06 Favored 'General case' 0 CA--C 1.552 1.022 0 CA-C-O 123.863 1.792 . . . . 0.0 111.123 172.4 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 21.0 ttt-85 -74.46 123.01 23.93 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 113.48 -1.691 . . . . 0.0 114.278 -178.4 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -148.52 -73.06 0.19 Allowed 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 115.709 1.744 . . . . 0.0 115.709 -175.196 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -67.06 0.33 2.69 Favored 'General case' 0 CA--C 1.553 1.063 0 N-CA-C 118.88 2.919 . . . . 0.0 118.88 -166.249 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -161.48 152.76 18.62 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 121.346 1.885 . . . . 0.0 112.809 173.905 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -69.01 -36.02 77.33 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 114.121 1.156 . . . . 0.0 114.121 168.311 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 12.1 t -113.33 137.34 51.64 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 123.1 2.682 . . . . 0.0 114.021 -177.099 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 84.2 m -63.71 -47.68 80.16 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 115.676 1.732 . . . . 0.0 115.676 -166.066 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.28 -28.11 61.05 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-O 117.811 -1.09 . . . . 0.0 113.827 -175.506 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.36 -45.48 69.26 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 121.528 1.967 . . . . 0.0 110.471 170.154 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.579 ' O ' HD12 ' A' ' 41' ' ' ILE . 34.0 ttt180 -53.61 -53.8 46.63 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.97 0.908 . . . . 0.0 111.261 171.14 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -85.9 6.13 29.79 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 116.994 2.22 . . . . 0.0 116.994 175.824 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.35 -32.2 64.39 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 119.519 -1.988 . . . . 0.0 112.663 149.073 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 63.4 mtt180 -67.95 -42.4 81.02 Favored 'General case' 0 CA--C 1.55 0.969 0 CA-C-N 118.988 0.813 . . . . 0.0 111.993 167.583 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.579 HD12 ' O ' ' A' ' 37' ' ' ARG 0.277 3.4 mp -76.81 85.17 0.79 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.913 0 CA-C-O 126.944 3.259 . . . . 0.0 113.538 170.467 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 60.0 mtpt -84.5 0.66 48.96 Favored 'General case' 0 CA--C 1.545 0.765 1 CA-C-N 107.549 -4.387 . . . . 0.0 116.631 -173.284 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 75.2 mt -63.36 -41.57 93.21 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.921 0 N-CA-C 114.719 1.377 . . . . 0.0 114.719 -163.698 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 177.78 168.5 37.47 Favored Glycine 0 CA--C 1.546 1.986 0 CA-C-N 120.801 1.637 . . . . 0.0 116.628 174.389 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_exo -51.86 -52.55 8.72 Favored 'Trans proline' 0 C--N 1.363 1.315 1 C-N-CA 125.323 4.015 . . . . 0.0 115.862 176.404 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 14.0 mmmt -54.98 -35.8 64.71 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.58 1.152 . . . . 0.0 113.717 171.274 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 45.1 t -67.17 -59.98 2.99 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 116.569 -1.681 . . . . 0.0 110.804 177.058 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -48.59 -43.39 13.36 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 CA-C-N 120.944 1.702 . . . . 0.0 115.512 171.14 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.7 mtpm? -60.18 -57.09 14.29 Favored 'General case' 0 CA--C 1.552 1.031 0 N-CA-C 115.256 1.576 . . . . 0.0 115.256 174.414 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.21 -46.84 72.57 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 124.033 0.933 . . . . 0.0 110.626 172.405 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.577 ' CE2' HD13 ' A' ' 41' ' ' ILE . 3.4 t80 -54.73 -54.36 42.88 Favored 'General case' 0 C--N 1.349 0.582 0 C-N-CA 124.734 1.214 . . . . 0.0 112.124 174.464 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 8.0 tptp -61.84 -40.91 96.98 Favored 'General case' 0 C--O 1.242 0.693 0 N-CA-C 114.235 1.198 . . . . 0.0 114.235 -176.742 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -71.77 -41.32 68.51 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 114.289 1.218 . . . . 0.0 114.289 175.242 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 4.6 m -61.92 -35.02 77.16 Favored 'General case' 0 CA--C 1.549 0.923 0 N-CA-C 114.509 1.3 . . . . 0.0 114.509 166.484 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 5.7 t -63.78 -34.91 78.96 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 120.884 1.675 . . . . 0.0 112.469 171.16 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -59.08 -52.22 66.69 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-O 116.481 -1.723 . . . . 