data_1dgv_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 1dgv _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 full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.9 m . . . . . 0 N--CA 1.486 1.37 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 40.3 tptt -72.6 -31.05 64.89 Favored 'General case' 0 CA--C 1.578 2.044 0 N-CA-C 116.696 2.11 . . . . 0.0 116.696 -178.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.95 153.83 17.48 Favored 'General case' 0 CA--C 1.573 1.848 0 N-CA-C 114.638 1.347 . . . . 0.0 114.638 177.481 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 88.0 mt -103.86 74.72 1.24 Allowed 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.24 -0.912 . . . . 0.0 111.109 168.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.5 tt -148.79 -59.99 0.23 Allowed 'General case' 0 N--CA 1.498 1.964 0 O-C-N 120.875 -1.14 . . . . 0.0 112.988 -175.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -84.37 90.22 7.54 Favored 'General case' 0 CA--C 1.568 1.648 0 N-CA-C 115.941 1.83 . . . . 0.0 115.941 -161.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 56.11 61.45 2.74 Favored 'General case' 0 N--CA 1.5 2.048 0 N-CA-C 117.22 2.304 . . . . 0.0 117.22 166.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 58.2 m-85 -87.68 91.11 8.63 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.892 -1.13 . . . . 0.0 111.836 -178.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -75.47 89.29 2.67 Favored 'General case' 0 CA--C 1.57 1.744 0 CA-C-O 122.508 1.147 . . . . 0.0 111.953 176.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -133.49 80.69 1.89 Allowed 'General case' 0 N--CA 1.487 1.418 0 CA-C-N 115.342 -0.844 . . . . 0.0 110.796 -172.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 93.4 mt -76.17 90.59 3.11 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.279 -0.888 . . . . 0.0 109.759 167.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.5 p -140.94 153.28 45.56 Favored 'General case' 0 N--CA 1.495 1.806 0 CA-C-O 122.409 1.099 . . . . 0.0 112.788 -153.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -84.63 33.98 0.53 Allowed 'General case' 0 CA--C 1.584 2.284 0 N-CA-C 115.246 1.573 . . . . 0.0 115.246 177.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -121.91 125.77 47.14 Favored 'General case' 0 CA--C 1.567 1.628 0 O-C-N 120.719 -1.238 . . . . 0.0 109.88 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 80.8 p -73.68 169.92 16.32 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.036 -1.04 . . . . 0.0 113.442 170.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -49.24 -42.83 41.85 Favored 'General case' 0 N--CA 1.502 2.14 0 N-CA-C 117.839 2.533 . . . . 0.0 117.839 -178.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 38.7 tp60 -72.06 -40.5 68.27 Favored 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 115.995 1.85 . . . . 0.0 115.995 171.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -55.39 -44.89 76.54 Favored 'General case' 0 N--CA 1.5 2.057 0 N-CA-C 115.325 1.602 . . . . 0.0 115.325 168.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 65.9 mt -54.6 -51.29 52.13 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.003 0 C-N-CA 124.313 1.045 . . . . 0.0 113.538 165.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 37.1 tp -59.26 -45.89 89.98 Favored 'General case' 0 CA--C 1.573 1.85 0 N-CA-C 115.715 1.746 . . . . 0.0 115.715 174.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 91.0 mt -57.56 -52.51 65.12 Favored 'General case' 0 N--CA 1.496 1.864 0 N-CA-C 114.851 1.426 . . . . 0.0 114.851 167.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.93 -40.52 66.83 Favored 'General case' 0 CA--C 1.57 1.748 0 N-CA-C 117.099 2.259 . . . . 0.0 117.099 167.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 25.3 t-80 -57.56 -48.32 79.66 Favored 'General case' 0 N--CA 1.492 1.638 0 N-CA-C 114.794 1.405 . . . . 0.0 114.794 165.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -53.57 -45.64 70.02 Favored 'General case' 0 CA--C 1.576 1.946 0 N-CA-C 115.714 1.746 . . . . 0.0 115.714 168.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.19 -52.0 67.09 Favored 'General case' 0 N--CA 1.496 1.833 0 N-CA-C 114.979 1.474 . . . . 0.0 114.979 166.513 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -52.78 -41.97 64.6 Favored 'General case' 0 CA--C 1.574 1.88 0 N-CA-C 117.247 2.314 . . . . 0.0 117.247 166.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 58.4 m -62.01 -44.11 97.41 Favored 'General case' 0 CA--C 1.568 1.637 0 N-CA-C 116.289 1.959 . . . . 0.0 116.289 169.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -59.27 -44.34 92.46 Favored 'General case' 0 N--CA 1.502 2.14 0 CA-C-N 120.79 1.632 . . . . 0.0 115.25 164.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.9 mp -58.98 -35.2 72.79 Favored 'General case' 0 CA--C 1.569 1.682 0 N-CA-C 116.538 2.051 . . . . 0.0 116.538 167.033 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.3 mt -60.64 -51.26 81.04 Favored Pre-proline 0 CA--C 1.583 2.249 0 N-CA-C 119.868 3.284 . . . . 0.0 119.868 -174.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -96.76 93.94 0.08 OUTLIER 'Trans proline' 0 CA--C 1.57 2.294 0 CA-C-N 124.054 2.484 . . . . 0.0 117.496 -161.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -142.91 -55.91 0.42 Allowed 'General case' 0 N--CA 1.499 1.988 0 O-C-N 120.992 -1.067 . . . . 0.0 110.681 160.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -66.29 -47.74 72.67 Favored 'General case' 0 CA--C 1.578 2.022 0 O-C-N 121.042 -1.036 . . . . 0.0 113.596 168.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -94.02 80.52 4.1 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.562 -1.336 . . . . 0.0 111.822 153.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 31.4 tpt180 -67.48 -69.72 0.3 Allowed 'General case' 0 N--CA 1.498 1.972 0 O-C-N 120.005 -1.684 . . . . 0.0 115.201 -174.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 27.6 t -91.74 -56.18 3.2 Favored 'General case' 0 N--CA 1.495 1.795 0 N-CA-C 114.31 1.226 . . . . 0.0 114.31 177.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 16.3 m -79.43 105.22 8.5 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 O-C-N 120.912 -1.117 . . . . 0.0 111.617 178.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -82.9 81.68 8.5 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.082 -1.011 . . . . 0.0 111.789 -179.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 94.2 p -99.9 -48.69 4.59 Favored 'General case' 0 N--CA 1.494 1.766 0 N-CA-C 116.012 1.856 . . . . 0.0 116.012 -172.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 89.1 p -85.44 77.95 9.81 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.802 -1.187 . . . . 0.0 113.541 -177.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.9 mp -72.46 -67.41 0.55 Allowed 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 114.532 1.308 . . . . 0.0 114.532 -172.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 94.8 mtt-85 -79.1 66.61 4.59 Favored 'General case' 0 N--CA 1.504 2.238 0 CA-C-N 121.014 1.734 . . . . 0.0 112.809 174.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -172.21 -61.1 0.02 OUTLIER 'General case' 0 CA--C 1.564 1.495 0 C-N-CA 125.982 1.713 . . . . 0.0 109.235 -168.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -86.98 133.88 33.54 Favored 'General case' 0 CA--C 1.572 1.804 0 O-C-N 120.764 -1.21 . . . . 0.0 110.684 167.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 30.4 t -93.07 128.52 42.9 Favored Pre-proline 0 CA--C 1.58 2.105 1 O-C-N 114.336 -5.227 . . . . 0.0 113.897 38.246 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -90.19 169.12 4.27 Favored 'Trans proline' 0 CA--C 1.568 2.219 0 C-N-CA 122.782 2.321 . . . . 0.0 115.694 174.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . 0.26 20.3 p90 -56.24 -34.78 66.68 Favored 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 117.982 2.586 . . . . 0.0 117.982 167.42 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -53.01 -43.59 66.63 Favored 'General case' 0 N--CA 1.504 2.261 0 N-CA-C 116.248 1.944 . . . . 0.0 116.248 163.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 40.6 tp60 -73.45 -37.83 65.69 Favored 'General case' 0 CA--C 1.575 1.939 0 N-CA-C 116.297 1.962 . . . . 0.0 116.297 174.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 24.2 mm -60.62 -52.13 65.12 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.202 0 C-N-CA 124.222 1.009 . . . . 0.0 113.226 163.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.9 tt -56.8 -16.61 6.9 Favored 'General case' 0 CA--C 1.578 2.034 0 N-CA-C 117.773 2.508 . . . . 0.0 117.773 167.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.7 t -60.48 -29.89 69.34 Favored 'General case' 0 CA--C 1.572 1.821 0 N-CA-C 118.685 2.846 . . . . 0.0 118.685 176.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -95.87 145.87 30.32 Favored Pre-proline 0 CA--C 1.589 2.462 0 N-CA-C 115.643 1.72 . . . . 0.0 115.643 -174.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_exo -38.44 -60.8 0.43 Allowed 'Trans proline' 0 C--N 1.379 2.15 1 N-CA-C 124.237 4.668 . . . . 0.0 124.237 -169.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -82.21 19.82 1.13 Allowed 'General case' 0 N--CA 1.504 2.272 0 N-CA-C 116.587 2.069 . . . . 0.0 116.587 -177.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.0 mp -110.04 55.61 0.64 Allowed 'General case' 0 CA--C 1.576 1.976 0 O-C-N 120.145 -1.597 . . . . 0.0 110.568 174.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -131.51 -76.74 0.52 Allowed 'General case' 0 N--CA 1.495 1.804 0 C-N-CA 123.929 0.892 . . . . 0.0 108.964 -169.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -85.73 50.77 2.03 Favored 'General case' 0 CA--C 1.573 1.859 0 N-CA-C 114.2 1.185 . . . . 0.0 114.2 162.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -109.08 95.47 17.81 Favored Pre-proline 0 CA--C 1.568 1.668 0 N-CA-C 105.424 -2.065 . . . . 0.0 105.424 161.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -59.38 -20.87 58.25 Favored 'Trans proline' 0 CA--C 1.566 2.081 0 N-CA-C 118.411 2.427 . . . . 0.0 118.411 -174.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -88.5 2.7 52.37 Favored 'General case' 0 CA--C 1.568 1.639 0 N-CA-C 116.438 2.014 . . . . 0.0 116.438 173.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . 0.304 16.3 mmtt -63.51 -42.08 98.49 Favored 'General case' 0 N--CA 1.502 2.129 0 CA-C-N 124.132 3.151 . . . . 0.0 117.593 -178.562 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -64.72 -36.46 84.36 Favored 'General case' 0 N--CA 1.498 1.963 0 N-CA-C 115.774 1.768 . . . . 0.0 115.774 164.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -63.49 -47.66 80.85 Favored 'General case' 0 N--CA 1.498 1.974 0 N-CA-C 114.534 1.309 . . . . 0.0 114.534 170.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . 0.342 56.9 mt -47.89 -60.78 0.57 Allowed 'Isoleucine or valine' 0 CA--C 1.582 2.176 0 C-N-CA 125.944 1.698 . . . . 0.0 112.708 165.041 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 33.8 t -44.5 -45.09 9.05 Favored 'General case' 0 N--CA 1.501 2.089 0 N-CA-C 119.836 3.273 . . . . 0.0 119.836 165.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -66.2 -42.47 88.76 Favored 'General case' 0 N--CA 1.494 1.745 0 N-CA-C 116.43 2.011 . . . . 0.0 116.43 173.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 40.1 t -66.06 -40.97 88.68 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.118 0 CA-C-N 119.39 0.996 . . . . 0.0 113.467 169.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.493 ' CG ' HD21 ' A' ' 86' ' ' LEU . 17.0 m-30 -48.32 -54.98 11.86 Favored 'General case' 0 CA--C 1.574 1.886 0 N-CA-C 117.173 2.286 . . . . 0.0 117.173 169.544 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 32.5 t -126.74 -68.33 0.81 Allowed 'General case' 0 CA--C 1.561 1.38 0 C-N-CA 124.037 0.935 . . . . 