data_2n7c_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 2n7c _Structure_validation_residue.Date_analyzed 2016-10-15 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 ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.534 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 19.3 m -67.27 167.58 12.07 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 125.123 1.369 . . . . 0.0 113.489 176.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . 0.49 ' CG ' ' H ' ' A' ' 1' ' ' MET . 53.5 t60 65.36 176.25 0.21 Allowed 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 127.049 2.14 . . . . 0.0 114.369 179.676 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.49 ' H ' ' CG ' ' A' ' 0' ' ' HIS . 27.5 ttt -63.21 97.05 0.11 Allowed 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.877 1.671 . . . . 0.0 111.838 -178.281 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 8.0 p -78.84 -28.78 14.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 C-N-CA 124.893 1.277 . . . . 0.0 113.926 -171.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 15.3 mt 56.92 80.04 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 126.848 2.059 . . . . 0.0 111.856 -177.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 59.36 -172.61 0.11 Allowed 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 126.142 1.777 . . . . 0.0 112.893 -174.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 58.29 -178.78 0.07 Allowed 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 125.873 1.669 . . . . 0.0 113.871 -172.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.0 t 60.94 179.87 0.11 Allowed 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.857 1.663 . . . . 0.0 113.619 -167.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 6.9 t -137.86 125.13 29.13 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 125.149 1.379 . . . . 0.0 109.754 179.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.1 t -70.21 150.7 46.17 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.812 0.845 . . . . 0.0 112.328 -179.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.1 mtt180 -143.57 162.36 36.1 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.673 1.189 . . . . 0.0 111.284 176.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 31.6 mm -104.4 141.94 18.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 C-N-CA 125.741 1.616 . . . . 0.0 109.062 165.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -114.94 132.05 56.69 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.204 1.001 . . . . 0.0 110.28 161.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.2 p -124.08 137.69 56.23 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 C-N-CA 125.613 1.565 . . . . 0.0 109.22 169.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -138.28 172.45 22.96 Favored Glycine 0 CA--C 1.523 0.593 0 C-N-CA 126.086 1.803 . . . . 0.0 111.989 -178.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 55.7 m-20 48.36 35.41 5.68 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 123.736 0.814 . . . . 0.0 111.299 -170.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.6 pp -68.39 150.8 97.57 Favored Pre-proline 0 CA--C 1.547 0.853 0 O-C-N 121.308 -0.87 . . . . 0.0 112.897 -165.133 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -63.69 125.16 14.93 Favored 'Trans proline' 0 CA--C 1.537 0.645 0 C-N-CA 123.147 2.565 . . . . 0.0 111.586 -177.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.3 m 49.66 -104.1 0.13 Allowed 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 126.049 1.74 . . . . 0.0 112.586 -175.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 34.6 p-80 -153.84 118.37 4.91 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.88 1.672 . . . . 0.0 109.408 173.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 34.6 m -85.5 148.33 4.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 123.688 0.795 . . . . 0.0 111.623 176.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 73.4 m -90.03 138.67 31.31 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.435 0.694 . . . . 0.0 109.798 161.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 63.9 p -55.45 -36.37 66.48 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.248 1.019 . . . . 0.0 113.197 -179.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -66.23 -33.12 75.03 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.54 1.536 . . . . 0.0 113.193 176.55 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -73.02 -42.32 63.32 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.247 0.619 . . . . 0.0 111.716 -179.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -73.84 -31.71 32.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 O-C-N 121.931 -0.48 . . . . 0.0 111.661 177.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -55.78 -41.21 73.73 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.825 0.85 . . . . 0.0 111.797 168.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -63.08 -23.0 67.24 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 123.739 0.816 . . . . 0.0 112.877 177.44 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 50.1 tt0 -89.64 -49.84 6.42 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.356 1.062 . . . . 0.0 112.379 173.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -67.6 -27.98 67.36 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 114.204 1.187 . . . . 0.0 114.204 -175.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -53.61 -24.4 13.9 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 115.507 1.669 . . . . 0.0 115.507 -176.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.83 -27.44 65.84 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 119.126 0.875 . . . . 0.0 113.276 178.535 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -82.51 -3.37 55.77 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 124.957 1.303 . . . . 0.0 113.631 176.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 141.53 163.31 9.52 Favored Glycine 0 CA--C 1.531 1.09 0 C-N-CA 125.409 1.48 . . . . 0.0 112.439 -177.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -66.11 138.38 57.7 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.675 -0.897 . . . . 0.0 111.601 178.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -100.63 132.36 46.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 C-N-CA 126.119 1.768 . . . . 0.0 110.238 176.2 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -93.58 -34.89 13.15 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.267 1.027 . . . . 0.0 112.625 -176.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -156.42 151.96 26.91 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 126.455 1.902 . . . . 0.0 110.565 177.624 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 24.7 p -148.13 155.29 41.25 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.095 0.958 . . . . 0.0 111.001 169.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -159.39 166.95 29.97 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.078 0.951 . . . . 0.0 112.637 -179.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 19.3 m -130.45 149.14 33.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 C-N-CA 125.338 1.455 . . . . 0.0 112.255 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 53.0 mmtt -143.3 170.56 15.54 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 126.742 2.017 . . . . 0.0 111.357 -175.225 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.73 157.26 43.05 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.926 1.291 . . . . 0.0 113.223 174.618 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.3 t -105.11 154.61 19.93 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 125.281 1.432 . . . . 0.0 111.576 172.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 34.8 m -62.05 -17.06 17.01 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 124.67 1.188 . . . . 0.0 113.169 170.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 18.3 t -68.95 -14.2 62.9 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 124.604 1.162 . . . . 0.0 113.338 169.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 100.63 -11.22 59.46 Favored Glycine 0 CA--C 1.536 1.382 0 C-N-CA 126.099 1.809 . . . . 0.0 115.377 174.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.52 157.83 36.85 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 118.689 1.245 . . . . 0.0 112.545 171.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -125.98 157.66 37.26 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.245 1.418 . . . . 0.0 112.204 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -138.14 153.38 49.23 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 125.878 1.671 . . . . 0.0 111.545 -172.104 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -144.11 151.07 39.09 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.271 1.028 . . . . 0.0 111.923 171.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.411 ' CZ ' " H1'" ' B' ' 103' ' ' ' A' . 55.2 m-85 -136.32 130.11 32.42 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 125.409 1.484 . . . . 0.0 109.803 -170.352 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.3 mp -139.16 112.1 6.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 123.984 0.914 . . . . 0.0 110.311 -167.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -78.48 153.38 31.44 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.206 1.402 . . . . 0.0 112.974 -177.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -139.39 145.07 38.49 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.007 1.323 . . . . 0.0 113.289 -179.106 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -70.29 -21.79 62.92 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 115.083 1.512 . . . . 0.0 115.083 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -149.95 142.46 24.41 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.328 1.451 . . . . 0.0 111.86 172.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.21 -46.24 51.58 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 114.352 1.241 . . . . 0.0 114.352 -172.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -73.03 -27.77 61.95 Favored 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 -169.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -74.6 -40.65 61.45 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 123.072 0.549 . . . . 0.0 111.034 173.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.58 -26.56 67.17 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.28 1.032 . . . . 0.0 113.694 173.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.96 -26.77 68.4 Favored 'General case' 0 CA--C 1.544 0.724 0 O-C-N 121.106 -0.996 . . . . 0.0 113.524 178.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -65.13 -27.67 68.9 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.112 -0.992 . . . . 0.0 112.978 172.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -73.96 -50.16 21.28 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 118.597 0.635 . . . . 0.0 111.096 168.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -61.48 -35.9 69.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 O-C-N 121.424 -0.797 . . . . 0.0 112.074 -174.591 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.63 -26.54 50.63 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 114.495 1.295 . . . . 0.0 114.495 178.626 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -85.62 -32.18 22.19 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 119.82 1.191 . . . . 