0.0 113.298 164.123 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.417 1.8 pp -69.1 -27.14 34.01 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 CA-C-N 122.93 2.605 . . . . 0.0 115.065 175.998 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.3 -47.64 84.64 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.826 0.85 . . . . 0.0 112.484 168.565 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 53.9 m-80 -63.61 -35.73 81.46 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 171.023 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -62.01 -52.68 63.0 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-O 117.294 -1.336 . . . . 0.0 113.414 169.539 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 33.6 m -68.2 -24.63 30.18 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 CA-C-N 121.862 2.119 . . . . 0.0 114.151 176.608 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 15.8 ttp85 -65.56 -43.47 89.76 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 119.614 1.097 . . . . 0.0 112.721 166.614 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -80.71 -52.39 7.6 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 114.636 1.347 . . . . 0.0 114.636 175.116 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -79.52 66.47 4.99 Favored 'General case' 0 CA--C 1.549 0.912 0 CA-C-O 123.267 1.508 . . . . 0.0 112.816 -173.906 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -97.27 129.6 44.56 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.531 175.229 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . . . . . . . . 1 C--N 1.23 -4.602 0 CA-C-N 117.951 0.342 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 33.7 mmt . . . . . 0 CA--C 1.545 0.757 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 95.1 mt -80.09 40.72 0.49 Allowed 'General case' 0 CA--C 1.554 1.124 0 N-CA-C 114.852 1.427 . . . . 0.0 114.852 -173.67 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 19.6 mm100 -62.07 -43.49 98.73 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.855 1.262 . . . . 0.0 113.458 -170.823 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 22.7 tptp -61.53 -35.53 77.99 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.682 1.193 . . . . 0.0 113.061 174.555 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 22.0 mmtm -71.49 -39.78 70.65 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-O 117.202 -1.38 . . . . 0.0 113.949 175.814 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 5.2 mp -61.16 -44.98 99.41 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.178 0 CA-C-N 121.837 2.108 . . . . 0.0 110.358 167.107 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.3 tm-20 -57.83 -45.9 85.49 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-O 117.956 -1.021 . . . . 0.0 112.463 174.152 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -63.45 -44.88 93.22 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 122.257 2.299 . . . . 0.0 114.305 174.005 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.434 ' O ' ' HE1' ' A' ' 13' ' ' TYR . 7.0 mm-40 -73.18 -39.29 65.72 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 114.395 1.257 . . . . 0.0 114.395 177.221 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -106.12 43.42 1.14 Allowed 'General case' 0 CA--C 1.55 0.95 0 N-CA-C 119.692 3.219 . . . . 0.0 119.692 163.56 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.71 20.09 0.01 OUTLIER 'General case' 0 CA--C 1.557 1.234 0 N-CA-C 118.557 2.799 . . . . 0.0 118.557 168.141 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt 44.49 55.77 5.5 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 127.258 2.223 . . . . 0.0 113.97 -172.978 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.434 ' HE1' ' O ' ' A' ' 9' ' ' GLU . 1.7 p90 -122.25 -129.27 0.27 Allowed 'General case' 0 CA--C 1.551 0.998 0 CA-C-N 114.2 -1.363 . . . . 0.0 112.782 -156.157 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 34.0 mtpt -76.3 -52.76 9.32 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 120.404 -1.435 . . . . 0.0 112.555 -177.686 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 36.9 m-85 -89.94 72.39 7.47 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-O 123.546 1.641 . . . . 0.0 112.5 -167.72 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.96 -42.91 81.01 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 111.634 -2.53 . . . . 0.0 115.157 -178.178 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 34.8 ttm -68.81 -28.79 67.08 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.291 1.036 . . . . 0.0 112.651 176.027 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 45.3 mt -92.17 -35.4 13.87 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 121.164 -0.96 . . . . 0.0 111.788 -173.862 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.02 -30.04 68.89 Favored 'General case' 0 CA--C 1.552 1.024 0 O-C-N 119.785 -1.822 . . . . 0.0 114.328 153.341 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.3 tmtm? -65.73 -34.24 77.73 Favored 'General case' 0 CA--C 1.553 1.09 0 CA-C-N 122.632 2.469 . . . . 