0.0 109.361 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 23.9 m -96.93 -80.81 0.43 Allowed 'General case' 0 N--CA 1.494 1.773 1 O-C-N 114.1 -5.375 . . . . 0.0 109.229 -74.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . 0.657 94.1 p 89.07 -86.83 0.0 OUTLIER Pre-proline 0 CA--C 1.584 2.268 0 CA-C-O 115.643 -2.123 . . . . 0.0 114.376 -167.396 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -75.49 167.94 25.52 Favored 'Trans proline' 0 CA--C 1.572 2.424 0 CA-C-N 126.457 3.342 . . . . 0.0 116.538 176.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.02 127.97 34.12 Favored 'General case' 0 CA--C 1.57 1.718 0 O-C-N 120.662 -1.274 . . . . 0.0 114.217 175.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . 0.366 12.3 mptt 74.57 -37.18 0.35 Allowed 'General case' 0 N--CA 1.503 2.202 0 N-CA-C 117.277 2.325 . . . . 0.0 117.277 179.488 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -73.24 94.05 1.95 Allowed 'General case' 0 CA--C 1.577 1.994 0 CA-C-N 120.55 1.523 . . . . 0.0 110.957 164.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 30.2 t -138.34 -119.42 0.14 Allowed 'General case' 0 CA--C 1.57 1.72 0 CA-C-O 118.55 -0.738 . . . . 0.0 112.417 -160.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . 0.28 0.5 OUTLIER -83.71 90.44 7.3 Favored 'General case' 0 N--CA 1.491 1.617 0 CA-C-N 121.343 1.883 . . . . 0.0 113.839 -164.829 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 59.5 p -66.35 165.43 14.14 Favored 'General case' 0 CA--C 1.57 1.714 0 N-CA-C 114.521 1.304 . . . . 0.0 114.521 166.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . 0.265 43.0 t80 -60.78 -36.66 79.54 Favored 'General case' 0 N--CA 1.504 2.259 0 N-CA-C 117.191 2.293 . . . . 0.0 117.191 -178.416 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -55.27 -52.13 64.4 Favored 'General case' 0 N--CA 1.495 1.777 0 N-CA-C 115.036 1.495 . . . . 0.0 115.036 167.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -51.79 -51.89 53.0 Favored 'General case' 0 CA--C 1.571 1.762 0 N-CA-C 113.899 1.074 . . . . 0.0 113.899 161.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.405 ' HA ' ' CD2' ' A' ' 86' ' ' LEU 0.31 17.3 t80 -46.38 -41.57 13.77 Favored 'General case' 0 N--CA 1.499 1.979 0 N-CA-C 119.118 3.007 . . . . 0.0 119.118 172.085 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 97.4 mt -74.99 -53.4 9.01 Favored 'General case' 0 CA--C 1.565 1.543 0 N-CA-C 114.327 1.232 . . . . 0.0 114.327 169.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 -51.37 -41.72 60.85 Favored 'General case' 0 N--CA 1.498 1.926 0 N-CA-C 116.308 1.966 . . . . 0.0 116.308 177.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.493 HD21 ' CG ' ' A' ' 69' ' ' PHE . 3.6 pp -57.12 -56.52 20.76 Favored 'General case' 0 N--CA 1.496 1.862 0 N-CA-C 117.55 2.426 . . . . 0.0 117.55 169.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.0 tt -71.71 -35.03 70.08 Favored 'General case' 0 N--CA 1.49 1.566 0 C-N-CA 124.754 1.222 . . . . 0.0 112.989 -176.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 33.2 t -42.57 -38.27 1.93 Allowed 'General case' 0 CA--C 1.566 1.59 0 N-CA-C 118.483 2.771 . . . . 0.0 118.483 155.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 49.7 t -59.78 -46.06 94.01 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.174 0 CA-C-N 120.346 1.43 . . . . 0.0 113.99 167.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -82.42 -5.17 58.49 Favored 'General case' 0 CA--C 1.578 2.044 0 N-CA-C 116.907 2.188 . . . . 0.0 116.907 173.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 27.3 t -62.82 133.16 54.32 Favored 'General case' 0 CA--C 1.562 1.42 0 O-C-N 119.768 -1.832 . . . . 0.0 112.771 -179.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -79.88 84.38 5.66 Favored 'General case' 0 CA--C 1.573 1.833 0 CA-C-O 122.047 0.927 . . . . 0.0 111.64 -170.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 54.3 m 157.69 -50.38 0.0 OUTLIER 'General case' 0 N--CA 1.509 2.517 0 C-N-CA 126.33 1.852 . . . . 0.0 107.97 -145.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.01 157.65 21.4 Favored 'General case' 0 CA--C 1.565 1.539 0 N-CA-C 116.887 2.18 . . . . 0.0 116.887 176.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 66.5 p -76.97 147.92 77.96 Favored Pre-proline 0 CA--C 1.574 1.894 0 N-CA-C 114.877 1.436 . . . . 0.0 114.877 -167.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -56.79 -32.37 91.33 Favored 'Trans proline' 0 CA--C 1.566 2.109 0 N-CA-C 118.45 2.442 . . . . 0.0 118.45 170.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -60.88 -51.98 67.0 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 114.712 1.375 . . . . 0.0 114.712 171.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . 0.318 7.5 tt -56.93 -37.12 52.76 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.375 0 CA-C-N 121.738 2.063 . . . . 0.0 116.097 172.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -64.11 -48.19 77.08 Favored 'General case' 0 CA--C 1.577 2.002 0 N-CA-C 115.418 1.636 . . . . 0.0 115.418 168.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 9.5 t -58.88 -40.4 84.29 Favored 'General case' 0 CA--C 1.576 1.964 0 N-CA-C 116.936 2.198 . . . . 0.0 116.936 165.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 41.7 m-70 -53.4 -48.52 68.6 Favored 'General case' 0 N--CA 1.502 2.134 0 N-CA-C 114.699 1.37 . . . . 0.0 114.699 163.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -59.55 -47.5 85.31 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 115.216 1.562 . . . . 0.0 115.216 170.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -51.33 -46.48 62.63 Favored 'General case' 0 CA--C 1.571 1.751 0 N-CA-C 116.196 1.924 . . . . 0.0 116.196 166.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -47.19 -54.48 10.6 Favored 'General case' 0 N--CA 1.498 1.94 0 N-CA-C 117.638 2.459 . . . . 0.0 117.638 161.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 90.2 mtt180 -65.08 -23.3 67.13 Favored 'General case' 0 CA--C 1.573 1.838 0 N-CA-C 116.023 1.86 . . . . 0.0 116.023 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 46.7 mm -63.76 -48.9 84.4 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.089 0 CA-C-N 120.39 1.45 . . . . 0.0 114.173 163.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -74.72 -36.97 62.69 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 115.968 1.84 . . . . 0.0 115.968 175.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -79.75 81.49 6.0 Favored 'General case' 0 CA--C 1.571 1.764 0 O-C-N 120.709 -1.244 . . . . 0.0 111.121 169.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . 0.253 49.6 p90 -78.52 -50.85 10.87 Favored 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 116.925 2.194 . . . . 0.0 116.925 -169.186 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -88.49 66.83 8.39 Favored 'General case' 0 CA--C 1.573 1.828 0 O-C-N 120.823 -1.173 . . . . 0.0 113.685 -175.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . 0.25 20.1 m-20 69.83 -39.26 0.43 Allowed 'General case' 0 N--CA 1.505 2.31 0 N-CA-C 119.562 3.171 . . . . 0.0 119.562 165.511 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -70.56 -60.07 2.47 Favored 'General case' 0 CA--C 1.572 1.824 0 N-CA-C 117.384 2.364 . . . . 0.0 117.384 -158.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 129.73 -45.72 1.12 Allowed Glycine 0 N--CA 1.499 2.844 0 N-CA-C 116.388 1.315 . . . . 0.0 116.388 -162.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 71.7 p -87.42 95.92 10.19 Favored 'General case' 0 N--CA 1.492 1.675 0 CA-C-N 117.996 0.898 . . . . 0.0 111.199 -176.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.12 163.69 13.86 Favored 'General case' 0 CA--C 1.568 1.673 0 CA-C-O 122.002 0.906 . . . . 0.0 112.385 167.741 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 56.6 t-20 -67.94 139.95 56.42 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.019 -1.676 . . . . 0.0 111.763 173.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 39.3 ptt180 -39.93 -37.67 0.6 Allowed 'General case' 0 N--CA 1.498 1.953 0 N-CA-C 119.047 2.981 . . . . 0.0 119.047 165.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -58.61 -54.37 47.83 Favored 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 113.727 1.01 . . . . 0.0 113.727 167.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -54.51 -40.07 68.21 Favored 'General case' 0 N--CA 1.497 1.886 0 N-CA-C 115.974 1.842 . . . . 0.0 115.974 166.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 6.2 tt -58.64 -53.76 54.73 Favored 'General case' 0 N--CA 1.498 1.934 0 N-CA-C 116.07 1.878 . . . . 0.0 116.07 166.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 21.1 t -60.54 -40.98 93.51 Favored 'General case' 0 CA--C 1.568 1.64 0 O-C-N 120.452 -1.405 . . . . 0.0 114.75 172.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -58.98 -42.48 90.08 Favored 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 115.152 1.538 . . . . 0.0 115.152 165.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . 0.251 1.6 tt -53.42 -51.68 61.84 Favored 'General case' 0 N--CA 1.496 1.868 0 CA-C-N 120.996 1.725 . . . . 0.0 115.289 168.644 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 21.9 t -63.33 -40.65 89.82 Favored 'Isoleucine or valine' 0 CA--C 1.576 1.954 0 CA-C-O 118.014 -0.993 . . . . 0.0 112.801 173.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -74.08 -45.2 50.77 Favored 'General case' 0 N--CA 1.495 1.789 0 N-CA-C 117.113 2.264 . . . . 0.0 117.113 174.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 35.8 t -54.89 -26.17 33.95 Favored 'General case' 0 CA--C 1.576 1.95 0 N-CA-C 116.119 1.896 . . . . 0.0 116.119 167.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 94.8 mt -71.97 -67.38 0.54 Allowed 'General case' 0 CA--C 1.586 2.343 0 N-CA-C 115.167 1.543 . . . . 0.0 115.167 150.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . 0.271 1.4 t -75.53 89.53 2.71 Favored 'General case' 0 N--CA 1.503 2.2 0 CA-C-N 121.193 1.815 . . . . 0.0 113.111 -179.343 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 156.51 -62.9 0.33 Allowed Glycine 0 N--CA 1.49 2.252 0 N-CA-C 110.708 -0.957 . . . . 0.0 110.708 -148.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -59.66 -48.62 80.95 Favored 'General case' 0 CA--C 1.576 1.958 0 N-CA-C 115.101 1.519 . . . . 0.0 115.101 156.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -85.6 64.8 4.07 Favored Glycine 0 N--CA 1.495 2.58 0 N-CA-C 117.708 1.843 . . . . 0.0 117.708 -178.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 57.55 66.37 1.15 Allowed 'General case' 0 N--CA 1.499 1.982 0 N-CA-C 116.841 2.163 . . . . 0.0 116.841 171.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -118.0 105.39 11.83 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.177 -0.952 . . . . 0.0 110.853 178.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 10.5 t -73.59 174.25 8.57 Favored 'General case' 0 N--CA 1.499 1.991 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 162.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -55.24 -42.84 73.98 Favored 'General case' 0 N--CA 1.502 2.174 0 N-CA-C 116.851 2.167 . . . . 0.0 116.851 179.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 92.8 mt -64.26 -41.61 96.86 Favored 'General case' 0 N--CA 1.497 1.919 0 N-CA-C 115.904 1.816 . . . . 0.0 115.904 168.307 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 48.7 m -62.54 -46.41 88.51 Favored 'General case' 0 N--CA 1.497 1.893 0 N-CA-C 115.83 1.789 . . . . 0.0 115.83 169.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -58.23 -46.09 86.54 Favored 'General case' 0 CA--C 1.569 1.709 0 N-CA-C 116.594 2.072 . . . . 0.0 116.594 168.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 17.8 t -58.52 -51.83 68.23 Favored 'General case' 0 N--CA 1.497 1.884 0 N-CA-C 115.465 1.654 . . . . 0.0 115.465 167.