0.0 112.071 176.017 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 11.3 mmpt? -76.09 4.47 8.42 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 126.198 1.799 . . . . 0.0 114.251 170.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -67.76 173.01 4.66 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 114.913 1.449 . . . . 0.0 114.913 -173.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 81.2 87.59 0.63 Allowed Glycine 0 CA--C 1.533 1.212 0 C-N-CA 125.063 1.316 . . . . 0.0 112.998 177.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 29.9 p -68.3 157.78 34.85 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.673 0.789 . . . . 0.0 112.726 174.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -146.75 151.24 36.85 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.255 1.422 . . . . 0.0 112.062 -170.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.9 p90 -164.85 169.3 16.78 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.602 1.561 . . . . 0.0 111.765 -166.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 58.64 29.36 18.43 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 125.568 1.547 . . . . 0.0 114.968 175.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 163.25 -22.69 0.18 Allowed Glycine 0 CA--C 1.537 1.447 0 C-N-CA 124.731 1.157 . . . . 0.0 114.371 177.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 29.3 t30 -141.13 146.05 36.54 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.871 1.668 . . . . 0.0 110.316 174.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -107.21 108.17 19.46 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 126.012 1.725 . . . . 0.0 110.178 -178.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.2 mt -169.13 140.48 2.42 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 126.119 1.768 . . . . 0.0 110.785 163.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 13.3 ttm180 -152.11 137.86 17.94 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.832 1.653 . . . . 0.0 110.34 175.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 43.7 t -141.2 131.14 25.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 124.183 0.993 . . . . 0.0 109.274 175.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -154.87 156.6 36.46 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.781 1.232 . . . . 0.0 110.912 -174.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 7.3 p -128.1 87.97 54.1 Favored Pre-proline 0 CA--C 1.544 0.722 0 C-N-CA 124.727 1.211 . . . . 0.0 110.561 -179.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -68.6 -40.95 6.77 Favored 'Trans proline' 0 CA--C 1.542 0.911 0 C-N-CA 122.136 1.891 . . . . 0.0 111.758 174.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -77.67 51.72 0.94 Allowed 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 127.676 2.39 . . . . 0.0 112.326 173.074 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -77.29 67.52 3.25 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.28 1.432 . . . . 0.0 112.49 -178.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.29 150.11 44.01 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 124.253 1.021 . . . . 0.0 112.932 179.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 32.8 mtt180 57.75 31.25 20.18 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 126.453 1.901 . . . . 0.0 115.024 174.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 . . . . . 0 C--O 1.252 1.198 0 C-N-CA 124.646 1.178 . . . . 0.0 114.125 175.508 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 101' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.102 0 C3'-C2'-C1' 99.417 -2.315 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 102' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.35 0 C4'-C3'-C2' 99.038 -3.662 . 0.037 7r . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 103' ' ' ' A' . . . . . 0.411 " H1'" ' CZ ' ' A' ' 50' ' ' PHE . . . . . . . . 0 O4'--C4' 1.419 -2.827 1 O4'-C1'-N19 114.209 6.009 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.151 3 C4'-C3'-C2' 97.196 -5.504 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 105' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.854 4 P-O3'-C3' 126.765 5.888 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 106' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.239 0 C5'-C4'-O4' 114.065 3.475 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.733 0 N-CA-C 111.377 -0.689 . . . . 0.0 111.377 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 16.6 m 63.96 154.09 0.05 Allowed 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 126.906 2.083 . . . . 0.0 114.97 -172.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -150.12 79.46 1.36 Allowed 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.635 1.174 . . . . 0.0 111.588 -178.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.4 ptt? -158.06 161.55 38.03 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.59 1.556 . . . . 0.0 111.161 176.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.9 p -142.43 119.62 6.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 124.518 1.127 . . . . 0.0 110.707 173.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 20.8 pt -151.38 158.59 4.62 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 127.459 2.304 . . . . 0.0 109.832 -173.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 90.0 mtm-85 -78.86 32.26 0.2 Allowed 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 125.347 1.459 . . . . 0.0 114.062 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -158.63 -175.52 5.36 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 126.967 2.107 . . . . 0.0 110.545 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.5 t -145.57 143.95 30.21 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.138 0.975 . . . . 0.0 110.856 171.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 61.4 t -107.56 115.92 49.89 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 124.805 1.242 . . . . 0.0 110.689 -175.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.3 p -72.87 139.67 47.05 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.935 1.294 . . . . 0.0 111.04 170.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.5 ptt180 -150.86 126.66 10.31 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.606 1.162 . . . . 0.0 111.547 178.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 77.1 mt -77.4 146.39 8.57 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 C-N-CA 125.444 1.498 . . . . 0.0 109.512 -177.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -131.16 137.5 49.03 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.058 1.343 . . . . 0.0 111.741 177.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 33.3 m -132.91 138.4 51.85 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 124.549 1.139 . . . . 0.0 109.467 164.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -132.47 168.84 22.53 Favored Glycine 0 CA--C 1.526 0.749 0 C-N-CA 124.881 1.229 . . . . 0.0 113.793 -169.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 14.9 m120 52.3 30.21 7.69 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 123.912 0.885 . . . . 0.0 111.884 -170.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.7 tp -77.68 120.42 81.31 Favored Pre-proline 0 CA--C 1.547 0.858 0 C-N-CA 125.433 1.493 . . . . 0.0 111.066 -165.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -71.37 163.8 37.85 Favored 'Trans proline' 0 CA--C 1.54 0.789 0 C-N-CA 122.863 2.375 . . . . 0.0 111.564 172.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 51.1 m -61.45 109.0 1.04 Allowed 'General case' 0 N--CA 1.473 0.717 0 O-C-N 121.516 -0.74 . . . . 0.0 110.598 174.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 10.8 t-160 -151.14 -69.15 0.18 Allowed 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 124.906 1.283 . . . . 0.0 110.802 -168.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.6 m -103.89 115.89 46.66 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 C-N-CA 125.303 1.441 . . . . 0.0 110.494 177.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 89.6 p -74.38 165.07 25.82 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.06 0.944 . . . . 0.0 110.649 167.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 41.7 t -50.86 -40.03 55.26 Favored 'General case' 0 N--CA 1.48 1.026 0 O-C-N 120.914 -1.116 . . . . 0.0 113.993 -175.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -68.9 -36.48 78.09 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 124.354 1.062 . . . . 0.0 112.483 177.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -76.29 -35.81 58.68 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.103 0.961 . . . . 0.0 112.089 176.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 77.5 t -59.46 -48.09 88.45 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 124.223 1.009 . . . . 0.0 109.812 169.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 56.6 tt0 -57.82 -52.25 66.24 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 121.766 -0.584 . . . . 0.0 111.587 175.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -63.15 -34.35 77.44 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 113.127 0.788 . . . . 0.0 113.127 -178.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.1 tp10 -68.76 -52.5 29.83 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.322 1.049 . . . . 0.0 111.816 173.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -72.04 -19.02 61.9 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 114.575 1.324 . . . . 0.0 114.575 -174.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 66.3 mtp180 -56.17 -25.17 45.57 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-N 120.316 1.416 . . . . 0.0 114.443 174.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.96 -25.14 52.47 Favored 'General case' 0 N--CA 1.486 1.338 0 CA-C-N 119.824 1.193 . . . . 0.0 113.472 173.189 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -76.53 -38.57 54.88 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.278 1.431 . . . . 0.0 110.425 176.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 167.15 -175.66 42.25 Favored Glycine 0 CA--C 1.535 1.299 0 C-N-CA 124.861 1.22 . . . . 0.0 113.167 178.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -75.22 115.56 15.0 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 121.878 -0.778 . . . . 0.0 111.94 -179.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -84.31 137.41 20.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 126.761 2.025 . . . . 0.0 111.234 172.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -105.08 -37.87 6.78 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.101 1.36 . . . . 0.0 113.11 175.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -149.7 142.19 24.37 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 126.762 2.025 . . . . 0.0 109.464 -178.319 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 42.2 t -146.68 118.41 8.08 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.301 1.04 . . . . 0.0 110.038 -174.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -150.67 155.33 39.12 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.629 1.172 . . . . 0.0 112.292 -176.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 18.3 t -124.7 132.67 71.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 125.319 1.447 . . . . 0.0 109.955 -177.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.482 ' HE3' ' CD1' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -122.81 166.38 15.08 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.972 1.709 . . . . 0.0 110.827 -178.48 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.04 152.95 42.45 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 124.468 1.107 . . . . 