0.0 111.739 165.933 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 67.8 m -56.22 -41.01 74.96 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 121.471 1.942 . . . . 0.0 114.24 163.754 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -49.46 -53.2 24.29 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 118.618 0.644 . . . . 0.0 110.875 161.576 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.292 6.8 m-30 -74.29 -19.71 60.38 Favored 'General case' 0 CA--C 1.551 1.01 0 N-CA-C 114.783 1.401 . . . . 0.0 114.783 -174.903 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -61.11 -45.46 94.6 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.843 0.857 . . . . 0.0 112.582 157.02 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.24 -44.01 97.9 Favored Glycine 0 CA--C 1.534 1.262 0 C-N-CA 123.778 0.704 . . . . 0.0 114.77 171.269 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.03 -41.15 97.53 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 113.304 0.853 . . . . 0.0 113.304 173.948 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -71.56 76.02 0.8 Allowed 'General case' 0 CA--C 1.551 1.013 0 CA-C-O 123.568 1.651 . . . . 0.0 111.137 168.565 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -104.2 81.12 1.79 Allowed 'General case' 0 CA--C 1.544 0.72 0 CA-C-O 123.301 1.524 . . . . 0.0 110.401 173.248 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -125.56 -34.39 2.67 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 114.772 -1.103 . . . . 0.0 113.397 175.116 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.62 -67.56 0.37 Allowed 'General case' 0 CA--C 1.548 0.885 0 N-CA-C 115.537 1.68 . . . . 0.0 115.537 174.031 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -118.97 136.58 54.02 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 120.264 1.393 . . . . 0.0 111.643 177.663 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -60.54 -49.4 77.71 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 114.979 1.474 . . . . 0.0 114.979 176.322 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 25.6 m -81.25 109.52 15.86 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.498 0.719 . . . . 0.0 112.148 -175.52 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 66.8 m -56.04 -47.92 76.96 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.174 1.39 . . . . 0.0 114.711 -178.453 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -66.16 -31.05 71.67 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 113.814 1.042 . . . . 0.0 113.814 -178.397 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -66.66 -55.35 15.59 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 120.367 1.439 . . . . 0.0 110.546 175.777 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.633 ' O ' HD12 ' A' ' 41' ' ' ILE . 11.9 ptt180 -64.85 -39.26 93.27 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-O 118.249 -0.881 . . . . 0.0 111.824 177.352 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -84.58 1.47 45.82 Favored 'General case' 0 CA--C 1.548 0.882 0 N-CA-C 116.579 2.066 . . . . 0.0 116.579 172.986 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -72.95 -33.61 66.01 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 119.58 -1.95 . . . . 0.0 112.407 147.459 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 38.4 mtm105 -71.36 -40.44 70.63 Favored 'General case' 0 CA--C 1.553 1.089 0 N-CA-C 114.308 1.225 . . . . 0.0 114.308 168.165 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.633 HD12 ' O ' ' A' ' 37' ' ' ARG 0.293 3.3 mp -70.41 89.57 0.3 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.926 0 CA-C-O 126.464 3.031 . . . . 0.0 113.153 167.848 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -81.18 -17.33 50.09 Favored 'General case' 0 CA--C 1.542 0.647 1 CA-C-N 107.806 -4.27 . . . . 0.0 117.104 -174.804 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 69.2 mt -53.32 -41.29 43.29 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.94 0 N-CA-C 116.031 1.863 . . . . 0.0 116.031 -154.56 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -177.26 162.85 31.15 Favored Glycine 0 CA--C 1.544 1.882 0 CA-C-O 117.678 -1.623 . . . . 0.0 115.532 174.814 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_exo -52.31 -47.53 26.46 Favored 'Trans proline' 0 C--N 1.36 1.159 0 C-N-CA 125.202 3.934 . . . . 0.0 115.948 176.526 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 22.7 tptp -62.42 -34.3 76.48 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 124.989 1.316 . . . . 0.0 112.286 173.606 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 45.8 t -66.06 -59.01 4.21 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 117.736 -1.126 . . . . 0.0 111.41 174.144 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -53.21 -38.06 29.8 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 N-CA-C 115.248 1.573 . . . . 0.0 115.248 172.208 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.6 ttpp -62.42 -52.42 63.63 Favored 'General case' 0 CA--C 1.552 1.05 0 N-CA-C 114.279 1.214 . . . . 0.0 114.279 173.727 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.78 -48.6 69.63 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.637 1.175 . . . . 