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -53.35 -49.0 68.04 Favored 'General case' 0 CA--C 1.573 1.86 0 N-CA-C 116.292 1.96 . . . . 0.0 116.292 171.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 67.2 mtt -70.06 -33.55 72.08 Favored 'General case' 0 CA--C 1.571 1.779 0 N-CA-C 116.161 1.912 . . . . 0.0 116.161 173.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -67.55 -38.25 83.89 Favored 'General case' 0 N--CA 1.5 2.072 0 N-CA-C 115.972 1.842 . . . . 0.0 115.972 166.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -58.32 -39.01 78.27 Favored 'General case' 0 CA--C 1.58 2.106 0 N-CA-C 116.009 1.855 . . . . 0.0 116.009 161.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 4.7 tt -59.86 -48.73 80.5 Favored 'General case' 0 CA--C 1.575 1.929 0 N-CA-C 114.136 1.161 . . . . 0.0 114.136 164.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 58.6 mt -54.43 -42.74 60.15 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.381 0 N-CA-C 114.179 1.177 . . . . 0.0 114.179 169.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -52.7 -41.93 64.34 Favored 'General case' 0 N--CA 1.499 1.992 0 N-CA-C 116.112 1.893 . . . . 0.0 116.112 170.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 69.0 m-80 -68.31 -41.73 80.45 Favored 'General case' 0 N--CA 1.493 1.705 0 N-CA-C 115.348 1.61 . . . . 0.0 115.348 168.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 2.9 mm -62.04 -33.76 59.92 Favored 'Isoleucine or valine' 0 CA--C 1.584 2.282 0 CA-C-N 119.779 1.172 . . . . 0.0 113.98 169.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 77.3 mt -65.18 -30.34 71.24 Favored 'General case' 0 CA--C 1.572 1.818 0 N-CA-C 116.955 2.205 . . . . 0.0 116.955 166.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -58.63 -56.83 17.1 Favored 'General case' 0 N--CA 1.495 1.811 0 CA-C-N 120.42 1.464 . . . . 0.0 114.817 174.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -88.98 -37.8 14.93 Favored 'General case' 0 N--CA 1.497 1.889 0 N-CA-C 115.02 1.489 . . . . 0.0 115.02 -170.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 28.9 t -74.38 78.18 1.88 Allowed 'General case' 0 CA--C 1.574 1.868 0 O-C-N 120.346 -1.472 . . . . 0.0 110.409 149.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -63.41 110.8 2.05 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 115.115 1.524 . . . . 0.0 115.115 -155.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . 0.266 1.9 tp -83.26 -35.35 11.82 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.84 0 N-CA-C 116.458 2.021 . . . . 0.0 116.458 -176.713 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -82.68 127.07 33.05 Favored 'General case' 0 CA--C 1.568 1.64 0 O-C-N 120.823 -1.173 . . . . 0.0 110.85 172.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . 0.365 65.1 ttt180 97.42 -53.15 0.01 OUTLIER 'General case' 0 N--CA 1.505 2.276 0 C-N-CA 125.169 1.387 . . . . 0.0 112.43 -154.223 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -72.14 -63.92 1.05 Allowed 'General case' 0 CA--C 1.579 2.058 0 N-CA-C 115.42 1.637 . . . . 0.0 115.42 177.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 79.04 -74.73 2.14 Favored Glycine 0 N--CA 1.495 2.571 0 N-CA-C 116.429 1.331 . . . . 0.0 116.429 -173.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 6.6 t -92.7 133.15 36.29 Favored 'General case' 0 N--CA 1.496 1.835 0 CA-C-O 121.659 0.743 . . . . 0.0 112.025 176.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' ILE . . . . . . . . . . . . . 10.5 tp -136.76 141.22 41.43 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 120.416 -1.428 . . . . 0.0 112.559 -155.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -84.85 120.01 25.98 Favored 'General case' 0 CA--C 1.576 1.968 0 O-C-N 121.326 -0.859 . . . . 0.0 111.003 162.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 1.1 tp -69.43 -10.93 60.15 Favored 'General case' 0 N--CA 1.503 2.206 0 N-CA-C 115.269 1.581 . . . . 0.0 115.269 171.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 9.4 t -38.4 -49.0 1.42 Allowed 'General case' 0 N--CA 1.503 2.193 0 CA-C-N 123.529 2.877 . . . . 0.0 116.493 165.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -63.45 -53.73 47.61 Favored 'General case' 0 CA--C 1.569 1.681 0 N-CA-C 115.613 1.709 . . . . 0.0 115.613 164.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -63.88 -28.58 69.94 Favored 'General case' 0 CA--C 1.575 1.922 0 N-CA-C 117.982 2.586 . . . . 0.0 117.982 179.001 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 166' ' ' GLN . . . . . . . . . . . . 0.488 0.0 OUTLIER -68.29 -46.12 71.19 Favored 'General case' 0 N--CA 1.496 1.86 0 CA-C-N 123.341 2.791 . . . . 0.0 114.877 169.767 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 59.3 m170 -54.68 -35.11 63.21 Favored 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 114.699 1.37 . . . . 0.0 114.699 172.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . 0.331 2.5 t -78.0 -31.28 16.64 Favored 'Isoleucine or valine' 0 CA--C 1.581 2.17 0 CA-C-O 117.046 -1.455 . . . . 0.0 114.587 169.779 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . 0.433 5.8 pt -72.33 -26.7 24.96 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.648 0 CA-C-N 123.641 2.928 . . . . 0.0 116.591 164.486 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 21.9 t -55.54 -8.51 0.37 Allowed 'General case' 0 CA--C 1.577 2.013 0 N-CA-C 119.273 3.064 . . . . 0.0 119.273 169.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 171' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -59.1 -49.08 79.24 Favored 'General case' 0 CA--C 1.578 2.029 0 N-CA-C 116.091 1.886 . . . . 0.0 116.091 158.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 47.3 t -158.03 -58.82 0.02 OUTLIER Pre-proline 0 CA--C 1.582 2.18 0 CA-C-O 116.008 -1.949 . . . . 0.0 116.123 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -83.48 127.62 4.48 Favored 'Trans proline' 0 CA--C 1.576 2.576 0 CA-C-N 125.507 3.002 . . . . 0.0 116.196 -163.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -154.77 -78.18 0.1 Allowed 'General case' 0 CA--C 1.574 1.888 1 O-C-N 113.057 -6.027 . . . . 0.0 108.726 -9.594 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -68.7 -9.89 53.09 Favored 'General case' 0 N--CA 1.497 1.878 0 N-CA-C 117.394 2.368 . . . . 0.0 117.394 178.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -46.97 -33.65 4.85 Favored 'General case' 0 CA--C 1.575 1.936 0 N-CA-C 117.705 2.483 . . . . 0.0 117.705 158.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 99.7 p -54.67 -63.88 1.01 Allowed 'General case' 0 CA--C 1.574 1.891 0 N-CA-C 116.66 2.096 . . . . 0.0 116.66 161.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 60.6 p -98.16 40.69 1.16 Allowed 'General case' 0 CA--C 1.575 1.918 0 N-CA-C 116.822 2.156 . . . . 0.0 116.822 178.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -87.84 72.87 9.32 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 120.387 -1.446 . . . . 0.0 109.891 172.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.92 166.4 22.78 Favored 'General case' 0 CA--C 1.566 1.594 0 N-CA-C 114.902 1.445 . . . . 0.0 114.902 -157.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 181' ' ' ILE . . . . . . . . . . . . . 10.1 tp -120.89 156.97 24.17 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.865 0 C-N-CA 124.386 1.075 . . . . 0.0 111.83 177.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 95.7 t -95.49 123.01 47.48 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.976 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 161.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 46.0 tp . . . . . 0 CA--C 1.566 1.572 0 C-N-CA 123.347 0.659 . . . . 0.0 110.526 171.638 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.9 m . . . . . 0 N--CA 1.486 1.37 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 40.3 tptt -72.6 -31.05 64.89 Favored 'General case' 0 CA--C 1.578 2.044 0 N-CA-C 116.696 2.11 . . . . 0.0 116.696 -178.607 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.95 153.83 17.48 Favored 'General case' 0 CA--C 1.573 1.848 0 N-CA-C 114.638 1.347 . . . . 0.0 114.638 177.481 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 88.0 mt -103.86 74.72 1.24 Allowed 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.24 -0.912 . . . . 0.0 111.109 168.189 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.5 tt -148.79 -59.99 0.23 Allowed 'General case' 0 N--CA 1.498 1.964 0 O-C-N 120.875 -1.14 . . . . 0.0 112.988 -175.265 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -84.37 90.22 7.54 Favored 'General case' 0 CA--C 1.568 1.648 0 N-CA-C 115.941 1.83 . . . . 0.0 115.941 -161.14 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 56.11 61.45 2.74 Favored 'General case' 0 N--CA 1.5 2.048 0 N-CA-C 117.22 2.304 . . . . 0.0 117.22 166.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 58.2 m-85 -87.68 91.11 8.63 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.892 -1.13 . . . . 0.0 111.836 -178.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -75.47 89.29 2.67 Favored 'General case' 0 CA--C 1.57 1.744 0 CA-C-O 122.508 1.147 . . . . 0.0 111.953 176.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -133.49 80.69 1.89 Allowed 'General case' 0 N--CA 1.487 1.418 0 CA-C-N 115.342 -0.844 . . . . 0.0 110.796 -172.265 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 93.4 mt -76.17 90.59 3.11 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.279 -0.888 . . . . 0.0 109.759 167.53 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.5 p -140.94 153.28 45.56 Favored 'General case' 0 N--CA 1.495 1.806 0 CA-C-O 122.409 1.099 . . . . 0.0 112.788 -153.626 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -84.63 33.98 0.53 Allowed 'General case' 0 CA--C 1.584 2.284 0 N-CA-C 115.246 1.573 . . . . 0.0 115.246 177.233 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -121.91 125.77 47.14 Favored 'General case' 0 CA--C 1.567 1.628 0 O-C-N 120.719 -1.238 . . . . 0.0 109.88 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 80.8 p -73.68 169.92 16.32 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.036 -1.04 . . . . 0.0 113.442 170.119 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -49.24 -42.83 41.85 Favored 'General case' 0 N--CA 1.502 2.14 0 N-CA-C 117.839 2.533 . . . . 0.0 117.839 -178.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -72.06 -40.5 68.27 Favored 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 115.995 1.85 . . . . 0.0 115.995 171.232 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -55.39 -44.89 76.54 Favored 'General case' 0 N--CA 1.5 2.057 0 N-CA-C 115.325 1.602 . . . . 0.0 115.325 168.135 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 65.9 mt -54.6 -51.29 52.13 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.003 0 C-N-CA 124.313 1.045 . . . . 0.0 113.538 165.233 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 37.1 tp -59.26 -45.89 89.98 Favored 'General case' 0 CA--C 1.573 1.85 0 N-CA-C 115.715 1.746 . . . . 0.0 115.715 174.261 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 91.0 mt -57.56 -52.51 65.12 Favored 'General case' 0 N--CA 1.496 1.864 0 N-CA-C 114.851 1.426 . . . . 0.0 114.851 167.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.93 -40.52 66.83 Favored 'General case' 0 CA--C 1.57 1.748 0 N-CA-C 117.099 2.259 . . . . 0.0 117.099 167.368 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 25.3 t-80 -57.56 -48.32 79.66 Favored 'General case' 0 N--CA 1.492 1.638 0 N-CA-C 114.794 1.405 . . . . 0.0 114.794 165.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -53.57 -45.64 70.02 Favored 'General case' 0 CA--C 1.576 1.946 0 N-CA-C 115.714 1.746 . . . . 0.0 115.714 168.316 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.19 -52.0 67.09 Favored 'General case' 0 N--CA 1.496 1.833 0 N-CA-C 114.979 1.474 . . . . 