0.0 113.451 179.261 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.7 t -98.59 159.57 14.86 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 124.905 1.282 . . . . 0.0 111.767 174.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.8 p -59.3 -24.13 26.94 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 125.246 1.419 . . . . 0.0 112.882 172.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 12.9 t -69.61 -11.79 61.12 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 124.635 1.174 . . . . 0.0 113.709 172.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 97.15 -9.57 65.38 Favored Glycine 0 CA--C 1.536 1.361 0 C-N-CA 125.909 1.719 . . . . 0.0 115.626 174.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.38 154.15 41.79 Favored 'General case' 0 CA--C 1.545 0.753 0 CA-C-N 118.809 1.305 . . . . 0.0 112.246 171.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -129.49 159.84 35.03 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.794 1.238 . . . . 0.0 112.71 179.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -146.92 125.02 12.09 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 125.092 1.357 . . . . 0.0 110.253 -167.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -103.76 137.32 41.94 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.645 0.778 . . . . 0.0 111.014 175.016 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.482 ' CD1' ' HE3' ' A' ' 40' ' ' LYS . 76.1 m-85 -129.23 133.81 47.69 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 124.728 1.211 . . . . 0.0 110.331 179.62 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.7 mp -132.97 106.77 10.75 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 C-N-CA 124.265 1.026 . . . . 0.0 109.874 -170.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -75.13 132.66 41.37 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.86 1.264 . . . . 0.0 111.761 -177.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -135.05 138.76 44.21 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 114.097 1.147 . . . . 0.0 114.097 -158.581 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 30.0 tp10 -76.56 -37.51 56.45 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 113.494 0.924 . . . . 0.0 113.494 -177.132 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -132.69 114.0 13.66 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.349 1.459 . . . . 0.0 112.524 -172.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.69 -47.32 60.46 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.054 0.941 . . . . 0.0 113.399 178.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 50.4 mtt-85 -66.3 -38.0 86.71 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.687 0.795 . . . . 0.0 113.046 -174.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 41.4 t0 -67.77 -42.13 82.18 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.381 0.672 . . . . 0.0 111.335 175.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.98 -37.68 81.79 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 113.407 0.892 . . . . 0.0 113.407 177.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.21 -40.46 77.5 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 113.701 1.0 . . . . 0.0 113.701 -172.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -68.2 -27.84 66.74 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 113.791 1.034 . . . . 0.0 113.791 176.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -84.31 -28.77 26.88 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.065 0.946 . . . . 0.0 112.709 172.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -76.42 -38.21 31.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 O-C-N 121.047 -1.033 . . . . 0.0 111.813 176.759 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.75 -23.15 63.34 Favored 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 114.148 1.166 . . . . 0.0 114.148 -175.672 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -72.53 -11.76 60.79 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 170.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 11.8 mmpt? -96.87 6.88 47.83 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 125.831 1.653 . . . . 0.0 113.376 172.061 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 18.5 p-10 -68.73 172.37 6.48 Favored 'General case' 0 CA--C 1.551 0.997 0 N-CA-C 114.817 1.414 . . . . 0.0 114.817 -173.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 82.99 96.69 0.55 Allowed Glycine 0 CA--C 1.534 1.245 0 C-N-CA 125.373 1.463 . . . . 0.0 111.924 -176.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 24.4 p -71.69 137.71 48.01 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-O 122.023 0.916 . . . . 0.0 112.975 -177.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -90.23 126.09 35.71 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 126.334 1.854 . . . . 0.0 111.117 172.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 44.5 p90 -151.56 158.1 43.1 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 126.822 2.049 . . . . 0.0 110.421 175.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 48.6 tt0 57.95 88.23 0.06 Allowed 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 126.305 1.842 . . . . 0.0 113.415 -175.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 88.8 -7.15 82.76 Favored Glycine 0 CA--C 1.538 1.531 0 C-N-CA 125.043 1.306 . . . . 0.0 114.999 -178.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 12.6 p30 -146.27 158.15 43.86 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 126.422 1.889 . . . . 0.0 110.348 169.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.78 101.74 4.39 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 125.327 1.451 . . . . 0.0 111.241 -165.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -174.11 99.33 0.1 Allowed 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.706 1.602 . . . . 0.0 110.519 171.016 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 45.9 ttm-85 -91.38 138.22 31.75 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 120.882 -1.136 . . . . 0.0 110.341 168.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 67.9 t -136.66 119.73 21.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 125.2 1.4 . . . . 0.0 109.176 179.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 67.4 tt0 -159.22 130.12 6.03 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.464 0.706 . . . . 0.0 112.005 -174.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.4 m -93.42 114.86 64.03 Favored Pre-proline 0 N--CA 1.472 0.669 0 O-C-N 121.572 -0.705 . . . . 0.0 110.397 169.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -67.85 -27.71 37.0 Favored 'Trans proline' 0 CA--C 1.541 0.869 0 C-N-CA 122.605 2.203 . . . . 0.0 112.878 -179.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 52.3 p90 -77.9 -31.69 51.35 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.557 1.143 . . . . 0.0 113.338 177.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 57.5 m-80 59.49 -54.26 0.06 Allowed 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 128.369 2.668 . . . . 0.0 116.073 -171.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -156.52 179.73 8.98 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 126.034 1.734 . . . . 0.0 112.068 -175.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.16 145.07 49.54 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 126.391 1.877 . . . . 0.0 110.633 172.592 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 . . . . . 0 C--O 1.253 1.242 0 C-N-CA 125.671 1.588 . . . . 0.0 112.189 177.971 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 101' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.45 1 O4'-C1'-N19 112.453 4.253 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 102' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.328 3 P-O3'-C3' 126.987 6.073 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 103' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.508 0 O4'-C1'-N19 111.858 3.658 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.814 1 O4'-C1'-N19 114.981 6.781 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 105' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.724 0 O5'-C5'-C4' 114.144 2.817 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 106' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.163 0 O4'-C1'-N19 110.967 2.767 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.824 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 38.8 t -161.58 152.86 18.54 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.336 1.054 . . . . 0.0 111.255 178.138 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 1.2 p80 -86.94 -179.15 6.45 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 124.901 1.28 . . . . 0.0 112.865 -173.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 90.4 mtp -144.79 135.18 24.31 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.598 1.159 . . . . 0.0 111.28 177.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 5.5 p -79.56 144.08 11.48 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 O-C-N 121.318 -0.864 . . . . 0.0 109.595 155.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 64.9 mt -135.05 -72.73 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 124.55 1.14 . . . . 0.0 108.467 174.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 25.7 mtt180 -139.99 151.18 45.28 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 128.26 2.624 . . . . 0.0 108.446 173.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 54.04 -0.05 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.375 0 C-N-CA 128.074 2.55 . . . . 0.0 117.3 177.285 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.9 t 67.15 119.24 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 127.44 2.296 . . . . 0.0 113.328 -165.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 3.2 t -84.52 65.56 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 123.891 0.877 . . . . 0.0 111.866 -166.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.0 p -65.74 133.19 50.53 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.994 1.317 . . . . 0.0 111.986 174.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.8 ptt180 -165.05 129.17 2.41 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 -170.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.2 mt -68.78 145.59 13.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 C-N-CA 123.78 0.832 . . . . 0.0 109.498 168.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -116.81 147.44 42.1 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.707 1.603 . . . . 0.0 110.11 172.505 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.7 p -138.19 134.96 44.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 C-N-CA 123.617 0.767 . . . . 0.0 110.331 166.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -130.58 158.48 22.53 Favored Glycine 0 CA--C 1.524 0.643 0 C-N-CA 125.549 1.547 . . . . 0.0 112.359 178.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 13.6 m120 52.84 42.0 31.87 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.771 0.828 . . . . 0.0 111.13 -173.335 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.5 pp -76.42 155.12 83.95 Favored Pre-proline 0 CA--C 1.546 0.818 0 C-N-CA 124.997 1.319 . . . . 0.0 112.679 -174.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -68.0 123.26 10.45 Favored 'Trans proline' 0 CA--C 1.54 0.784 0 C-N-CA 123.033 2.489 . . . . 0.0 111.741 174.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 17.5 m 55.24 -113.62 0.8 Allowed 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.423 1.489 . . . . 