0.0 112.097 168.421 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.58 ' CE2' HD13 ' A' ' 41' ' ' ILE . 3.2 t80 -54.31 -53.57 52.0 Favored 'General case' 0 C--N 1.347 0.474 0 C-N-CA 124.763 1.225 . . . . 0.0 111.872 175.768 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.401 ' O ' ' HD1' ' A' ' 56' ' ' TYR . 12.6 mptt -60.5 -42.22 95.92 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 113.819 1.044 . . . . 0.0 113.819 178.333 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -61.57 -49.46 76.55 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 120.492 1.496 . . . . 0.0 113.574 175.308 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 16.4 m -65.36 -32.94 74.84 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 114.91 1.448 . . . . 0.0 114.91 171.828 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.04 -30.98 71.61 Favored 'General case' 0 CA--C 1.546 0.816 0 O-C-N 120.022 -1.674 . . . . 0.0 112.509 168.772 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.401 ' HD1' ' O ' ' A' ' 52' ' ' LYS . 22.6 m-85 -63.19 -43.4 98.29 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-O 115.727 -2.082 . . . . 0.0 113.753 163.759 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.473 2.2 pp -67.47 -29.46 45.62 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 CA-C-N 124.555 3.343 . . . . 0.0 114.796 169.451 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.69 -39.06 90.1 Favored 'General case' 0 CA--C 1.55 0.947 0 CA-C-N 120.229 1.377 . . . . 0.0 113.361 166.857 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 28.9 m-80 -67.73 -38.75 83.98 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 114.477 1.288 . . . . 0.0 114.477 166.782 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -61.0 -36.38 79.33 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 120.543 1.52 . . . . 0.0 113.239 169.147 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 91.1 t -64.36 -42.92 96.8 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.826 0 CA-C-N 120.729 1.604 . . . . 0.0 112.855 167.602 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 40.0 ttp180 -64.45 -44.37 91.32 Favored 'General case' 0 CA--C 1.55 0.945 0 N-CA-C 114.172 1.175 . . . . 0.0 114.172 172.796 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -98.05 -37.17 9.86 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 117.189 2.292 . . . . 0.0 117.189 -177.568 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -119.71 -51.66 2.26 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 122.386 2.357 . . . . 0.0 114.601 -166.053 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -104.02 -64.48 1.1 Allowed 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 114.281 1.215 . . . . 0.0 114.281 -168.156 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . . . . . . . . 1 C--N 1.233 -4.498 0 CA-C-N 119.801 1.182 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 34.2 ttm . . . . . 0 CA--C 1.548 0.889 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.508 ' O ' HD12 ' A' ' 6' ' ' ILE . 73.3 mt -72.15 -44.24 63.4 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.006 0.922 . . . . 0.0 112.663 -179.567 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.3 pm0 -62.03 -38.7 89.7 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.304 1.042 . . . . 0.0 113.053 176.446 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 58.6 tttm -58.53 -46.23 87.22 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.135 0.974 . . . . 0.0 111.05 168.533 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 33.1 mmtt -68.47 -34.29 75.67 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 116.647 2.092 . . . . 0.0 116.647 177.526 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.508 HD12 ' O ' ' A' ' 2' ' ' LEU . 4.6 mp -61.13 -48.68 87.89 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.259 0 CA-C-N 124.495 3.316 . . . . 0.0 109.92 165.057 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -56.84 -46.17 81.89 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 175.491 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -68.41 -43.97 76.06 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 120.497 1.499 . . . . 0.0 114.237 177.634 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.424 ' O ' ' HE1' ' A' ' 13' ' ' TYR . 65.7 mm-40 -78.67 -27.18 45.13 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 120.17 1.35 . . . . 0.0 113.446 176.374 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -104.9 25.4 10.51 Favored 'General case' 0 CA--C 1.553 1.067 0 N-CA-C 121.766 3.988 . . . . 0.0 121.766 162.669 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.23 17.56 0.0 OUTLIER 'General case' 0 CA--C 1.557 1.235 0 N-CA-C 120.823 3.638 . . . . 0.0 120.823 176.94 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? 51.18 56.23 8.29 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 126.812 2.045 . . . . 0.0 111.531 -173.831 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.424 ' HE1' ' O ' ' A' ' 9' ' ' GLU . 4.9 p90 -120.97 -141.44 0.34 Allowed 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 113.981 -1.463 . . . . 