0.0 114.979 166.513 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -52.78 -41.97 64.6 Favored 'General case' 0 CA--C 1.574 1.88 0 N-CA-C 117.247 2.314 . . . . 0.0 117.247 166.602 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 58.4 m -62.01 -44.11 97.41 Favored 'General case' 0 CA--C 1.568 1.637 0 N-CA-C 116.289 1.959 . . . . 0.0 116.289 169.671 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -59.27 -44.34 92.46 Favored 'General case' 0 N--CA 1.502 2.14 0 CA-C-N 120.79 1.632 . . . . 0.0 115.25 164.669 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.9 mp -58.98 -35.2 72.79 Favored 'General case' 0 CA--C 1.569 1.682 0 N-CA-C 116.538 2.051 . . . . 0.0 116.538 167.033 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.3 mt -60.64 -51.26 81.04 Favored Pre-proline 0 CA--C 1.583 2.249 0 N-CA-C 119.868 3.284 . . . . 0.0 119.868 -174.134 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -96.76 93.94 0.08 OUTLIER 'Trans proline' 0 CA--C 1.57 2.294 0 CA-C-N 124.054 2.484 . . . . 0.0 117.496 -161.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -142.91 -55.91 0.42 Allowed 'General case' 0 N--CA 1.499 1.988 0 O-C-N 120.992 -1.067 . . . . 0.0 110.681 160.494 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -66.29 -47.74 72.67 Favored 'General case' 0 CA--C 1.578 2.022 0 O-C-N 121.042 -1.036 . . . . 0.0 113.596 168.216 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -94.02 80.52 4.1 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.562 -1.336 . . . . 0.0 111.822 153.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 31.4 tpt180 -67.48 -69.72 0.3 Allowed 'General case' 0 N--CA 1.498 1.972 0 O-C-N 120.005 -1.684 . . . . 0.0 115.201 -174.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 27.6 t -91.74 -56.18 3.2 Favored 'General case' 0 N--CA 1.495 1.795 0 N-CA-C 114.31 1.226 . . . . 0.0 114.31 177.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 16.3 m -79.43 105.22 8.5 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 O-C-N 120.912 -1.117 . . . . 0.0 111.617 178.488 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -82.9 81.68 8.5 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.082 -1.011 . . . . 0.0 111.789 -179.125 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 94.2 p -99.9 -48.69 4.59 Favored 'General case' 0 N--CA 1.494 1.766 0 N-CA-C 116.012 1.856 . . . . 0.0 116.012 -172.624 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 89.1 p -85.44 77.95 9.81 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.802 -1.187 . . . . 0.0 113.541 -177.564 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.9 mp -72.46 -67.41 0.55 Allowed 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 114.532 1.308 . . . . 0.0 114.532 -172.156 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 94.8 mtt-85 -79.1 66.61 4.59 Favored 'General case' 0 N--CA 1.504 2.238 0 CA-C-N 121.014 1.734 . . . . 0.0 112.809 174.359 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -172.21 -61.1 0.02 OUTLIER 'General case' 0 CA--C 1.564 1.495 0 C-N-CA 125.982 1.713 . . . . 0.0 109.235 -168.497 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -86.98 133.88 33.54 Favored 'General case' 0 CA--C 1.572 1.804 0 O-C-N 120.764 -1.21 . . . . 0.0 110.684 167.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 30.4 t -93.07 128.52 42.9 Favored Pre-proline 0 CA--C 1.58 2.105 1 O-C-N 114.336 -5.227 . . . . 0.0 113.897 38.246 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -90.19 169.12 4.27 Favored 'Trans proline' 0 CA--C 1.568 2.219 0 C-N-CA 122.782 2.321 . . . . 0.0 115.694 174.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . 0.26 20.3 p90 -56.24 -34.78 66.68 Favored 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 117.982 2.586 . . . . 0.0 117.982 167.42 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -53.01 -43.59 66.63 Favored 'General case' 0 N--CA 1.504 2.261 0 N-CA-C 116.248 1.944 . . . . 0.0 116.248 163.257 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 40.6 tp60 -73.45 -37.83 65.69 Favored 'General case' 0 CA--C 1.575 1.939 0 N-CA-C 116.297 1.962 . . . . 0.0 116.297 174.725 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 24.2 mm -60.62 -52.13 65.12 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.202 0 C-N-CA 124.222 1.009 . . . . 0.0 113.226 163.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.9 tt -56.8 -16.61 6.9 Favored 'General case' 0 CA--C 1.578 2.034 0 N-CA-C 117.773 2.508 . . . . 0.0 117.773 167.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.7 t -60.48 -29.89 69.34 Favored 'General case' 0 CA--C 1.572 1.821 0 N-CA-C 118.685 2.846 . . . . 0.0 118.685 176.462 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -95.87 145.87 30.32 Favored Pre-proline 0 CA--C 1.589 2.462 0 N-CA-C 115.643 1.72 . . . . 0.0 115.643 -174.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_exo -38.44 -60.8 0.43 Allowed 'Trans proline' 0 C--N 1.379 2.15 1 N-CA-C 124.237 4.668 . . . . 0.0 124.237 -169.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -82.21 19.82 1.13 Allowed 'General case' 0 N--CA 1.504 2.272 0 N-CA-C 116.587 2.069 . . . . 0.0 116.587 -177.3 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.0 mp -110.04 55.61 0.64 Allowed 'General case' 0 CA--C 1.576 1.976 0 O-C-N 120.145 -1.597 . . . . 0.0 110.568 174.285 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -131.51 -76.74 0.52 Allowed 'General case' 0 N--CA 1.495 1.804 0 C-N-CA 123.929 0.892 . . . . 0.0 108.964 -169.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -85.73 50.77 2.03 Favored 'General case' 0 CA--C 1.573 1.859 0 N-CA-C 114.2 1.185 . . . . 0.0 114.2 162.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -109.08 95.47 17.81 Favored Pre-proline 0 CA--C 1.568 1.668 0 N-CA-C 105.424 -2.065 . . . . 0.0 105.424 161.507 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -59.38 -20.87 58.25 Favored 'Trans proline' 0 CA--C 1.566 2.081 0 N-CA-C 118.411 2.427 . . . . 0.0 118.411 -174.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -88.5 2.7 52.37 Favored 'General case' 0 CA--C 1.568 1.639 0 N-CA-C 116.438 2.014 . . . . 0.0 116.438 173.581 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . 0.304 16.3 mmtt -63.51 -42.08 98.49 Favored 'General case' 0 N--CA 1.502 2.129 0 CA-C-N 124.132 3.151 . . . . 0.0 117.593 -178.562 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -64.72 -36.46 84.36 Favored 'General case' 0 N--CA 1.498 1.963 0 N-CA-C 115.774 1.768 . . . . 0.0 115.774 164.373 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -63.49 -47.66 80.85 Favored 'General case' 0 N--CA 1.498 1.974 0 N-CA-C 114.534 1.309 . . . . 0.0 114.534 170.393 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . 0.342 56.9 mt -47.89 -60.78 0.57 Allowed 'Isoleucine or valine' 0 CA--C 1.582 2.176 0 C-N-CA 125.944 1.698 . . . . 0.0 112.708 165.041 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 33.8 t -44.5 -45.09 9.05 Favored 'General case' 0 N--CA 1.501 2.089 0 N-CA-C 119.836 3.273 . . . . 0.0 119.836 165.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -66.2 -42.47 88.76 Favored 'General case' 0 N--CA 1.494 1.745 0 N-CA-C 116.43 2.011 . . . . 0.0 116.43 173.572 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 40.1 t -66.06 -40.97 88.68 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.118 0 CA-C-N 119.39 0.996 . . . . 0.0 113.467 169.373 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.504 ' CG ' HD22 ' A' ' 86' ' ' LEU . 17.0 m-30 -48.32 -54.98 11.86 Favored 'General case' 0 CA--C 1.574 1.886 0 N-CA-C 117.173 2.286 . . . . 0.0 117.173 169.544 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 32.5 t -126.74 -68.33 0.81 Allowed 'General case' 0 CA--C 1.561 1.38 0 C-N-CA 124.037 0.935 . . . . 0.0 109.361 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 23.9 m -96.93 -80.81 0.43 Allowed 'General case' 0 N--CA 1.494 1.773 1 O-C-N 114.1 -5.375 . . . . 0.0 109.229 -74.835 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . 0.657 94.1 p 89.07 -86.83 0.0 OUTLIER Pre-proline 0 CA--C 1.584 2.268 0 CA-C-O 115.643 -2.123 . . . . 0.0 114.376 -167.396 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -75.49 167.94 25.52 Favored 'Trans proline' 0 CA--C 1.572 2.424 0 CA-C-N 126.457 3.342 . . . . 0.0 116.538 176.263 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.02 127.97 34.12 Favored 'General case' 0 CA--C 1.57 1.718 0 O-C-N 120.662 -1.274 . . . . 0.0 114.217 175.633 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . 0.366 12.3 mptt 74.57 -37.18 0.35 Allowed 'General case' 0 N--CA 1.503 2.202 0 N-CA-C 117.277 2.325 . . . . 0.0 117.277 179.488 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -73.24 94.05 1.95 Allowed 'General case' 0 CA--C 1.577 1.994 0 CA-C-N 120.55 1.523 . . . . 0.0 110.957 164.071 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 30.2 t -138.34 -119.42 0.14 Allowed 'General case' 0 CA--C 1.57 1.72 0 CA-C-O 118.55 -0.738 . . . . 0.0 112.417 -160.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . 0.28 0.5 OUTLIER -83.71 90.44 7.3 Favored 'General case' 0 N--CA 1.491 1.617 0 CA-C-N 121.343 1.883 . . . . 0.0 113.839 -164.829 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 59.5 p -66.35 165.43 14.14 Favored 'General case' 0 CA--C 1.57 1.714 0 N-CA-C 114.521 1.304 . . . . 0.0 114.521 166.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . 0.265 43.0 t80 -60.78 -36.66 79.54 Favored 'General case' 0 N--CA 1.504 2.259 0 N-CA-C 117.191 2.293 . . . . 0.0 117.191 -178.416 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -55.27 -52.13 64.4 Favored 'General case' 0 N--CA 1.495 1.777 0 N-CA-C 115.036 1.495 . . . . 0.0 115.036 167.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -51.79 -51.89 53.0 Favored 'General case' 0 CA--C 1.571 1.762 0 N-CA-C 113.899 1.074 . . . . 0.0 113.899 161.413 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.466 ' HA ' ' CD2' ' A' ' 86' ' ' LEU 0.31 17.3 t80 -46.38 -41.57 13.77 Favored 'General case' 0 N--CA 1.499 1.979 0 N-CA-C 119.118 3.007 . . . . 0.0 119.118 172.085 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 97.4 mt -74.99 -53.4 9.01 Favored 'General case' 0 CA--C 1.565 1.543 0 N-CA-C 114.327 1.232 . . . . 0.0 114.327 169.351 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 -51.37 -41.72 60.85 Favored 'General case' 0 N--CA 1.498 1.926 0 N-CA-C 116.308 1.966 . . . . 0.0 116.308 177.42 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.504 HD22 ' CG ' ' A' ' 69' ' ' PHE . 3.6 pp -57.12 -56.52 20.76 Favored 'General case' 0 N--CA 1.496 1.862 0 N-CA-C 117.55 2.426 . . . . 0.0 117.55 169.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.427 ' N ' HD12 ' A' ' 86' ' ' LEU . 5.0 tt -71.71 -35.03 70.08 Favored 'General case' 0 N--CA 1.49 1.566 0 C-N-CA 124.754 1.222 . . . . 0.0 112.989 -176.569 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 33.2 t -42.57 -38.27 1.93 Allowed 'General case' 0 CA--C 1.566 1.59 0 N-CA-C 118.483 2.771 . . . . 0.0 118.483 155.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 49.7 t -59.78 -46.06 94.01 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.174 0 CA-C-N 120.346 1.43 . . . . 0.0 113.99 167.278 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -82.42 -5.17 58.49 Favored 'General case' 0 CA--C 1.578 2.044 0 N-CA-C 116.907 2.188 . . . . 0.0 116.907 173.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 27.3 t -62.82 133.16 54.32 Favored 'General case' 0 CA--C 1.562 1.42 0 O-C-N 119.768 -1.832 . . . . 0.0 112.771 -179.202 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -79.88 84.38 5.66 Favored 'General case' 0 CA--C 1.573 1.833 0 CA-C-O 122.047 0.927 . . . . 0.0 111.64 -170.408 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 54.3 m 157.69 -50.38 0.0 OUTLIER 'General case' 0 N--CA 1.509 2.517 0 C-N-CA 126.33 1.852 . . . . 0.0 107.97 -145.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.01 157.65 21.4 Favored 'General case' 0 CA--C 1.565 1.539 0 N-CA-C 116.887 2.18 . . . . 