0.0 112.807 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 5.8 p-80 -163.46 68.38 0.2 Allowed 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 126.785 2.034 . . . . 0.0 109.103 178.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 14.9 p -57.09 131.86 21.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 123.91 0.884 . . . . 0.0 112.762 -174.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.28 142.95 52.21 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 124.373 1.069 . . . . 0.0 113.753 -170.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 68.1 m -50.9 -37.35 43.3 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 114.895 1.443 . . . . 0.0 114.895 -176.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.85 -26.12 49.15 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 -177.643 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -68.96 -47.81 64.72 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 118.27 0.486 . . . . 0.0 110.481 170.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 27.0 m -71.11 -21.98 22.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 176.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -61.39 -33.33 73.49 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 119.505 1.048 . . . . 0.0 111.865 169.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 29.6 m-80 -71.15 -51.68 23.58 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 121.079 -1.013 . . . . 0.0 111.413 171.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -64.0 -41.17 97.58 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 113.139 0.792 . . . . 0.0 113.139 -172.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -75.95 -11.38 59.95 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 115.066 1.506 . . . . 0.0 115.066 -178.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.7 mtp-105 -64.12 -19.7 65.46 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-N 120.218 1.372 . . . . 0.0 113.433 172.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 51.9 tttt -55.79 -32.71 63.74 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 124.311 1.045 . . . . 0.0 112.766 165.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -98.13 -37.26 9.79 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.588 1.155 . . . . 0.0 111.607 -167.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 176.26 177.36 45.2 Favored Glycine 0 CA--C 1.534 1.224 0 C-N-CA 125.129 1.347 . . . . 0.0 112.266 177.169 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 29.8 m-20 -77.77 86.38 4.04 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 118.204 1.002 . . . . 0.0 111.42 178.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.51 137.75 9.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 128.083 2.553 . . . . 0.0 113.51 177.283 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 88.8 mt -111.85 -29.67 7.58 Favored 'General case' 0 CA--C 1.548 0.904 0 N-CA-C 115.572 1.693 . . . . 0.0 115.572 -173.28 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.2 mmmm -153.77 150.59 28.65 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 128.693 2.797 . . . . 0.0 109.218 178.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 7.3 p -154.68 116.74 4.21 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.613 1.565 . . . . 0.0 111.582 175.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -147.78 140.07 24.39 Favored 'General case' 0 N--CA 1.478 0.962 0 O-C-N 120.54 -1.35 . . . . 0.0 113.843 -179.165 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 61.9 t -83.82 154.15 3.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 C-N-CA 127.171 2.188 . . . . 0.0 111.117 172.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.26 159.45 42.2 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 127.578 2.351 . . . . 0.0 110.152 172.79 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.78 146.3 52.07 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.923 1.289 . . . . 0.0 111.436 166.33 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 52.6 p -100.25 166.61 10.9 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 124.488 1.115 . . . . 0.0 112.242 176.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 23.0 m -65.37 -15.46 18.52 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.357 0 N-CA-C 115.014 1.487 . . . . 0.0 115.014 -178.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 23.0 t -80.0 -21.12 43.99 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.924 0.89 . . . . 0.0 112.426 169.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 107.53 -4.12 34.75 Favored Glycine 0 CA--C 1.53 1.013 0 C-N-CA 126.099 1.809 . . . . 0.0 115.384 178.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.76 134.49 52.29 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 118.893 1.346 . . . . 0.0 111.537 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -102.62 138.26 39.76 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.243 1.417 . . . . 0.0 112.178 -177.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -143.27 156.11 44.65 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 125.375 1.47 . . . . 0.0 111.078 -173.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -146.61 155.77 42.72 Favored 'General case' 0 CA--C 1.532 0.26 0 O-C-N 121.299 -0.876 . . . . 0.0 111.574 171.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.449 ' CD2' ' C8 ' ' B' ' 103' ' ' ' A' . 89.4 m-85 -138.14 137.72 37.94 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 123.939 0.895 . . . . 0.0 110.527 -177.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.7 mp -134.46 119.59 30.23 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 C-N-CA 125.029 1.332 . . . . 0.0 109.885 -171.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -80.89 131.88 35.4 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 126.011 1.725 . . . . 0.0 112.065 -171.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -132.77 155.58 48.63 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.933 1.693 . . . . 0.0 113.179 -155.404 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -123.8 -51.21 1.82 Allowed 'General case' 0 CA--C 1.55 0.965 0 N-CA-C 116.087 1.884 . . . . 0.0 116.087 -152.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.7 p-10 -121.7 78.39 1.45 Allowed 'General case' 0 N--CA 1.477 0.923 0 O-C-N 120.002 -1.686 . . . . 0.0 111.78 -178.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -52.28 -41.98 63.33 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 114.482 1.29 . . . . 0.0 114.482 -164.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.2 -26.83 61.31 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.646 1.178 . . . . 0.0 113.494 -176.178 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.0 -49.67 8.72 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.915 1.286 . . . . 0.0 109.677 173.086 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.33 -32.33 64.57 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.649 1.18 . . . . 0.0 113.348 176.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.26 -33.23 65.26 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.677 1.191 . . . . 0.0 113.341 173.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -70.16 -31.56 69.11 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 119.271 0.941 . . . . 0.0 112.426 -179.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -79.73 -21.0 45.05 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.186 0.994 . . . . 0.0 112.539 169.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -82.28 -40.61 17.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 124.221 1.009 . . . . 0.0 112.826 177.643 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.61 -25.55 68.15 Favored 'General case' 0 N--CA 1.483 1.185 0 N-CA-C 114.138 1.162 . . . . 0.0 114.138 -174.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -77.05 -21.19 54.86 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.087 0.955 . . . . 0.0 112.866 173.192 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.6 mmpt? -95.81 -10.63 28.52 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.082 1.353 . . . . 0.0 113.839 -179.236 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -64.05 174.32 1.58 Allowed 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 114.21 1.189 . . . . 0.0 114.21 -173.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 89.76 83.89 1.34 Allowed Glycine 0 C--N 1.335 0.481 0 N-CA-C 110.175 -1.17 . . . . 0.0 110.175 -167.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 20.6 p -57.01 144.73 32.99 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.881 0.872 . . . . 0.0 110.537 173.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -138.82 149.99 45.55 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 114.194 1.183 . . . . 0.0 114.194 -175.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 4.1 p90 -160.14 166.35 29.92 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.7 1.6 . . . . 0.0 111.389 -156.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 58.2 93.47 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 126.69 1.996 . . . . 0.0 113.579 -178.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 75.49 -51.5 2.59 Favored Glycine 0 CA--C 1.534 1.227 0 O-C-N 121.354 -0.841 . . . . 0.0 112.031 -168.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 13.4 m-20 -71.97 143.75 49.13 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.927 0.891 . . . . 0.0 110.113 166.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.39 87.72 2.42 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 125.949 1.7 . . . . 0.0 109.704 -174.228 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -160.61 53.05 0.3 Allowed 'General case' 0 CA--C 1.555 1.154 0 N-CA-C 115.188 1.551 . . . . 0.0 115.188 -167.236 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 49.5 ttm-85 -84.38 81.6 8.76 Favored 'General case' 0 N--CA 1.483 1.208 0 O-C-N 119.17 -2.207 . . . . 0.0 110.681 165.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 53.0 t -81.77 131.46 33.78 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 157.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 57.3 tt0 -155.21 148.41 24.82 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-O 121.99 0.9 . . . . 0.0 112.84 -174.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 94.5 t -106.17 104.25 48.95 Favored Pre-proline 0 N--CA 1.476 0.858 0 C-N-CA 124.958 1.303 . . . . 0.0 110.5 -174.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -80.09 -15.64 11.55 Favored 'Trans proline' 0 CA--C 1.543 0.947 0 C-N-CA 123.183 2.589 . . . . 0.0 113.763 176.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 21.0 p90 -98.57 39.96 1.22 Allowed 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.515 1.526 . . . . 0.0 111.911 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 12.8 p-10 -69.79 23.59 0.03 OUTLIER 'General case' 0 CA--C 1.554 1.102 0 C-N-CA 127.324 2.25 . . . . 0.0 115.643 -172.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -144.64 118.79 9.47 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.396 1.078 . . . . 0.0 111.293 174.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 6.2 tpt85 -152.44 19.29 0.64 Allowed 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.087 1.355 . . . . 0.0 113.505 176.076 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 . . . . . 0 C--O 1.249 1.077 0 C-N-CA 126.241 1.817 . . . . 