0.0 111.274 -159.64 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.1 tptp -76.34 -36.33 58.28 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 120.686 -1.259 . . . . 0.0 113.356 -176.271 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -106.74 72.36 0.9 Allowed 'General case' 0 CA--C 1.546 0.812 0 CA-C-O 124.425 2.06 . . . . 0.0 112.912 -175.012 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.67 -37.86 88.05 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 111.159 -2.746 . . . . 0.0 114.822 179.666 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.9 mpp? -67.17 -31.76 72.4 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 123.871 0.868 . . . . 0.0 113.114 175.146 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -78.73 -39.79 35.31 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.326 1.05 . . . . 0.0 112.671 176.634 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.2 tttt -51.56 -44.66 62.79 Favored 'General case' 0 CA--C 1.552 1.028 0 N-CA-C 114.943 1.46 . . . . 0.0 114.943 155.412 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.2 tmtm? -62.34 -31.3 71.91 Favored 'General case' 0 CA--C 1.552 1.03 0 O-C-N 119.725 -1.859 . . . . 0.0 111.825 170.759 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 12.8 t -63.01 -38.03 89.55 Favored 'General case' 0 CA--C 1.555 1.142 0 CA-C-N 120.896 1.68 . . . . 0.0 114.268 166.935 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.4 t -48.22 -51.99 22.96 Favored 'General case' 0 N--CA 1.481 1.102 0 CA-C-N 119.237 0.926 . . . . 0.0 110.476 159.933 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.296 5.9 m-30 -73.9 -22.97 59.51 Favored 'General case' 0 CA--C 1.55 0.965 0 N-CA-C 114.34 1.237 . . . . 0.0 114.34 -175.646 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -61.27 -35.17 76.57 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 113.509 0.929 . . . . 0.0 113.509 158.87 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.97 -41.98 53.48 Favored Glycine 0 CA--C 1.534 1.267 0 N-CA-C 115.372 0.909 . . . . 0.0 115.372 167.735 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.58 -40.95 96.47 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 114.22 1.193 . . . . 0.0 114.22 177.569 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -73.17 63.58 0.71 Allowed 'General case' 0 CA--C 1.55 0.953 0 CA-C-O 123.51 1.624 . . . . 0.0 113.366 172.757 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 64.4 ttt180 -100.41 127.8 46.65 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 114.296 -1.32 . . . . 0.0 111.177 177.313 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 17.2 m-80 -114.76 -112.21 0.34 Allowed 'General case' 0 CA--C 1.552 1.028 0 O-C-N 120.926 -1.109 . . . . 0.0 110.302 -178.924 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -76.19 31.12 0.12 Allowed 'General case' 0 CA--C 1.555 1.15 0 O-C-N 119.145 -2.222 . . . . 0.0 114.575 172.099 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -93.12 101.22 13.52 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 120.126 -1.608 . . . . 0.0 110.935 -171.997 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -64.34 -45.13 89.18 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 115.653 1.723 . . . . 0.0 115.653 -177.454 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 38.8 m -125.28 108.73 12.01 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 119.912 1.233 . . . . 0.0 111.773 -175.191 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 60.5 m -61.29 -44.27 97.5 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 114.635 1.346 . . . . 0.0 114.635 -176.868 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . 0.261 0.9 OUTLIER -73.89 -6.74 49.03 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 115.005 1.483 . . . . 0.0 115.005 178.941 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -78.69 -51.01 10.44 Favored 'General case' 0 CA--C 1.548 0.88 0 CA-C-N 121.277 1.853 . . . . 0.0 110.059 166.146 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.545 ' O ' HD12 ' A' ' 41' ' ' ILE . 45.4 ttt180 -55.94 -46.42 78.51 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 114.765 -1.107 . . . . 0.0 111.475 169.326 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . 0.258 . . -92.12 16.68 10.82 Favored 'General case' 0 CA--C 1.55 0.968 0 N-CA-C 116.964 2.209 . . . . 0.0 116.964 171.285 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -74.4 -38.97 62.96 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 118.939 -2.351 . . . . 0.0 112.152 140.31 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 78.3 mtt85 -68.23 -44.4 75.8 Favored 'General case' 0 CA--C 1.55 0.963 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 171.111 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.545 HD12 ' O ' ' A' ' 37' ' ' ARG . 3.4 mp -73.08 83.62 0.43 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.902 0 CA-C-O 127.055 3.312 . . . . 0.0 112.012 162.12 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 62.1 pttt -98.52 10.8 40.11 Favored 'General case' 0 CA--C 1.546 0.812 1 CA-C-N 107.45 -4.432 . . . . 