0.0 116.887 176.633 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 66.5 p -76.97 147.92 77.96 Favored Pre-proline 0 CA--C 1.574 1.894 0 N-CA-C 114.877 1.436 . . . . 0.0 114.877 -167.506 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -56.79 -32.37 91.33 Favored 'Trans proline' 0 CA--C 1.566 2.109 0 N-CA-C 118.45 2.442 . . . . 0.0 118.45 170.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -60.88 -51.98 67.0 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 114.712 1.375 . . . . 0.0 114.712 171.127 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . 0.318 7.5 tt -56.93 -37.12 52.76 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.375 0 CA-C-N 121.738 2.063 . . . . 0.0 116.097 172.834 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -64.11 -48.19 77.08 Favored 'General case' 0 CA--C 1.577 2.002 0 N-CA-C 115.418 1.636 . . . . 0.0 115.418 168.324 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 9.5 t -58.88 -40.4 84.29 Favored 'General case' 0 CA--C 1.576 1.964 0 N-CA-C 116.936 2.198 . . . . 0.0 116.936 165.674 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 41.7 m-70 -53.4 -48.52 68.6 Favored 'General case' 0 N--CA 1.502 2.134 0 N-CA-C 114.699 1.37 . . . . 0.0 114.699 163.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -59.55 -47.5 85.31 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 115.216 1.562 . . . . 0.0 115.216 170.089 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -51.33 -46.48 62.63 Favored 'General case' 0 CA--C 1.571 1.751 0 N-CA-C 116.196 1.924 . . . . 0.0 116.196 166.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.471 ' HB2' HD22 ' A' ' 162' ' ' LEU . 26.4 t80 -47.19 -54.48 10.6 Favored 'General case' 0 N--CA 1.498 1.94 0 N-CA-C 117.638 2.459 . . . . 0.0 117.638 161.347 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 90.2 mtt180 -65.08 -23.3 67.13 Favored 'General case' 0 CA--C 1.573 1.838 0 N-CA-C 116.023 1.86 . . . . 0.0 116.023 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 46.7 mm -63.76 -48.9 84.4 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.089 0 CA-C-N 120.39 1.45 . . . . 0.0 114.173 163.509 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -74.72 -36.97 62.69 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 115.968 1.84 . . . . 0.0 115.968 175.682 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -79.75 81.49 6.0 Favored 'General case' 0 CA--C 1.571 1.764 0 O-C-N 120.709 -1.244 . . . . 0.0 111.121 169.608 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . 0.253 49.6 p90 -78.52 -50.85 10.87 Favored 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 116.925 2.194 . . . . 0.0 116.925 -169.186 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -88.49 66.83 8.39 Favored 'General case' 0 CA--C 1.573 1.828 0 O-C-N 120.823 -1.173 . . . . 0.0 113.685 -175.365 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . 0.25 20.1 m-20 69.83 -39.26 0.43 Allowed 'General case' 0 N--CA 1.505 2.31 0 N-CA-C 119.562 3.171 . . . . 0.0 119.562 165.511 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -70.56 -60.07 2.47 Favored 'General case' 0 CA--C 1.572 1.824 0 N-CA-C 117.384 2.364 . . . . 0.0 117.384 -158.147 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 129.73 -45.72 1.12 Allowed Glycine 0 N--CA 1.499 2.844 0 N-CA-C 116.388 1.315 . . . . 0.0 116.388 -162.158 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 71.7 p -87.42 95.92 10.19 Favored 'General case' 0 N--CA 1.492 1.675 0 CA-C-N 117.996 0.898 . . . . 0.0 111.199 -176.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.12 163.69 13.86 Favored 'General case' 0 CA--C 1.568 1.673 0 CA-C-O 122.002 0.906 . . . . 0.0 112.385 167.741 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 56.6 t-20 -67.94 139.95 56.42 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.019 -1.676 . . . . 0.0 111.763 173.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 39.3 ptt180 -39.93 -37.67 0.6 Allowed 'General case' 0 N--CA 1.498 1.953 0 N-CA-C 119.047 2.981 . . . . 0.0 119.047 165.511 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -58.61 -54.37 47.83 Favored 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 113.727 1.01 . . . . 0.0 113.727 167.49 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -54.51 -40.07 68.21 Favored 'General case' 0 N--CA 1.497 1.886 0 N-CA-C 115.974 1.842 . . . . 0.0 115.974 166.707 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.492 HD13 HG21 ' A' ' 160' ' ' ILE . 6.2 tt -58.64 -53.76 54.73 Favored 'General case' 0 N--CA 1.498 1.934 0 N-CA-C 116.07 1.878 . . . . 0.0 116.07 166.04 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 21.1 t -60.54 -40.98 93.51 Favored 'General case' 0 CA--C 1.568 1.64 0 O-C-N 120.452 -1.405 . . . . 0.0 114.75 172.606 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -58.98 -42.48 90.08 Favored 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 115.152 1.538 . . . . 0.0 115.152 165.353 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.465 HD11 ' HA ' ' A' ' 104' ' ' PHE 0.251 1.6 tt -53.42 -51.68 61.84 Favored 'General case' 0 N--CA 1.496 1.868 0 CA-C-N 120.996 1.725 . . . . 0.0 115.289 168.644 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 21.9 t -63.33 -40.65 89.82 Favored 'Isoleucine or valine' 0 CA--C 1.576 1.954 0 CA-C-O 118.014 -0.993 . . . . 0.0 112.801 173.205 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -74.08 -45.2 50.77 Favored 'General case' 0 N--CA 1.495 1.789 0 N-CA-C 117.113 2.264 . . . . 0.0 117.113 174.244 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 35.8 t -54.89 -26.17 33.95 Favored 'General case' 0 CA--C 1.576 1.95 0 N-CA-C 116.119 1.896 . . . . 0.0 116.119 167.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 94.8 mt -71.97 -67.38 0.54 Allowed 'General case' 0 CA--C 1.586 2.343 0 N-CA-C 115.167 1.543 . . . . 0.0 115.167 150.555 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . 0.271 1.4 t -75.53 89.53 2.71 Favored 'General case' 0 N--CA 1.503 2.2 0 CA-C-N 121.193 1.815 . . . . 0.0 113.111 -179.343 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 156.51 -62.9 0.33 Allowed Glycine 0 N--CA 1.49 2.252 0 N-CA-C 110.708 -0.957 . . . . 0.0 110.708 -148.671 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -59.66 -48.62 80.95 Favored 'General case' 0 CA--C 1.576 1.958 0 N-CA-C 115.101 1.519 . . . . 0.0 115.101 156.284 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -85.6 64.8 4.07 Favored Glycine 0 N--CA 1.495 2.58 0 N-CA-C 117.708 1.843 . . . . 0.0 117.708 -178.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 57.55 66.37 1.15 Allowed 'General case' 0 N--CA 1.499 1.982 0 N-CA-C 116.841 2.163 . . . . 0.0 116.841 171.012 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -118.0 105.39 11.83 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.177 -0.952 . . . . 0.0 110.853 178.142 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 10.5 t -73.59 174.25 8.57 Favored 'General case' 0 N--CA 1.499 1.991 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 162.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -55.24 -42.84 73.98 Favored 'General case' 0 N--CA 1.502 2.174 0 N-CA-C 116.851 2.167 . . . . 0.0 116.851 179.542 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 92.8 mt -64.26 -41.61 96.86 Favored 'General case' 0 N--CA 1.497 1.919 0 N-CA-C 115.904 1.816 . . . . 0.0 115.904 168.307 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 48.7 m -62.54 -46.41 88.51 Favored 'General case' 0 N--CA 1.497 1.893 0 N-CA-C 115.83 1.789 . . . . 0.0 115.83 169.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -58.23 -46.09 86.54 Favored 'General case' 0 CA--C 1.569 1.709 0 N-CA-C 116.594 2.072 . . . . 0.0 116.594 168.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 17.8 t -58.52 -51.83 68.23 Favored 'General case' 0 N--CA 1.497 1.884 0 N-CA-C 115.465 1.654 . . . . 0.0 115.465 167.475 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -53.35 -49.0 68.04 Favored 'General case' 0 CA--C 1.573 1.86 0 N-CA-C 116.292 1.96 . . . . 0.0 116.292 171.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 67.2 mtt -70.06 -33.55 72.08 Favored 'General case' 0 CA--C 1.571 1.779 0 N-CA-C 116.161 1.912 . . . . 0.0 116.161 173.411 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -67.55 -38.25 83.89 Favored 'General case' 0 N--CA 1.5 2.072 0 N-CA-C 115.972 1.842 . . . . 0.0 115.972 166.459 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -58.32 -39.01 78.27 Favored 'General case' 0 CA--C 1.58 2.106 0 N-CA-C 116.009 1.855 . . . . 0.0 116.009 161.362 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 4.7 tt -59.86 -48.73 80.5 Favored 'General case' 0 CA--C 1.575 1.929 0 N-CA-C 114.136 1.161 . . . . 0.0 114.136 164.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 58.6 mt -54.43 -42.74 60.15 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.381 0 N-CA-C 114.179 1.177 . . . . 0.0 114.179 169.666 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -52.7 -41.93 64.34 Favored 'General case' 0 N--CA 1.499 1.992 0 N-CA-C 116.112 1.893 . . . . 0.0 116.112 170.34 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 69.0 m-80 -68.31 -41.73 80.45 Favored 'General case' 0 N--CA 1.493 1.705 0 N-CA-C 115.348 1.61 . . . . 0.0 115.348 168.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 2.9 mm -62.04 -33.76 59.92 Favored 'Isoleucine or valine' 0 CA--C 1.584 2.282 0 CA-C-N 119.779 1.172 . . . . 0.0 113.98 169.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 77.3 mt -65.18 -30.34 71.24 Favored 'General case' 0 CA--C 1.572 1.818 0 N-CA-C 116.955 2.205 . . . . 0.0 116.955 166.355 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -58.63 -56.83 17.1 Favored 'General case' 0 N--CA 1.495 1.811 0 CA-C-N 120.42 1.464 . . . . 0.0 114.817 174.178 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -88.98 -37.8 14.93 Favored 'General case' 0 N--CA 1.497 1.889 0 N-CA-C 115.02 1.489 . . . . 0.0 115.02 -170.188 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 28.9 t -74.38 78.18 1.88 Allowed 'General case' 0 CA--C 1.574 1.868 0 O-C-N 120.346 -1.472 . . . . 0.0 110.409 149.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -63.41 110.8 2.05 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 115.115 1.524 . . . . 0.0 115.115 -155.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . 0.266 1.9 tp -83.26 -35.35 11.82 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.84 0 N-CA-C 116.458 2.021 . . . . 0.0 116.458 -176.713 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -82.68 127.07 33.05 Favored 'General case' 0 CA--C 1.568 1.64 0 O-C-N 120.823 -1.173 . . . . 0.0 110.85 172.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . 0.365 65.1 ttt180 97.42 -53.15 0.01 OUTLIER 'General case' 0 N--CA 1.505 2.276 0 C-N-CA 125.169 1.387 . . . . 0.0 112.43 -154.223 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -72.14 -63.92 1.05 Allowed 'General case' 0 CA--C 1.579 2.058 0 N-CA-C 115.42 1.637 . . . . 0.0 115.42 177.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 79.04 -74.73 2.14 Favored Glycine 0 N--CA 1.495 2.571 0 N-CA-C 116.429 1.331 . . . . 0.0 116.429 -173.544 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 6.6 t -92.7 133.15 36.29 Favored 'General case' 0 N--CA 1.496 1.835 0 CA-C-O 121.659 0.743 . . . . 0.0 112.025 176.097 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 160' ' ' ILE . . . . . 0.492 HG21 HD13 ' A' ' 120' ' ' LEU . 10.5 tp -136.76 141.22 41.43 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 120.416 -1.428 . . . . 0.0 112.559 -155.37 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -84.85 120.01 25.98 Favored 'General case' 0 CA--C 1.576 1.968 0 O-C-N 121.326 -0.859 . . . . 0.0 111.003 162.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 162' ' ' LEU . . . . . 