0.0 111.924 171.813 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 101' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.164 1 O4'-C1'-N19 113.763 5.563 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 102' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.332 1 O4'-C1'-N19 112.543 4.343 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 103' ' ' ' A' . . . . . 0.449 ' C8 ' ' CD2' ' A' ' 50' ' ' PHE . . . . . . . . 0 O4'--C4' 1.428 -2.113 1 O4'-C1'-N19 114.19 5.99 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.492 2 C3'-C2'-C1' 105.91 4.9 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 105' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.997 0 O4'-C1'-N19 111.193 2.993 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 106' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.788 0 C5'-C4'-O4' 114.622 3.873 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.941 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 22.7 m 59.61 22.8 11.5 Favored 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 116.524 2.046 . . . . 0.0 116.524 167.081 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -72.57 126.55 30.16 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 120.826 -1.171 . . . . 0.0 110.67 178.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 72.1 mtp 55.42 53.24 10.1 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.458 1.103 . . . . 0.0 113.887 177.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 3.2 m -68.55 86.51 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 125.132 1.373 . . . . 0.0 112.436 173.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 10.1 pt -56.42 -39.9 64.07 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 C-N-CA 125.087 1.355 . . . . 0.0 113.926 -164.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.24 -26.33 64.8 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.95 1.3 . . . . 0.0 114.091 176.735 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -120.99 37.85 4.21 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.735 1.614 . . . . 0.0 111.212 -175.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.6 m -59.2 168.59 1.36 Allowed 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.942 1.697 . . . . 0.0 113.609 176.117 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 78.3 t -136.08 116.14 17.4 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 C-N-CA 126.665 1.986 . . . . 0.0 107.02 178.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 20.8 p -95.91 105.38 17.39 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.715 1.206 . . . . 0.0 110.871 -171.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.88 152.41 51.05 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 114.267 1.21 . . . . 0.0 114.267 -173.371 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.3 mp -77.16 148.08 6.95 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 C-N-CA 126.036 1.735 . . . . 0.0 109.627 171.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -117.0 136.43 52.94 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.654 1.182 . . . . 0.0 110.733 160.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 19.8 m -132.42 148.48 31.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 C-N-CA 125.164 1.386 . . . . 0.0 110.097 161.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -158.05 162.34 32.14 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 116.08 1.192 . . . . 0.0 116.08 -171.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 42.6 t30 54.49 32.09 16.09 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 126.445 1.898 . . . . 0.0 114.485 176.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.3 mp -79.8 140.52 54.67 Favored Pre-proline 0 CA--C 1.544 0.719 0 C-N-CA 124.269 1.028 . . . . 0.0 111.436 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -67.21 155.35 70.97 Favored 'Trans proline' 0 CA--C 1.537 0.663 0 C-N-CA 122.741 2.294 . . . . 0.0 111.464 166.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.5 t 64.98 -34.54 0.17 Allowed 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 127.838 2.455 . . . . 0.0 115.718 -175.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . 0.283 0.2 OUTLIER 64.39 170.68 0.18 Allowed 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 127.012 2.125 . . . . 0.0 113.078 -175.943 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.4 m -127.33 127.71 69.39 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 124.887 1.275 . . . . 0.0 111.045 -176.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 89.1 p -74.1 163.5 27.79 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.962 0.905 . . . . 0.0 111.558 172.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 21.7 p -52.51 -38.03 58.7 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.156 0.983 . . . . 0.0 112.884 175.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -55.29 -46.78 76.21 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 125.679 1.592 . . . . 0.0 112.472 171.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.75 -33.53 52.82 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 112.783 0.66 . . . . 0.0 112.783 -177.704 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.2 t -58.57 -46.08 90.17 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 CA-C-O 118.444 -0.789 . . . . 0.0 111.08 179.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -63.75 -43.33 96.75 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 119.973 1.26 . . . . 0.0 112.042 172.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -64.53 -35.42 80.91 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 -173.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.7 tp10 -77.19 -53.8 7.29 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.315 1.446 . . . . 0.0 111.072 173.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -79.56 -15.08 58.32 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 115.356 1.613 . . . . 0.0 115.356 -167.129 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 59.5 mtt-85 -59.41 -22.25 61.15 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 120.238 1.381 . . . . 0.0 114.315 169.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.99 -8.44 56.52 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 119.657 1.117 . . . . 0.0 113.494 173.749 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -103.15 -38.98 7.05 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.565 1.546 . . . . 0.0 111.45 178.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -180.0 177.16 47.89 Favored Glycine 0 CA--C 1.535 1.328 0 N-CA-C 116.013 1.165 . . . . 0.0 116.013 -178.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -72.78 100.68 2.92 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.733 1.213 . . . . 0.0 111.418 178.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -66.72 113.59 3.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 125.173 1.389 . . . . 0.0 112.402 -178.203 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 45.8 mt -91.68 -30.81 16.1 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.873 1.269 . . . . 0.0 112.619 176.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.0 ttpp -160.11 161.04 33.7 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 126.215 1.806 . . . . 0.0 109.819 165.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 29.4 p -137.53 164.39 28.83 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.336 1.055 . . . . 0.0 109.975 160.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -161.07 171.6 18.31 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.03 0.932 . . . . 0.0 111.944 173.149 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.1 p -139.08 138.86 41.01 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 124.753 1.221 . . . . 0.0 111.495 -170.13 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 37.6 mmtt -142.04 178.65 7.38 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 126.529 1.931 . . . . 0.0 110.868 -172.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.55 145.88 17.8 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.2 1.0 . . . . 0.0 112.057 176.025 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.3 t -79.77 155.64 27.82 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-O 121.777 0.799 . . . . 0.0 110.89 165.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 29.9 m -54.7 -27.29 18.01 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 C-N-CA 124.842 1.257 . . . . 0.0 112.902 164.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.9 t -79.45 20.98 0.51 Allowed 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 125.263 1.425 . . . . 0.0 114.065 173.125 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.78 -11.6 19.77 Favored Glycine 0 CA--C 1.533 1.215 0 N-CA-C 117.721 1.849 . . . . 0.0 117.721 165.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.96 126.59 30.13 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 119.983 1.891 . . . . 0.0 111.119 172.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -82.05 153.97 25.87 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.477 0.711 . . . . 0.0 111.44 167.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -134.19 145.75 49.51 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 126.297 1.839 . . . . 0.0 110.573 -177.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -136.31 147.12 47.29 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.867 0.867 . . . . 0.0 111.408 176.058 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -138.78 142.24 38.78 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 123.837 0.855 . . . . 0.0 111.943 -169.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.4 mp -139.75 127.4 25.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 124.295 1.038 . . . . 0.0 110.84 -174.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -95.9 123.88 39.67 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 126.566 1.946 . . . . 0.0 110.116 178.05 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -121.29 146.11 47.18 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.914 1.286 . . . . 0.0 112.346 169.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -65.63 -54.34 28.97 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 121.529 -0.732 . . . . 0.0 112.131 164.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -80.57 59.4 3.54 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 124.422 1.089 . . . . 0.0 113.625 -177.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -49.61 -37.7 28.91 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.787 0.835 . . . . 0.0 112.409 173.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.84 -33.12 74.14 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 114.719 1.377 . . . . 0.0 114.719 176.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -79.49 -43.93 22.23 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 118.735 0.698 . . . . 0.0 111.071 178.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.0 -23.82 65.97 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.186 1.394 . . . . 0.0 113.678 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -54.15 -41.52 68.54 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.74 0.816 . . . . 0.0 112.699 179.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -65.02 -41.27 95.43 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 118.819 0.736 . . . . 0.0 112.495 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -71.09 -25.02 62.42 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.144 0.977 . . . . 0.0 112.882 174.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -79.75 -43.38 22.99 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 O-C-N 121.519 -0.738 . . . . 