0.0 115.635 -173.207 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 64.6 mt -66.46 -39.99 85.39 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.876 0 N-CA-C 114.087 1.143 . . . . 0.0 114.087 -165.656 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -173.96 166.81 39.09 Favored Glycine 0 CA--C 1.547 2.057 0 CA-C-N 120.69 1.586 . . . . 0.0 116.965 175.85 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_exo -53.69 -49.62 16.61 Favored 'Trans proline' 0 C--N 1.361 1.22 0 C-N-CA 125.248 3.965 . . . . 0.0 115.882 174.48 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.0 mtpp -59.62 -32.82 70.77 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 171.596 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 15.0 t -67.21 -61.04 2.11 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 116.899 -1.524 . . . . 0.0 109.905 176.375 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -49.74 -40.19 15.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 CA-C-N 121.066 1.757 . . . . 0.0 115.094 171.306 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -63.91 -55.25 24.01 Favored 'General case' 0 CA--C 1.548 0.885 0 CA-C-O 117.217 -1.373 . . . . 0.0 113.523 172.634 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.49 -47.08 63.34 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 120.979 1.718 . . . . 0.0 110.714 172.562 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.513 ' CE2' HD13 ' A' ' 41' ' ' ILE . 3.3 t80 -56.01 -54.71 41.58 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.112 1.365 . . . . 0.0 112.932 175.198 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 55.4 tptt -63.66 -36.83 85.13 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 118.979 0.808 . . . . 0.0 113.014 -179.666 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -65.28 -48.16 74.16 Favored 'General case' 0 CA--C 1.549 0.904 0 O-C-N 120.992 -1.067 . . . . 0.0 112.706 174.788 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 8.8 m -64.09 -31.24 72.36 Favored 'General case' 0 CA--C 1.55 0.957 0 N-CA-C 114.818 1.414 . . . . 0.0 114.818 169.938 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 53.2 t -58.16 -42.61 86.36 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 121.033 1.742 . . . . 0.0 112.395 163.786 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -58.41 -45.97 87.36 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-O 116.8 -1.571 . . . . 0.0 113.802 169.587 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.479 2.1 pp -69.81 -28.16 35.92 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 CA-C-N 123.015 2.643 . . . . 0.0 115.259 171.544 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.71 -39.85 86.0 Favored 'General case' 0 CA--C 1.551 0.999 0 CA-C-N 120.864 1.665 . . . . 0.0 113.274 167.218 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 -64.86 -41.72 95.45 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 113.647 0.98 . . . . 0.0 113.647 167.779 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 26.8 tp60 -62.48 -38.95 91.82 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 123.471 0.708 . . . . 0.0 112.905 174.528 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 78.6 t -61.79 -42.68 95.42 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.811 0 CA-C-N 118.858 0.753 . . . . 0.0 112.707 168.582 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 58.5 mtt85 -61.0 -36.29 79.1 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 114.619 1.34 . . . . 0.0 114.619 170.261 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.1 -58.44 3.56 Favored 'General case' 0 CA--C 1.546 0.821 0 CA-C-N 119.278 0.945 . . . . 0.0 113.29 169.544 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -81.81 68.52 8.22 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-O 123.238 1.494 . . . . 0.0 113.931 -177.164 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -93.58 130.23 39.55 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-N 114.762 -1.108 . . . . 0.0 113.585 172.026 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . . . . . . . . 1 C--N 1.23 -4.592 0 O-C-N 122.046 -0.409 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 33.6 mmt . . . . . 0 CA--C 1.547 0.85 0 N-CA-C 115.48 1.659 . . . . 0.0 115.48 . . . . . . . . . 0 0 . 1 . 041 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 11.3 mp -71.26 48.06 0.13 Allowed 'General case' 0 CA--C 1.559 1.327 0 N-CA-C 116.795 2.146 . . . . 0.0 116.795 -173.3 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -57.6 -53.13 61.61 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.055 1.342 . . . . 0.0 113.102 -174.466 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.6 -38.04 74.24 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.395 1.078 . . . . 0.0 113.498 -177.212 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.3 mtpm? -66.38 -49.81 65.61 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-O 118.428 -0.796 . . . . 0.0 112.698 175.419 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.7 mp -64.76 -40.13 88.0 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 CA-C-N 119.87 1.214 . . . . 