0.471 HD22 ' HB2' ' A' ' 104' ' ' PHE . 1.1 tp -69.43 -10.93 60.15 Favored 'General case' 0 N--CA 1.503 2.206 0 N-CA-C 115.269 1.581 . . . . 0.0 115.269 171.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 9.4 t -38.4 -49.0 1.42 Allowed 'General case' 0 N--CA 1.503 2.193 0 CA-C-N 123.529 2.877 . . . . 0.0 116.493 165.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -63.45 -53.73 47.61 Favored 'General case' 0 CA--C 1.569 1.681 0 N-CA-C 115.613 1.709 . . . . 0.0 115.613 164.535 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -63.88 -28.58 69.94 Favored 'General case' 0 CA--C 1.575 1.922 0 N-CA-C 117.982 2.586 . . . . 0.0 117.982 179.001 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 166' ' ' GLN . . . . . . . . . . . . 0.488 0.0 OUTLIER -68.29 -46.12 71.19 Favored 'General case' 0 N--CA 1.496 1.86 0 CA-C-N 123.341 2.791 . . . . 0.0 114.877 169.767 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 59.3 m170 -54.68 -35.11 63.21 Favored 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 114.699 1.37 . . . . 0.0 114.699 172.624 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . 0.331 2.5 t -78.0 -31.28 16.64 Favored 'Isoleucine or valine' 0 CA--C 1.581 2.17 0 CA-C-O 117.046 -1.455 . . . . 0.0 114.587 169.779 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . 0.433 5.8 pt -72.33 -26.7 24.96 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.648 0 CA-C-N 123.641 2.928 . . . . 0.0 116.591 164.486 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 21.9 t -55.54 -8.51 0.37 Allowed 'General case' 0 CA--C 1.577 2.013 0 N-CA-C 119.273 3.064 . . . . 0.0 119.273 169.168 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 171' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -59.1 -49.08 79.24 Favored 'General case' 0 CA--C 1.578 2.029 0 N-CA-C 116.091 1.886 . . . . 0.0 116.091 158.072 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 47.3 t -158.03 -58.82 0.02 OUTLIER Pre-proline 0 CA--C 1.582 2.18 0 CA-C-O 116.008 -1.949 . . . . 0.0 116.123 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -83.48 127.62 4.48 Favored 'Trans proline' 0 CA--C 1.576 2.576 0 CA-C-N 125.507 3.002 . . . . 0.0 116.196 -163.625 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -154.77 -78.18 0.1 Allowed 'General case' 0 CA--C 1.574 1.888 1 O-C-N 113.057 -6.027 . . . . 0.0 108.726 -9.594 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -68.7 -9.89 53.09 Favored 'General case' 0 N--CA 1.497 1.878 0 N-CA-C 117.394 2.368 . . . . 0.0 117.394 178.439 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -46.97 -33.65 4.85 Favored 'General case' 0 CA--C 1.575 1.936 0 N-CA-C 117.705 2.483 . . . . 0.0 117.705 158.284 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 99.7 p -54.67 -63.88 1.01 Allowed 'General case' 0 CA--C 1.574 1.891 0 N-CA-C 116.66 2.096 . . . . 0.0 116.66 161.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 60.6 p -98.16 40.69 1.16 Allowed 'General case' 0 CA--C 1.575 1.918 0 N-CA-C 116.822 2.156 . . . . 0.0 116.822 178.474 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -87.84 72.87 9.32 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 120.387 -1.446 . . . . 0.0 109.891 172.182 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.92 166.4 22.78 Favored 'General case' 0 CA--C 1.566 1.594 0 N-CA-C 114.902 1.445 . . . . 0.0 114.902 -157.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 181' ' ' ILE . . . . . . . . . . . . . 10.1 tp -120.89 156.97 24.17 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.865 0 C-N-CA 124.386 1.075 . . . . 0.0 111.83 177.535 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 95.7 t -95.49 123.01 47.48 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.976 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 161.584 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 46.0 tp . . . . . 0 CA--C 1.566 1.572 0 C-N-CA 123.347 0.659 . . . . 0.0 110.526 171.638 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.9 m . . . . . 0 N--CA 1.486 1.37 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 40.3 tptt -72.6 -31.05 64.89 Favored 'General case' 0 CA--C 1.578 2.044 0 N-CA-C 116.696 2.11 . . . . 0.0 116.696 -178.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.95 153.83 17.48 Favored 'General case' 0 CA--C 1.573 1.848 0 N-CA-C 114.638 1.347 . . . . 0.0 114.638 177.481 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 88.0 mt -103.86 74.72 1.24 Allowed 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.24 -0.912 . . . . 0.0 111.109 168.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.5 tt -148.79 -59.99 0.23 Allowed 'General case' 0 N--CA 1.498 1.964 0 O-C-N 120.875 -1.14 . . . . 0.0 112.988 -175.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -84.37 90.22 7.54 Favored 'General case' 0 CA--C 1.568 1.648 0 N-CA-C 115.941 1.83 . . . . 0.0 115.941 -161.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 56.11 61.45 2.74 Favored 'General case' 0 N--CA 1.5 2.048 0 N-CA-C 117.22 2.304 . . . . 0.0 117.22 166.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 58.2 m-85 -87.68 91.11 8.63 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.892 -1.13 . . . . 0.0 111.836 -178.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -75.47 89.29 2.67 Favored 'General case' 0 CA--C 1.57 1.744 0 CA-C-O 122.508 1.147 . . . . 0.0 111.953 176.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -133.49 80.69 1.89 Allowed 'General case' 0 N--CA 1.487 1.418 0 CA-C-N 115.342 -0.844 . . . . 0.0 110.796 -172.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 93.4 mt -76.17 90.59 3.11 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.279 -0.888 . . . . 0.0 109.759 167.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.5 p -140.94 153.28 45.56 Favored 'General case' 0 N--CA 1.495 1.806 0 CA-C-O 122.409 1.099 . . . . 0.0 112.788 -153.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -84.63 33.98 0.53 Allowed 'General case' 0 CA--C 1.584 2.284 0 N-CA-C 115.246 1.573 . . . . 0.0 115.246 177.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -121.91 125.77 47.14 Favored 'General case' 0 CA--C 1.567 1.628 0 O-C-N 120.719 -1.238 . . . . 0.0 109.88 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 80.8 p -73.68 169.92 16.32 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.036 -1.04 . . . . 0.0 113.442 170.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -49.24 -42.83 41.85 Favored 'General case' 0 N--CA 1.502 2.14 0 N-CA-C 117.839 2.533 . . . . 0.0 117.839 -178.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 38.7 tp60 -72.06 -40.5 68.27 Favored 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 115.995 1.85 . . . . 0.0 115.995 171.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -55.39 -44.89 76.54 Favored 'General case' 0 N--CA 1.5 2.057 0 N-CA-C 115.325 1.602 . . . . 0.0 115.325 168.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 65.9 mt -54.6 -51.29 52.13 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.003 0 C-N-CA 124.313 1.045 . . . . 0.0 113.538 165.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 37.1 tp -59.26 -45.89 89.98 Favored 'General case' 0 CA--C 1.573 1.85 0 N-CA-C 115.715 1.746 . . . . 0.0 115.715 174.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 91.0 mt -57.56 -52.51 65.12 Favored 'General case' 0 N--CA 1.496 1.864 0 N-CA-C 114.851 1.426 . . . . 0.0 114.851 167.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.93 -40.52 66.83 Favored 'General case' 0 CA--C 1.57 1.748 0 N-CA-C 117.099 2.259 . . . . 0.0 117.099 167.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 25.3 t-80 -57.56 -48.32 79.66 Favored 'General case' 0 N--CA 1.492 1.638 0 N-CA-C 114.794 1.405 . . . . 0.0 114.794 165.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -53.57 -45.64 70.02 Favored 'General case' 0 CA--C 1.576 1.946 0 N-CA-C 115.714 1.746 . . . . 0.0 115.714 168.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.19 -52.0 67.09 Favored 'General case' 0 N--CA 1.496 1.833 0 N-CA-C 114.979 1.474 . . . . 0.0 114.979 166.513 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -52.78 -41.97 64.6 Favored 'General case' 0 CA--C 1.574 1.88 0 N-CA-C 117.247 2.314 . . . . 0.0 117.247 166.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 58.4 m -62.01 -44.11 97.41 Favored 'General case' 0 CA--C 1.568 1.637 0 N-CA-C 116.289 1.959 . . . . 0.0 116.289 169.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -59.27 -44.34 92.46 Favored 'General case' 0 N--CA 1.502 2.14 0 CA-C-N 120.79 1.632 . . . . 0.0 115.25 164.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.9 mp -58.98 -35.2 72.79 Favored 'General case' 0 CA--C 1.569 1.682 0 N-CA-C 116.538 2.051 . . . . 0.0 116.538 167.033 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.3 mt -60.64 -51.26 81.04 Favored Pre-proline 0 CA--C 1.583 2.249 0 N-CA-C 119.868 3.284 . . . . 0.0 119.868 -174.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -96.76 93.94 0.08 OUTLIER 'Trans proline' 0 CA--C 1.57 2.294 0 CA-C-N 124.054 2.484 . . . . 0.0 117.496 -161.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -142.91 -55.91 0.42 Allowed 'General case' 0 N--CA 1.499 1.988 0 O-C-N 120.992 -1.067 . . . . 0.0 110.681 160.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -66.29 -47.74 72.67 Favored 'General case' 0 CA--C 1.578 2.022 0 O-C-N 121.042 -1.036 . . . . 0.0 113.596 168.216 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -94.02 80.52 4.1 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.562 -1.336 . . . . 0.0 111.822 153.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 31.4 tpt180 -67.48 -69.72 0.3 Allowed 'General case' 0 N--CA 1.498 1.972 0 O-C-N 120.005 -1.684 . . . . 0.0 115.201 -174.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 27.6 t -91.74 -56.18 3.2 Favored 'General case' 0 N--CA 1.495 1.795 0 N-CA-C 114.31 1.226 . . . . 0.0 114.31 177.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 16.3 m -79.43 105.22 8.5 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 O-C-N 120.912 -1.117 . . . . 0.0 111.617 178.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -82.9 81.68 8.5 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.082 -1.011 . . . . 0.0 111.789 -179.125 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 94.2 p -99.9 -48.69 4.59 Favored 'General case' 0 N--CA 1.494 1.766 0 N-CA-C 116.012 1.856 . . . . 0.0 116.012 -172.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 89.1 p -85.44 77.95 9.81 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.802 -1.187 . . . . 0.0 113.541 -177.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.9 mp -72.46 -67.41 0.55 Allowed 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 114.532 1.308 . . . . 0.0 114.532 -172.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 94.8 mtt-85 -79.1 66.61 4.59 Favored 'General case' 0 N--CA 1.504 2.238 0 CA-C-N 121.014 1.734 . . . . 0.0 112.809 174.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -172.21 -61.1 0.02 OUTLIER 'General case' 0 CA--C 1.564 1.495 0 C-N-CA 125.982 1.713 . . . . 0.0 109.235 -168.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -86.98 133.88 33.54 Favored 'General case' 0 CA--C 1.572 1.804 0 O-C-N 120.764 -1.21 . . . . 0.0 110.684 167.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 30.4 t -93.07 128.52 42.9 Favored Pre-proline 0 CA--C 1.58 2.105 1 O-C-N 114.336 -5.227 . . . . 0.0 113.897 38.246 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -90.19 169.12 4.27 Favored 'Trans proline' 0 CA--C 1.568 2.219 0 C-N-CA 122.782 2.321 . . . . 0.0 115.694 174.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . 0.26 20.3 p90 -56.24 -34.78 66.68 Favored 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 117.982 2.586 . . . . 0.0 117.982 167.42 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -53.01 -43.59 66.63 Favored 'General case' 0 N--CA 1.504 2.261 0 N-CA-C 116.248 1.944 . . . . 