0.0 111.939 175.764 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.88 -23.83 66.73 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 114.1 1.148 . . . . 0.0 114.1 -171.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.94 -30.22 70.09 Favored 'General case' 0 CA--C 1.545 0.787 0 O-C-N 120.581 -1.324 . . . . 0.0 112.297 170.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -81.78 -0.53 43.59 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.93 1.292 . . . . 0.0 113.864 176.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -69.37 178.47 2.39 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 119.173 0.897 . . . . 0.0 112.838 173.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.45 45.48 4.03 Favored Glycine 0 CA--C 1.525 0.717 0 C-N-CA 124.27 0.938 . . . . 0.0 110.914 -179.156 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 28.2 p -54.61 146.81 15.66 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.401 1.081 . . . . 0.0 113.193 -172.144 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -143.09 148.94 37.47 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.103 0.961 . . . . 0.0 111.609 -156.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 45.9 p90 -154.93 178.32 10.31 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.722 1.609 . . . . 0.0 111.053 -169.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 58.1 95.73 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.614 1.566 . . . . 0.0 112.452 -177.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 76.74 -59.85 3.39 Favored Glycine 0 CA--C 1.529 0.925 0 C-N-CA 124.498 1.047 . . . . 0.0 111.974 -169.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -68.71 161.26 28.67 Favored 'General case' 0 CA--C 1.543 0.684 0 O-C-N 121.901 -0.764 . . . . 0.0 111.091 161.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.6 ptpt -161.3 112.67 1.77 Allowed 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 125.155 1.382 . . . . 0.0 111.173 166.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.6 mp -154.63 130.02 9.77 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 126.256 1.822 . . . . 0.0 108.942 173.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 7.1 ttt180 -133.09 146.13 51.37 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 119.026 0.83 . . . . 0.0 112.655 171.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 96.4 t -151.0 140.83 15.72 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 127.383 2.273 . . . . 0.0 107.625 -174.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -151.28 160.11 43.98 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 121.759 0.79 . . . . 0.0 112.49 169.338 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 3.3 p -130.24 95.01 28.81 Favored Pre-proline 0 CA--C 1.543 0.709 0 C-N-CA 125.522 1.529 . . . . 0.0 111.035 -172.165 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_endo -74.71 33.9 0.38 Allowed 'Trans proline' 0 CA--C 1.547 1.126 0 C-N-CA 124.766 3.644 . . . . 0.0 113.47 176.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 38.3 p90 -146.42 31.92 0.99 Allowed 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 127.094 2.157 . . . . 0.0 110.553 172.001 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -57.3 -25.11 58.77 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.694 1.598 . . . . 0.0 113.639 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -113.95 134.83 54.58 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 108.226 -1.028 . . . . 0.0 108.226 145.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 10.0 ttp180 -61.0 -38.92 87.74 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.61 0.764 . . . . 0.0 112.677 -175.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 . . . . . 0 C--O 1.249 1.04 0 C-N-CA 124.689 1.196 . . . . 0.0 109.622 163.875 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 101' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.945 1 O4'-C1'-N19 113.766 5.566 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 102' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.226 0 O4'-C1'-N19 111.066 2.866 . 0.292 2o . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 103' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.576 -2.543 2 C5'-C4'-C3' 107.081 -5.613 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.546 5 O4'-C1'-N19 120.35 12.15 . 0.0 OUTLIER beta 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 105' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.039 0 O4'-C1'-N19 112.02 3.82 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 106' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.522 0 O4'-C1'-N19 111.805 3.605 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.648 0 N-CA-C 111.116 -0.794 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 48.7 m -81.17 76.69 8.11 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.493 1.117 . . . . 0.0 112.733 -174.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 21.1 t-160 -160.93 114.49 2.02 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 127.176 2.191 . . . . 0.0 109.17 172.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.6 ptt? -153.74 -40.21 0.09 Allowed 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 115.34 1.607 . . . . 0.0 115.34 178.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.8 t -135.36 70.66 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.167 0 C-N-CA 124.414 1.085 . . . . 0.0 110.153 -177.489 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 20.7 tt -156.33 140.77 8.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 125.634 1.573 . . . . 0.0 110.291 176.148 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 16.1 mmt180 -78.36 -3.41 43.01 Favored 'General case' 0 N--CA 1.481 1.122 0 N-CA-C 115.208 1.559 . . . . 0.0 115.208 -178.01 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -141.34 139.31 33.55 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.097 1.359 . . . . 0.0 111.876 -172.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.2 t -68.59 133.0 47.87 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.606 0.762 . . . . 0.0 112.068 179.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 61.6 t -86.98 122.0 38.41 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 124.534 1.134 . . . . 0.0 110.781 -178.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.9 m -79.09 129.62 34.64 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.772 0.829 . . . . 0.0 110.977 176.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 33.9 mtm-85 -135.16 145.53 47.87 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.135 0.974 . . . . 0.0 112.71 177.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 57.9 mt -104.54 149.16 8.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 126.108 1.763 . . . . 0.0 110.001 174.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 33.3 t80 -134.57 152.69 51.95 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 126.719 2.008 . . . . 0.0 111.422 178.336 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 20.3 t -139.87 127.14 24.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 124.23 1.012 . . . . 0.0 109.518 165.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -91.85 135.47 12.77 Favored Glycine 0 CA--C 1.53 0.98 0 C-N-CA 125.494 1.521 . . . . 0.0 113.677 -177.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.2 m120 57.68 33.2 22.94 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 125.23 1.412 . . . . 0.0 113.177 -179.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.2 125.2 89.79 Favored Pre-proline 0 CA--C 1.55 0.947 0 C-N-CA 125.81 1.644 . . . . 0.0 111.313 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -72.92 175.11 10.86 Favored 'Trans proline' 0 CA--C 1.542 0.883 0 C-N-CA 123.452 2.768 . . . . 0.0 111.604 171.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.3 t -72.62 35.96 0.07 Allowed 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 124.706 1.202 . . . . 0.0 113.859 175.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 66.5 t60 -68.18 -33.05 73.73 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 126.57 1.948 . . . . 0.0 112.19 174.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 15.4 m -134.44 125.95 47.95 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 125.225 1.41 . . . . 0.0 110.936 173.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 97.2 p -80.75 174.37 11.68 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.585 1.554 . . . . 0.0 111.143 167.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 77.7 p -55.51 -30.28 60.38 Favored 'General case' 0 N--CA 1.478 0.973 0 O-C-N 120.737 -1.227 . . . . 0.0 113.138 172.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -69.19 -52.41 28.25 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 125.267 1.427 . . . . 0.0 111.638 171.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -69.78 -29.23 66.5 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 113.589 0.959 . . . . 0.0 113.589 -177.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 37.4 t -57.9 -39.58 72.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 124.421 1.088 . . . . 0.0 111.515 175.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 76.0 tt0 -61.43 -53.96 49.74 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 119.643 1.11 . . . . 0.0 111.585 174.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 28.1 m120 -64.68 -31.49 72.73 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 113.042 0.756 . . . . 0.0 113.042 -178.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.6 tp10 -69.85 -53.81 16.42 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.92 0.888 . . . . 0.0 111.84 173.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -78.45 -14.09 59.53 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 114.628 1.344 . . . . 0.0 114.628 -174.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 64.9 mtt-85 -57.93 -25.03 60.35 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-N 120.291 1.405 . . . . 0.0 114.557 172.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.66 -32.18 69.36 Favored 'General case' 0 N--CA 1.483 1.196 0 CA-C-N 119.6 1.091 . . . . 0.0 112.124 171.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -74.83 -36.94 62.4 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.159 1.384 . . . . 0.0 110.576 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 163.68 -165.87 37.08 Favored Glycine 0 CA--C 1.533 1.172 0 C-N-CA 124.881 1.229 . . . . 0.0 112.992 174.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 73.4 m-20 -76.06 90.55 3.05 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-O 122.156 0.979 . . . . 0.0 112.541 -178.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -57.4 133.56 22.03 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 C-N-CA 125.437 1.495 . . . . 0.0 110.351 160.213 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 75.0 mt -101.02 -38.56 8.13 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.395 1.478 . . . . 0.0 112.503 175.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -156.26 147.97 22.86 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 126.309 1.844 . . . . 0.0 110.267 179.777 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 9.0 p -146.33 139.29 25.58 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.286 1.034 . . . . 0.0 112.289 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -160.81 132.66 5.85 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.421 1.488 . . . . 0.0 110.267 171.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.5 m -85.07 149.02 4.