0.0 110.944 173.1 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -57.43 -52.51 65.06 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-O 117.619 -1.181 . . . . 0.0 112.423 173.639 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.96 -16.04 63.14 Favored 'General case' 0 CA--C 1.55 0.96 0 CA-C-N 122.927 2.603 . . . . 0.0 115.262 177.152 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -89.97 -38.03 13.93 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 115.859 1.8 . . . . 0.0 115.859 166.503 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -105.82 26.12 10.01 Favored 'General case' 0 CA--C 1.553 1.06 1 N-CA-C 121.93 4.048 . . . . 0.0 121.93 169.296 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.56 27.07 0.0 OUTLIER 'General case' 0 CA--C 1.556 1.176 0 N-CA-C 120.542 3.534 . . . . 0.0 120.542 -177.21 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 98.9 mttt 51.33 47.45 24.82 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 126.65 1.98 . . . . 0.0 112.976 -174.803 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 5.0 p90 -117.54 -146.52 0.4 Allowed 'General case' 0 CA--C 1.549 0.92 0 CA-C-N 115.033 -0.985 . . . . 0.0 111.962 -156.401 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -72.02 -44.23 63.73 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.248 1.419 . . . . 0.0 112.125 -174.551 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -97.98 70.64 2.13 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-O 124.093 1.901 . . . . 0.0 112.691 -177.981 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.77 -35.06 75.48 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 111.377 -2.647 . . . . 0.0 114.014 176.165 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 47.4 mtm -66.6 -32.46 73.8 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.358 1.063 . . . . 0.0 113.139 173.865 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 47.1 mt -87.85 -35.99 17.46 Favored 'General case' 0 CA--C 1.542 0.643 0 O-C-N 121.67 -0.644 . . . . 0.0 111.295 -177.909 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 46.9 tttp -48.7 -43.26 36.96 Favored 'General case' 0 CA--C 1.553 1.088 0 N-CA-C 115.087 1.514 . . . . 0.0 115.087 150.303 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.58 -25.77 66.79 Favored 'General case' 0 CA--C 1.557 1.246 0 O-C-N 118.816 -2.428 . . . . 0.0 112.967 170.399 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 92.8 m -62.18 -40.33 95.66 Favored 'General case' 0 N--CA 1.478 0.929 0 O-C-N 119.555 -1.966 . . . . 0.0 114.226 161.04 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -49.45 -52.85 26.28 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 118.913 0.779 . . . . 0.0 110.807 162.521 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . 0.25 3.9 m-30 -73.06 -26.12 61.17 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 113.956 1.095 . . . . 0.0 113.956 -174.733 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.99 -36.74 75.4 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.503 1.121 . . . . 0.0 113.461 161.275 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -74.56 -39.36 41.69 Favored Glycine 0 CA--C 1.533 1.214 0 N-CA-C 115.7 1.04 . . . . 0.0 115.7 168.244 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.96 -41.95 97.43 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 114.493 1.294 . . . . 0.0 114.493 177.953 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 77.7 m-85 -73.72 70.37 1.38 Allowed 'General case' 0 CA--C 1.55 0.947 0 CA-C-O 123.032 1.396 . . . . 0.0 112.879 173.882 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.7 ttp180 -123.14 147.55 46.69 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-N 115.176 -0.92 . . . . 0.0 112.815 -179.644 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 21.7 m-80 -113.68 -134.17 0.35 Allowed 'General case' 0 CA--C 1.553 1.078 0 O-C-N 120.785 -1.197 . . . . 0.0 110.996 -178.629 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -70.66 5.12 2.02 Favored 'General case' 0 CA--C 1.548 0.897 0 O-C-N 119.39 -2.069 . . . . 0.0 115.794 166.431 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.4 p-10 -80.79 66.73 6.42 Favored 'General case' 0 CA--C 1.551 0.984 0 O-C-N 119.471 -2.018 . . . . 0.0 111.943 174.228 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -56.89 -16.87 7.6 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 116.311 1.967 . . . . 0.0 116.311 -177.474 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 17.8 p -82.11 70.59 9.06 Favored 'General case' 0 CA--C 1.543 0.684 0 O-C-N 119.802 -1.811 . . . . 0.0 112.48 -178.22 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 57.1 m -57.63 -44.1 85.32 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 113.09 -1.868 . . . . 0.0 114.342 -176.96 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 46.2 mp0 -70.07 -23.89 63.15 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 113.545 0.943 . . . . 0.0 113.545 177.61 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -71.57 -53.1 14.87 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 119.373 0.988 . . . . 0.0 110.859 170.866 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.596 ' O ' HD12 ' A' ' 41' ' ' ILE . 