0.0 116.248 163.257 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 40.6 tp60 -73.45 -37.83 65.69 Favored 'General case' 0 CA--C 1.575 1.939 0 N-CA-C 116.297 1.962 . . . . 0.0 116.297 174.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 24.2 mm -60.62 -52.13 65.12 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.202 0 C-N-CA 124.222 1.009 . . . . 0.0 113.226 163.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.9 tt -56.8 -16.61 6.9 Favored 'General case' 0 CA--C 1.578 2.034 0 N-CA-C 117.773 2.508 . . . . 0.0 117.773 167.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.7 t -60.48 -29.89 69.34 Favored 'General case' 0 CA--C 1.572 1.821 0 N-CA-C 118.685 2.846 . . . . 0.0 118.685 176.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -95.87 145.87 30.32 Favored Pre-proline 0 CA--C 1.589 2.462 0 N-CA-C 115.643 1.72 . . . . 0.0 115.643 -174.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_exo -38.44 -60.8 0.43 Allowed 'Trans proline' 0 C--N 1.379 2.15 1 N-CA-C 124.237 4.668 . . . . 0.0 124.237 -169.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -82.21 19.82 1.13 Allowed 'General case' 0 N--CA 1.504 2.272 0 N-CA-C 116.587 2.069 . . . . 0.0 116.587 -177.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.0 mp -110.04 55.61 0.64 Allowed 'General case' 0 CA--C 1.576 1.976 0 O-C-N 120.145 -1.597 . . . . 0.0 110.568 174.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -131.51 -76.74 0.52 Allowed 'General case' 0 N--CA 1.495 1.804 0 C-N-CA 123.929 0.892 . . . . 0.0 108.964 -169.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -85.73 50.77 2.03 Favored 'General case' 0 CA--C 1.573 1.859 0 N-CA-C 114.2 1.185 . . . . 0.0 114.2 162.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -109.08 95.47 17.81 Favored Pre-proline 0 CA--C 1.568 1.668 0 N-CA-C 105.424 -2.065 . . . . 0.0 105.424 161.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -59.38 -20.87 58.25 Favored 'Trans proline' 0 CA--C 1.566 2.081 0 N-CA-C 118.411 2.427 . . . . 0.0 118.411 -174.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -88.5 2.7 52.37 Favored 'General case' 0 CA--C 1.568 1.639 0 N-CA-C 116.438 2.014 . . . . 0.0 116.438 173.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . 0.304 16.3 mmtt -63.51 -42.08 98.49 Favored 'General case' 0 N--CA 1.502 2.129 0 CA-C-N 124.132 3.151 . . . . 0.0 117.593 -178.562 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -64.72 -36.46 84.36 Favored 'General case' 0 N--CA 1.498 1.963 0 N-CA-C 115.774 1.768 . . . . 0.0 115.774 164.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -63.49 -47.66 80.85 Favored 'General case' 0 N--CA 1.498 1.974 0 N-CA-C 114.534 1.309 . . . . 0.0 114.534 170.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . 0.342 56.9 mt -47.89 -60.78 0.57 Allowed 'Isoleucine or valine' 0 CA--C 1.582 2.176 0 C-N-CA 125.944 1.698 . . . . 0.0 112.708 165.041 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 33.8 t -44.5 -45.09 9.05 Favored 'General case' 0 N--CA 1.501 2.089 0 N-CA-C 119.836 3.273 . . . . 0.0 119.836 165.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -66.2 -42.47 88.76 Favored 'General case' 0 N--CA 1.494 1.745 0 N-CA-C 116.43 2.011 . . . . 0.0 116.43 173.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 40.1 t -66.06 -40.97 88.68 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.118 0 CA-C-N 119.39 0.996 . . . . 0.0 113.467 169.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.504 ' CG ' HD22 ' A' ' 86' ' ' LEU . 17.0 m-30 -48.32 -54.98 11.86 Favored 'General case' 0 CA--C 1.574 1.886 0 N-CA-C 117.173 2.286 . . . . 0.0 117.173 169.544 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 32.5 t -126.74 -68.33 0.81 Allowed 'General case' 0 CA--C 1.561 1.38 0 C-N-CA 124.037 0.935 . . . . 0.0 109.361 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 23.9 m -96.93 -80.81 0.43 Allowed 'General case' 0 N--CA 1.494 1.773 1 O-C-N 114.1 -5.375 . . . . 0.0 109.229 -74.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . 0.657 94.1 p 89.07 -86.83 0.0 OUTLIER Pre-proline 0 CA--C 1.584 2.268 0 CA-C-O 115.643 -2.123 . . . . 0.0 114.376 -167.396 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -75.49 167.94 25.52 Favored 'Trans proline' 0 CA--C 1.572 2.424 0 CA-C-N 126.457 3.342 . . . . 0.0 116.538 176.263 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.02 127.97 34.12 Favored 'General case' 0 CA--C 1.57 1.718 0 O-C-N 120.662 -1.274 . . . . 0.0 114.217 175.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . 0.366 12.3 mptt 74.57 -37.18 0.35 Allowed 'General case' 0 N--CA 1.503 2.202 0 N-CA-C 117.277 2.325 . . . . 0.0 117.277 179.488 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -73.24 94.05 1.95 Allowed 'General case' 0 CA--C 1.577 1.994 0 CA-C-N 120.55 1.523 . . . . 0.0 110.957 164.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 30.2 t -138.34 -119.42 0.14 Allowed 'General case' 0 CA--C 1.57 1.72 0 CA-C-O 118.55 -0.738 . . . . 0.0 112.417 -160.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . 0.28 0.5 OUTLIER -83.71 90.44 7.3 Favored 'General case' 0 N--CA 1.491 1.617 0 CA-C-N 121.343 1.883 . . . . 0.0 113.839 -164.829 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 59.5 p -66.35 165.43 14.14 Favored 'General case' 0 CA--C 1.57 1.714 0 N-CA-C 114.521 1.304 . . . . 0.0 114.521 166.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . 0.265 43.0 t80 -60.78 -36.66 79.54 Favored 'General case' 0 N--CA 1.504 2.259 0 N-CA-C 117.191 2.293 . . . . 0.0 117.191 -178.416 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -55.27 -52.13 64.4 Favored 'General case' 0 N--CA 1.495 1.777 0 N-CA-C 115.036 1.495 . . . . 0.0 115.036 167.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -51.79 -51.89 53.0 Favored 'General case' 0 CA--C 1.571 1.762 0 N-CA-C 113.899 1.074 . . . . 0.0 113.899 161.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.466 ' HA ' ' CD2' ' A' ' 86' ' ' LEU 0.31 17.3 t80 -46.38 -41.57 13.77 Favored 'General case' 0 N--CA 1.499 1.979 0 N-CA-C 119.118 3.007 . . . . 0.0 119.118 172.085 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 97.4 mt -74.99 -53.4 9.01 Favored 'General case' 0 CA--C 1.565 1.543 0 N-CA-C 114.327 1.232 . . . . 0.0 114.327 169.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 -51.37 -41.72 60.85 Favored 'General case' 0 N--CA 1.498 1.926 0 N-CA-C 116.308 1.966 . . . . 0.0 116.308 177.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.504 HD22 ' CG ' ' A' ' 69' ' ' PHE . 3.6 pp -57.12 -56.52 20.76 Favored 'General case' 0 N--CA 1.496 1.862 0 N-CA-C 117.55 2.426 . . . . 0.0 117.55 169.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.427 ' N ' HD12 ' A' ' 86' ' ' LEU . 5.0 tt -71.71 -35.03 70.08 Favored 'General case' 0 N--CA 1.49 1.566 0 C-N-CA 124.754 1.222 . . . . 0.0 112.989 -176.569 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 33.2 t -42.57 -38.27 1.93 Allowed 'General case' 0 CA--C 1.566 1.59 0 N-CA-C 118.483 2.771 . . . . 0.0 118.483 155.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 49.7 t -59.78 -46.06 94.01 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.174 0 CA-C-N 120.346 1.43 . . . . 0.0 113.99 167.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -82.42 -5.17 58.49 Favored 'General case' 0 CA--C 1.578 2.044 0 N-CA-C 116.907 2.188 . . . . 0.0 116.907 173.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 27.3 t -62.82 133.16 54.32 Favored 'General case' 0 CA--C 1.562 1.42 0 O-C-N 119.768 -1.832 . . . . 0.0 112.771 -179.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -79.88 84.38 5.66 Favored 'General case' 0 CA--C 1.573 1.833 0 CA-C-O 122.047 0.927 . . . . 0.0 111.64 -170.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 54.3 m 157.69 -50.38 0.0 OUTLIER 'General case' 0 N--CA 1.509 2.517 0 C-N-CA 126.33 1.852 . . . . 0.0 107.97 -145.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.01 157.65 21.4 Favored 'General case' 0 CA--C 1.565 1.539 0 N-CA-C 116.887 2.18 . . . . 0.0 116.887 176.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 66.5 p -76.97 147.92 77.96 Favored Pre-proline 0 CA--C 1.574 1.894 0 N-CA-C 114.877 1.436 . . . . 0.0 114.877 -167.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -56.79 -32.37 91.33 Favored 'Trans proline' 0 CA--C 1.566 2.109 0 N-CA-C 118.45 2.442 . . . . 0.0 118.45 170.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -60.88 -51.98 67.0 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 114.712 1.375 . . . . 0.0 114.712 171.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . 0.318 7.5 tt -56.93 -37.12 52.76 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.375 0 CA-C-N 121.738 2.063 . . . . 0.0 116.097 172.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -64.11 -48.19 77.08 Favored 'General case' 0 CA--C 1.577 2.002 0 N-CA-C 115.418 1.636 . . . . 0.0 115.418 168.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 9.5 t -58.88 -40.4 84.29 Favored 'General case' 0 CA--C 1.576 1.964 0 N-CA-C 116.936 2.198 . . . . 0.0 116.936 165.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 41.7 m-70 -53.4 -48.52 68.6 Favored 'General case' 0 N--CA 1.502 2.134 0 N-CA-C 114.699 1.37 . . . . 0.0 114.699 163.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -59.55 -47.5 85.31 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 115.216 1.562 . . . . 0.0 115.216 170.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -51.33 -46.48 62.63 Favored 'General case' 0 CA--C 1.571 1.751 0 N-CA-C 116.196 1.924 . . . . 0.0 116.196 166.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.471 ' HB2' HD22 ' A' ' 162' ' ' LEU . 26.4 t80 -47.19 -54.48 10.6 Favored 'General case' 0 N--CA 1.498 1.94 0 N-CA-C 117.638 2.459 . . . . 0.0 117.638 161.347 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 90.2 mtt180 -65.08 -23.3 67.13 Favored 'General case' 0 CA--C 1.573 1.838 0 N-CA-C 116.023 1.86 . . . . 0.0 116.023 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 46.7 mm -63.76 -48.9 84.4 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.089 0 CA-C-N 120.39 1.45 . . . . 0.0 114.173 163.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -74.72 -36.97 62.69 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 115.968 1.84 . . . . 0.0 115.968 175.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -79.75 81.49 6.0 Favored 'General case' 0 CA--C 1.571 1.764 0 O-C-N 120.709 -1.244 . . . . 0.0 111.121 169.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . 0.253 49.6 p90 -78.52 -50.85 10.87 Favored 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 116.925 2.194 . . . . 0.0 116.925 -169.186 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -88.49 66.83 8.39 Favored 'General case' 0 CA--C 1.573 1.828 0 O-C-N 120.823 -1.173 . . . . 0.0 113.685 -175.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . 0.25 20.1 m-20 69.83 -39.26 0.43 Allowed 'General case' 0 N--CA 1.505 2.31 0 N-CA-C 119.562 3.171 . . . . 0.0 119.562 165.511 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -70.56 -60.07 2.47 Favored 'General case' 0 CA--C 1.572 1.824 0 N-CA-C 117.384 2.364 . . . . 0.0 117.384 -158.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 129.73 -45.72 1.12 Allowed Glycine 0 N--CA 1.499 2.844 0 N-CA-C 116.388 1.315 . . . . 0.0 116.388 -162.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 71.7 p -87.42 95.92 10.19 Favored 'General case' 0 N--CA 1.492 1.675 0 CA-C-N 117.996 0.898 . . . . 0.0 111.199 -176.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.12 163.69 13.86 Favored 'General case' 0 CA--C 1.568 1.673 0 CA-C-O 122.002 0.906 . . . . 0.0 112.385 167.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 56.6 t-20 -67.94 139.95 56.42 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.019 -1.676 . . . . 0.0 111.763 173.