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 123.854 0.862 . . . . 0.0 110.947 171.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.13 170.43 14.55 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 125.228 1.411 . . . . 0.0 111.496 176.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.89 152.91 40.97 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.998 1.319 . . . . 0.0 113.116 177.324 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 82.1 p -98.98 167.55 10.66 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.051 1.341 . . . . 0.0 111.939 174.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 64.1 t -61.47 -25.65 37.27 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 C-N-CA 124.695 1.198 . . . . 0.0 112.437 177.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 22.7 t -65.52 -17.25 64.42 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.111 1.365 . . . . 0.0 113.601 172.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 91.19 -1.3 76.84 Favored Glycine 0 CA--C 1.536 1.353 0 C-N-CA 125.46 1.505 . . . . 0.0 114.626 -178.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.2 143.01 54.13 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 118.369 1.084 . . . . 0.0 110.744 168.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -127.03 157.66 39.02 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.797 1.239 . . . . 0.0 112.372 -179.194 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 -148.16 128.5 13.89 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 124.493 1.117 . . . . 0.0 111.082 -162.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -84.12 140.79 31.55 Favored 'General case' 0 N--CA 1.467 0.402 0 O-C-N 122.179 -0.325 . . . . 0.0 111.094 169.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -138.32 131.1 29.52 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 125.103 1.361 . . . . 0.0 110.433 173.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.2 mp -139.01 131.36 37.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 124.37 1.068 . . . . 0.0 110.881 -172.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -88.15 135.13 33.58 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.506 1.522 . . . . 0.0 111.615 173.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -130.15 150.93 51.19 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 126.171 1.788 . . . . 0.0 111.441 -177.169 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 25.8 pt-20 -83.41 -27.06 29.85 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 113.947 1.091 . . . . 0.0 113.947 173.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -136.05 119.46 16.86 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.433 1.493 . . . . 0.0 112.222 -174.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.22 -61.99 1.57 Allowed 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.01 0.924 . . . . 0.0 113.058 175.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.63 -28.7 68.74 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 114.701 1.371 . . . . 0.0 114.701 -170.614 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -69.18 -45.18 70.59 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.73 0.812 . . . . 0.0 111.616 174.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -77.6 -24.85 49.55 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.581 1.152 . . . . 0.0 113.656 178.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.78 -37.56 76.57 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.087 0.955 . . . . 0.0 112.998 -178.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -64.87 -32.5 74.24 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 121.526 -0.734 . . . . 0.0 112.924 175.028 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -82.4 -27.36 32.07 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.366 1.066 . . . . 0.0 113.135 175.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -78.71 -37.52 20.65 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 O-C-N 121.267 -0.895 . . . . 0.0 111.558 176.007 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.88 -22.14 62.32 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 114.421 1.267 . . . . 0.0 114.421 -176.616 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -69.4 -8.34 45.75 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 119.341 0.973 . . . . 0.0 113.063 170.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -103.97 10.85 36.02 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 126.27 1.828 . . . . 0.0 113.188 174.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 24.2 p-10 -67.97 179.14 1.56 Allowed 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 114.1 1.148 . . . . 0.0 114.1 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 83.53 65.95 1.54 Allowed Glycine 0 CA--C 1.532 1.109 0 C-N-CA 124.208 0.909 . . . . 0.0 111.386 -172.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 13.8 p -59.66 141.06 55.84 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.818 1.247 . . . . 0.0 112.927 -177.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -106.02 134.54 48.98 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.891 1.676 . . . . 0.0 112.39 -175.132 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -157.27 174.49 15.37 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 126.64 1.976 . . . . 0.0 111.632 -175.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 56.28 31.02 17.74 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 126.136 1.774 . . . . 0.0 115.224 175.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 152.91 -38.55 0.74 Allowed Glycine 0 CA--C 1.531 1.064 0 C-N-CA 125.684 1.611 . . . . 0.0 112.18 176.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 71.3 m-20 -97.78 155.09 17.19 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.491 1.516 . . . . 0.0 110.837 168.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.92 90.59 3.18 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 125.777 1.631 . . . . 0.0 109.824 177.613 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -162.6 73.36 0.37 Allowed 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.481 1.112 . . . . 0.0 110.749 179.267 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 37.9 ttm180 -86.02 130.48 34.52 Favored 'General case' 0 N--CA 1.478 0.935 0 O-C-N 120.63 -1.294 . . . . 0.0 110.935 175.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 93.0 t -121.83 125.28 73.06 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 124.909 1.284 . . . . 0.0 109.352 175.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -161.68 142.57 10.92 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.865 2.066 . . . . 0.0 108.038 -169.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 5.7 p -128.13 109.33 19.8 Favored Pre-proline 0 CA--C 1.547 0.841 0 CA-C-N 119.225 0.92 . . . . 0.0 113.019 -169.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -75.61 48.1 2.06 Favored 'Trans proline' 0 CA--C 1.549 1.256 0 C-N-CA 124.169 3.246 . . . . 0.0 113.3 174.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 18.7 m-30 -78.52 -27.75 46.11 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.824 1.25 . . . . 0.0 112.489 162.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 19.0 m120 57.29 25.92 11.73 Favored 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 125.76 1.624 . . . . 0.0 114.387 -174.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 59.87 169.88 0.08 Allowed 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 127.627 2.371 . . . . 0.0 115.375 -174.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 4.4 mmt180 -146.15 143.36 29.26 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 125.815 1.646 . . . . 0.0 111.879 -178.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 . . . . . 0 C--O 1.255 1.365 0 C-N-CA 127.14 2.176 . . . . 0.0 114.105 177.223 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 101' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.112 1 O4'-C1'-N19 112.571 4.371 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 102' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.038 1 N19-C1'-C2' 122.656 5.785 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 103' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.569 0 C3'-C2'-C1' 104.698 3.553 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.319 1 C3'-C2'-C1' 105.206 4.118 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 105' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.32 0 P-O3'-C3' 123.323 3.02 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 106' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.367 2 O4'-C1'-N19 113.248 5.048 . 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.398 0 N-CA-C 111.428 -0.669 . . . . 0.0 111.428 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 22.6 t -149.58 158.29 44.04 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.934 1.294 . . . . 0.0 111.806 177.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 29.1 p80 -70.17 169.41 13.65 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.862 1.265 . . . . 0.0 113.479 -177.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.8 ttp -149.86 166.05 30.7 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.898 1.279 . . . . 0.0 111.63 178.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 14.8 p -130.2 142.98 42.39 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 125.406 1.482 . . . . 0.0 110.963 176.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 79.9 mt -132.36 -53.01 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 125.202 1.401 . . . . 0.0 111.022 -174.39 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 5.4 mtm180 -164.48 139.5 5.66 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 126.822 2.049 . . . . 0.0 110.408 175.26 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 55.41 22.01 4.68 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 126.122 1.769 . . . . 0.0 115.522 174.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.6 t 62.87 147.71 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 127.134 2.174 . . . . 0.0 114.748 -165.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 3.1 t -116.84 45.19 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 125.704 1.602 . . . . 0.0 110.548 -172.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 27.3 p -64.65 127.6 32.23 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.3 1.04 . . . . 0.0 111.298 176.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.8 ptt180 -153.12 133.24 13.39 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.462 1.105 . . . . 0.0 112.927 -171.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.2 mt -69.43 143.77 14.62 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 123.506 0.723 . . . . 0.0 109.649 175.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -111.77 149.36 31.81 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 126.157 1.783 . . . . 0.0 110.615 169.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.3 p -136.9 124.96 33.46 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 123.273 0.629 . . . . 0.0 111.113 165.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -90.83 138.44 14.37 Favored Glycine 0 CA--C 1.524 0.646 0 C-N-CA 125.992 1.758 . . . . 0.0 113.266 179.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 12.5 m120 52.59 42.12 31.38 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.334 1.453 . . . . 0.0 112.921 173.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.6 pp -61.36 156.6 50.61 Favored Pre-proline 0 CA--C 1.55 0.954 0 C-N-CA 125.567 1.547 . . . . 