55.4 ttt180 -54.87 -48.73 72.58 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 114.516 -1.22 . . . . 0.0 111.309 171.761 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -89.48 11.22 20.01 Favored 'General case' 0 CA--C 1.552 1.045 0 N-CA-C 117.082 2.253 . . . . 0.0 117.082 174.432 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.8 -38.94 64.44 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 119.149 -2.219 . . . . 0.0 111.802 145.783 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 34.0 mtp180 -66.81 -43.6 83.4 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 113.061 0.763 . . . . 0.0 113.061 169.6 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.596 HD12 ' O ' ' A' ' 37' ' ' ARG . 3.5 mp -75.47 82.5 0.61 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.844 0 CA-C-O 127.093 3.33 . . . . 0.0 112.52 164.104 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.42 22.81 11.1 Favored 'General case' 0 CA--C 1.548 0.891 1 CA-C-N 107.673 -4.33 . . . . 0.0 114.883 -174.39 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 46.6 mm -71.41 -44.24 72.01 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 O-C-N 121.15 -0.969 . . . . 0.0 113.467 -169.344 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -173.05 164.03 35.89 Favored Glycine 0 CA--C 1.545 1.95 0 CA-C-O 118.051 -1.416 . . . . 0.0 116.038 176.916 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_exo -52.95 -50.68 13.22 Favored 'Trans proline' 0 C--N 1.361 1.223 0 C-N-CA 125.238 3.958 . . . . 0.0 116.395 178.35 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 38.5 tttm -68.87 -25.04 64.42 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 123.267 0.627 . . . . 0.0 111.83 175.938 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 43.9 t -65.54 -60.0 3.39 Favored 'General case' 0 C--N 1.349 0.58 0 CA-C-O 117.707 -1.14 . . . . 0.0 111.11 171.097 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -50.52 -41.05 19.6 Favored 'Isoleucine or valine' 0 C--N 1.352 0.694 0 N-CA-C 114.678 1.362 . . . . 0.0 114.678 170.291 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.09 -47.87 75.7 Favored 'General case' 0 CA--C 1.554 1.115 0 N-CA-C 115.278 1.585 . . . . 0.0 115.278 174.318 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.33 -46.43 79.92 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 120.519 1.509 . . . . 0.0 111.067 168.206 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.563 ' CE2' HD13 ' A' ' 41' ' ' ILE . 3.4 t80 -54.63 -52.38 62.45 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.923 1.289 . . . . 0.0 112.489 174.838 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -61.66 -41.59 97.74 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 113.288 0.847 . . . . 0.0 113.288 178.864 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -61.19 -47.73 84.78 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 114.183 1.179 . . . . 0.0 114.183 172.082 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 18.1 m -66.42 -29.58 69.76 Favored 'General case' 0 CA--C 1.552 1.026 0 N-CA-C 115.862 1.801 . . . . 0.0 115.862 170.991 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 35.8 t -57.69 -43.03 84.84 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 121.539 1.972 . . . . 0.0 112.017 162.903 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -58.35 -45.64 87.8 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 115.585 -2.15 . . . . 0.0 113.254 168.96 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.504 1.9 pp -70.85 -26.75 28.44 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 CA-C-N 124.403 3.274 . . . . 0.0 115.706 171.302 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.86 -50.6 70.16 Favored 'General case' 0 CA--C 1.548 0.873 0 CA-C-N 122.199 2.272 . . . . 0.0 112.159 167.141 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 71.3 m-80 -66.66 -38.57 87.12 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 173.628 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -67.85 -44.28 77.52 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-O 116.158 -1.877 . . . . 0.0 114.284 171.167 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.8 p -66.36 -25.91 36.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 CA-C-N 123.836 3.016 . . . . 0.0 112.752 176.806 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 44.7 ttt180 -62.13 -32.25 72.81 Favored 'General case' 0 CA--C 1.552 1.053 0 O-C-N 121.319 -0.863 . . . . 0.0 113.244 165.835 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -95.29 -45.92 6.95 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 114.273 1.212 . . . . 0.0 114.273 175.821 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -73.92 60.42 0.74 Allowed 'General case' 0 CA--C 1.553 1.093 0 O-C-N 120.354 -1.466 . . . . 0.0 113.468 -177.591 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -142.37 144.62 33.24 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 114.498 1.296 . . . . 0.0 114.498 179.056 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . . . . . . . . 1 C--N 1.231 -4.581 0 O-C-N 122.009 -0.432 . . . . 0.0 . . . . . . . . . . 1 1 . 1 stop_ save_