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 39.3 ptt180 -39.93 -37.67 0.6 Allowed 'General case' 0 N--CA 1.498 1.953 0 N-CA-C 119.047 2.981 . . . . 0.0 119.047 165.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -58.61 -54.37 47.83 Favored 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 113.727 1.01 . . . . 0.0 113.727 167.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -54.51 -40.07 68.21 Favored 'General case' 0 N--CA 1.497 1.886 0 N-CA-C 115.974 1.842 . . . . 0.0 115.974 166.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.492 HD13 HG21 ' A' ' 160' ' ' ILE . 6.2 tt -58.64 -53.76 54.73 Favored 'General case' 0 N--CA 1.498 1.934 0 N-CA-C 116.07 1.878 . . . . 0.0 116.07 166.04 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 21.1 t -60.54 -40.98 93.51 Favored 'General case' 0 CA--C 1.568 1.64 0 O-C-N 120.452 -1.405 . . . . 0.0 114.75 172.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -58.98 -42.48 90.08 Favored 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 115.152 1.538 . . . . 0.0 115.152 165.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.465 HD11 ' HA ' ' A' ' 104' ' ' PHE 0.251 1.6 tt -53.42 -51.68 61.84 Favored 'General case' 0 N--CA 1.496 1.868 0 CA-C-N 120.996 1.725 . . . . 0.0 115.289 168.644 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 21.9 t -63.33 -40.65 89.82 Favored 'Isoleucine or valine' 0 CA--C 1.576 1.954 0 CA-C-O 118.014 -0.993 . . . . 0.0 112.801 173.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -74.08 -45.2 50.77 Favored 'General case' 0 N--CA 1.495 1.789 0 N-CA-C 117.113 2.264 . . . . 0.0 117.113 174.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 35.8 t -54.89 -26.17 33.95 Favored 'General case' 0 CA--C 1.576 1.95 0 N-CA-C 116.119 1.896 . . . . 0.0 116.119 167.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 94.8 mt -71.97 -67.38 0.54 Allowed 'General case' 0 CA--C 1.586 2.343 0 N-CA-C 115.167 1.543 . . . . 0.0 115.167 150.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . 0.271 1.4 t -75.53 89.53 2.71 Favored 'General case' 0 N--CA 1.503 2.2 0 CA-C-N 121.193 1.815 . . . . 0.0 113.111 -179.343 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 156.51 -62.9 0.33 Allowed Glycine 0 N--CA 1.49 2.252 0 N-CA-C 110.708 -0.957 . . . . 0.0 110.708 -148.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -59.66 -48.62 80.95 Favored 'General case' 0 CA--C 1.576 1.958 0 N-CA-C 115.101 1.519 . . . . 0.0 115.101 156.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -85.6 64.8 4.07 Favored Glycine 0 N--CA 1.495 2.58 0 N-CA-C 117.708 1.843 . . . . 0.0 117.708 -178.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 57.55 66.37 1.15 Allowed 'General case' 0 N--CA 1.499 1.982 0 N-CA-C 116.841 2.163 . . . . 0.0 116.841 171.012 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -118.0 105.39 11.83 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.177 -0.952 . . . . 0.0 110.853 178.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 10.5 t -73.59 174.25 8.57 Favored 'General case' 0 N--CA 1.499 1.991 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 162.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -55.24 -42.84 73.98 Favored 'General case' 0 N--CA 1.502 2.174 0 N-CA-C 116.851 2.167 . . . . 0.0 116.851 179.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 92.8 mt -64.26 -41.61 96.86 Favored 'General case' 0 N--CA 1.497 1.919 0 N-CA-C 115.904 1.816 . . . . 0.0 115.904 168.307 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 48.7 m -62.54 -46.41 88.51 Favored 'General case' 0 N--CA 1.497 1.893 0 N-CA-C 115.83 1.789 . . . . 0.0 115.83 169.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -58.23 -46.09 86.54 Favored 'General case' 0 CA--C 1.569 1.709 0 N-CA-C 116.594 2.072 . . . . 0.0 116.594 168.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 17.8 t -58.52 -51.83 68.23 Favored 'General case' 0 N--CA 1.497 1.884 0 N-CA-C 115.465 1.654 . . . . 0.0 115.465 167.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -53.35 -49.0 68.04 Favored 'General case' 0 CA--C 1.573 1.86 0 N-CA-C 116.292 1.96 . . . . 0.0 116.292 171.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 67.2 mtt -70.06 -33.55 72.08 Favored 'General case' 0 CA--C 1.571 1.779 0 N-CA-C 116.161 1.912 . . . . 0.0 116.161 173.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -67.55 -38.25 83.89 Favored 'General case' 0 N--CA 1.5 2.072 0 N-CA-C 115.972 1.842 . . . . 0.0 115.972 166.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -58.32 -39.01 78.27 Favored 'General case' 0 CA--C 1.58 2.106 0 N-CA-C 116.009 1.855 . . . . 0.0 116.009 161.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 4.7 tt -59.86 -48.73 80.5 Favored 'General case' 0 CA--C 1.575 1.929 0 N-CA-C 114.136 1.161 . . . . 0.0 114.136 164.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 58.6 mt -54.43 -42.74 60.15 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.381 0 N-CA-C 114.179 1.177 . . . . 0.0 114.179 169.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -52.7 -41.93 64.34 Favored 'General case' 0 N--CA 1.499 1.992 0 N-CA-C 116.112 1.893 . . . . 0.0 116.112 170.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 69.0 m-80 -68.31 -41.73 80.45 Favored 'General case' 0 N--CA 1.493 1.705 0 N-CA-C 115.348 1.61 . . . . 0.0 115.348 168.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 2.9 mm -62.04 -33.76 59.92 Favored 'Isoleucine or valine' 0 CA--C 1.584 2.282 0 CA-C-N 119.779 1.172 . . . . 0.0 113.98 169.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 77.3 mt -65.18 -30.34 71.24 Favored 'General case' 0 CA--C 1.572 1.818 0 N-CA-C 116.955 2.205 . . . . 0.0 116.955 166.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -58.63 -56.83 17.1 Favored 'General case' 0 N--CA 1.495 1.811 0 CA-C-N 120.42 1.464 . . . . 0.0 114.817 174.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -88.98 -37.8 14.93 Favored 'General case' 0 N--CA 1.497 1.889 0 N-CA-C 115.02 1.489 . . . . 0.0 115.02 -170.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 28.9 t -74.38 78.18 1.88 Allowed 'General case' 0 CA--C 1.574 1.868 0 O-C-N 120.346 -1.472 . . . . 0.0 110.409 149.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -63.41 110.8 2.05 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 115.115 1.524 . . . . 0.0 115.115 -155.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . 0.266 1.9 tp -83.26 -35.35 11.82 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.84 0 N-CA-C 116.458 2.021 . . . . 0.0 116.458 -176.713 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -82.68 127.07 33.05 Favored 'General case' 0 CA--C 1.568 1.64 0 O-C-N 120.823 -1.173 . . . . 0.0 110.85 172.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . 0.365 65.1 ttt180 97.42 -53.15 0.01 OUTLIER 'General case' 0 N--CA 1.505 2.276 0 C-N-CA 125.169 1.387 . . . . 0.0 112.43 -154.223 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -72.14 -63.92 1.05 Allowed 'General case' 0 CA--C 1.579 2.058 0 N-CA-C 115.42 1.637 . . . . 0.0 115.42 177.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . 79.04 -74.73 2.14 Favored Glycine 0 N--CA 1.495 2.571 0 N-CA-C 116.429 1.331 . . . . 0.0 116.429 -173.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' THR . . . . . . . . . . . . . 6.6 t -92.7 133.15 36.29 Favored 'General case' 0 N--CA 1.496 1.835 0 CA-C-O 121.659 0.743 . . . . 0.0 112.025 176.097 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' ILE . . . . . 0.492 HG21 HD13 ' A' ' 120' ' ' LEU . 10.5 tp -136.76 141.22 41.43 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 120.416 -1.428 . . . . 0.0 112.559 -155.37 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -84.85 120.01 25.98 Favored 'General case' 0 CA--C 1.576 1.968 0 O-C-N 121.326 -0.859 . . . . 0.0 111.003 162.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . 0.471 HD22 ' HB2' ' A' ' 104' ' ' PHE . 1.1 tp -69.43 -10.93 60.15 Favored 'General case' 0 N--CA 1.503 2.206 0 N-CA-C 115.269 1.581 . . . . 0.0 115.269 171.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 9.4 t -38.4 -49.0 1.42 Allowed 'General case' 0 N--CA 1.503 2.193 0 CA-C-N 123.529 2.877 . . . . 0.0 116.493 165.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -63.45 -53.73 47.61 Favored 'General case' 0 CA--C 1.569 1.681 0 N-CA-C 115.613 1.709 . . . . 0.0 115.613 164.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -63.88 -28.58 69.94 Favored 'General case' 0 CA--C 1.575 1.922 0 N-CA-C 117.982 2.586 . . . . 0.0 117.982 179.001 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 166' ' ' GLN . . . . . . . . . . . . 0.488 0.0 OUTLIER -68.29 -46.12 71.19 Favored 'General case' 0 N--CA 1.496 1.86 0 CA-C-N 123.341 2.791 . . . . 0.0 114.877 169.767 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 167' ' ' HIS . . . . . . . . . . . . . 59.3 m170 -54.68 -35.11 63.21 Favored 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 114.699 1.37 . . . . 0.0 114.699 172.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . 0.331 2.5 t -78.0 -31.28 16.64 Favored 'Isoleucine or valine' 0 CA--C 1.581 2.17 0 CA-C-O 117.046 -1.455 . . . . 0.0 114.587 169.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . 0.433 5.8 pt -72.33 -26.7 24.96 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.648 0 CA-C-N 123.641 2.928 . . . . 0.0 116.591 164.486 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 21.9 t -55.54 -8.51 0.37 Allowed 'General case' 0 CA--C 1.577 2.013 0 N-CA-C 119.273 3.064 . . . . 0.0 119.273 169.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 171' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -59.1 -49.08 79.24 Favored 'General case' 0 CA--C 1.578 2.029 0 N-CA-C 116.091 1.886 . . . . 0.0 116.091 158.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 172' ' ' SER . . . . . . . . . . . . . 47.3 t -158.03 -58.82 0.02 OUTLIER Pre-proline 0 CA--C 1.582 2.18 0 CA-C-O 116.008 -1.949 . . . . 0.0 116.123 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -83.48 127.62 4.48 Favored 'Trans proline' 0 CA--C 1.576 2.576 0 CA-C-N 125.507 3.002 . . . . 0.0 116.196 -163.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -154.77 -78.18 0.1 Allowed 'General case' 0 CA--C 1.574 1.888 1 O-C-N 113.057 -6.027 . . . . 0.0 108.726 -9.594 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -68.7 -9.89 53.09 Favored 'General case' 0 N--CA 1.497 1.878 0 N-CA-C 117.394 2.368 . . . . 0.0 117.394 178.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -46.97 -33.65 4.85 Favored 'General case' 0 CA--C 1.575 1.936 0 N-CA-C 117.705 2.483 . . . . 0.0 117.705 158.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 99.7 p -54.67 -63.88 1.01 Allowed 'General case' 0 CA--C 1.574 1.891 0 N-CA-C 116.66 2.096 . . . . 0.0 116.66 161.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 60.6 p -98.16 40.69 1.16 Allowed 'General case' 0 CA--C 1.575 1.918 0 N-CA-C 116.822 2.156 . . . . 0.0 116.822 178.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -87.84 72.87 9.32 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 120.387 -1.446 . . . . 0.0 109.891 172.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.92 166.4 22.78 Favored 'General case' 0 CA--C 1.566 1.594 0 N-CA-C 114.902 1.445 . . . . 0.0 114.902 -157.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 181' ' ' ILE . . . . . . . . . . . . . 10.1 tp -120.89 156.97 24.17 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.865 0 C-N-CA 124.386 1.075 . . . . 0.0 111.83 177.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 95.7 t -95.49 123.01 47.48 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.976 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 161.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 46.0 tp . . . . . 0 CA--C 1.566 1.572 0 C-N-CA 123.347 0.659 . . . . 0.0 110.526 171.638 . . . . . . . . 0 0 . 1 stop_ save_