0.0 113.71 -173.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -69.84 122.26 8.92 Favored 'Trans proline' 0 CA--C 1.541 0.843 0 C-N-CA 122.787 2.324 . . . . 0.0 111.676 -179.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 38.3 m 52.99 -117.21 1.15 Allowed 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.353 1.461 . . . . 0.0 112.948 -178.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 35.5 p-80 -155.32 67.51 0.66 Allowed 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.561 1.544 . . . . 0.0 110.42 -174.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 12.3 p -54.02 136.55 15.57 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 124.679 1.192 . . . . 0.0 112.832 -176.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.0 m -71.46 144.83 49.57 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.746 0.818 . . . . 0.0 112.261 -179.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 16.5 m -57.42 -35.12 69.67 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.073 0.949 . . . . 0.0 113.233 -177.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -66.35 -29.46 69.65 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.12 0.968 . . . . 0.0 113.322 177.268 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -76.06 -47.14 25.77 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.417 0.687 . . . . 0.0 111.223 178.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 17.5 m -67.75 -33.49 62.05 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 CA-C-O 118.852 -0.594 . . . . 0.0 112.121 174.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 64.6 tt0 -55.04 -54.5 42.24 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 119.62 1.1 . . . . 0.0 111.071 171.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 62.6 m-80 -72.43 -23.39 61.07 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 114.004 1.112 . . . . 0.0 114.004 -178.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -68.87 -48.63 62.95 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 119.082 0.856 . . . . 0.0 111.605 167.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -79.94 -7.83 58.99 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 115.248 1.573 . . . . 0.0 115.248 -175.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 65.2 mtp180 -55.21 -25.13 30.94 Favored 'General case' 0 N--CA 1.487 1.419 0 CA-C-N 120.157 1.344 . . . . 0.0 113.711 167.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 70.1 tttt -60.24 -33.85 72.87 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 125.873 1.669 . . . . 0.0 113.327 169.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -91.56 -33.23 15.23 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.708 1.603 . . . . 0.0 111.381 -170.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 172.5 177.69 42.1 Favored Glycine 0 CA--C 1.534 1.277 0 C-N-CA 126.081 1.8 . . . . 0.0 112.251 174.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -70.38 90.01 0.7 Allowed 'General case' 0 CA--C 1.543 0.686 0 O-C-N 121.39 -1.065 . . . . 0.0 110.986 171.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -52.2 130.55 13.15 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 C-N-CA 125.375 1.47 . . . . 0.0 111.217 174.502 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 90.1 mt -92.03 -45.33 8.37 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.408 1.083 . . . . 0.0 112.702 -173.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.6 tmmm? -159.32 143.67 15.25 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 125.885 1.674 . . . . 0.0 110.132 176.247 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 30.1 p -146.07 148.1 32.3 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.825 0.85 . . . . 0.0 112.319 175.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -161.49 164.13 29.86 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.934 1.694 . . . . 0.0 111.705 -178.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.6 t -125.79 139.47 51.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 125.467 1.507 . . . . 0.0 111.388 -176.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.9 167.46 15.22 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 127.365 2.266 . . . . 0.0 110.941 -176.435 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.54 149.49 37.52 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.72 1.208 . . . . 0.0 112.477 169.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 73.0 p -96.8 167.02 11.36 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.659 1.184 . . . . 0.0 111.981 176.284 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 34.8 m -64.34 -17.21 20.61 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 174.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 18.3 t -72.19 -15.26 61.95 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.854 1.261 . . . . 0.0 113.093 170.135 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 90.63 0.08 76.28 Favored Glycine 0 CA--C 1.536 1.348 0 C-N-CA 125.602 1.572 . . . . 0.0 114.809 -179.003 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.07 140.89 45.65 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 118.518 1.159 . . . . 0.0 111.341 173.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -111.2 145.37 38.81 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.03 1.332 . . . . 0.0 112.38 -179.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -143.59 127.86 17.73 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 125.26 1.424 . . . . 0.0 111.373 -169.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -112.94 145.79 40.15 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 123.819 0.847 . . . . 0.0 111.422 176.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -131.91 133.3 44.42 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 124.432 1.093 . . . . 0.0 110.801 178.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.1 mp -136.39 106.7 5.56 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 C-N-CA 124.634 1.174 . . . . 0.0 110.379 -167.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 76.4 tt0 -77.48 127.4 32.45 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 125.003 1.321 . . . . 0.0 112.98 -175.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 2.7 m-30 -107.57 163.87 12.71 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 125.715 1.606 . . . . 0.0 114.672 -166.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -86.03 -55.04 4.13 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.253 1.421 . . . . 0.0 113.666 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.6 p-10 -149.47 112.42 4.86 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.528 1.131 . . . . 0.0 113.222 -170.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.87 -36.59 84.83 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 114.599 1.333 . . . . 0.0 114.599 -169.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -65.11 -43.89 90.55 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-N 118.699 0.681 . . . . 0.0 112.14 -175.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -73.87 -40.03 63.53 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.659 0.784 . . . . 0.0 111.26 178.218 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.38 -36.1 79.33 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 176.118 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.87 -34.66 73.44 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 113.638 0.977 . . . . 0.0 113.638 -177.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -66.09 -29.41 69.73 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 121.336 -0.852 . . . . 0.0 113.074 176.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -84.8 -29.45 25.38 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.245 1.018 . . . . 0.0 112.626 171.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -71.18 -35.97 60.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 O-C-N 121.054 -1.029 . . . . 0.0 112.334 178.049 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.89 -14.21 62.78 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 115.119 1.526 . . . . 0.0 115.119 -175.458 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -91.89 -6.82 50.79 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.169 0.987 . . . . 0.0 113.514 171.08 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 11.5 mmpt? -97.97 1.23 47.68 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 125.959 1.704 . . . . 0.0 113.439 171.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 13.7 p-10 -69.6 175.98 3.81 Favored 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 113.85 1.056 . . . . 0.0 113.85 -177.141 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 79.88 77.42 0.94 Allowed Glycine 0 CA--C 1.53 1.002 0 C-N-CA 124.098 0.856 . . . . 0.0 111.753 -176.075 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 17.6 p -60.8 150.59 32.19 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.54 1.136 . . . . 0.0 112.446 177.024 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -145.34 132.96 20.92 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.932 1.293 . . . . 0.0 111.268 -163.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 4.1 p90 -158.55 171.37 20.25 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 126.051 1.74 . . . . 0.0 111.633 -158.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 57.65 28.76 16.21 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 125.42 1.488 . . . . 0.0 114.074 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 164.28 -36.0 0.29 Allowed Glycine 0 CA--C 1.533 1.196 0 C-N-CA 125.728 1.632 . . . . 0.0 112.488 179.197 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 52.2 m-80 -107.99 161.98 14.45 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.902 1.681 . . . . 0.0 111.012 169.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.65 63.64 1.2 Allowed 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 126.036 1.735 . . . . 0.0 111.143 -170.317 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.4 mt -152.11 96.03 2.14 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.203 1.001 . . . . 0.0 112.958 -174.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 43.0 ttm-85 -108.97 89.72 3.08 Favored 'General case' 0 N--CA 1.481 1.121 0 O-C-N 120.927 -1.108 . . . . 0.0 110.358 161.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 97.4 t -80.88 125.41 39.4 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 168.276 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 68.4 tt0 -155.52 141.65 18.36 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-O 121.465 0.65 . . . . 0.0 112.727 -175.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 85.4 t -103.85 114.69 64.38 Favored Pre-proline 0 N--CA 1.476 0.842 0 C-N-CA 125.06 1.344 . . . . 0.0 111.326 -175.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -79.55 -22.95 7.57 Favored 'Trans proline' 0 CA--C 1.544 0.996 0 C-N-CA 122.904 2.403 . . . . 0.0 113.404 175.339 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 54.8 p90 -89.79 27.96 1.44 Allowed 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 125.876 1.671 . . . . 0.0 113.672 -178.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 50.4 p-10 -72.44 32.63 0.06 Allowed 'General case' 0 CA--C 1.555 1.145 0 N-CA-C 116.369 1.989 . . . . 0.0 116.369 -168.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -146.58 122.2 10.47 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.783 1.633 . . . . 0.0 110.482 170.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 13.4 tpt85 -155.75 -3.2 0.13 Allowed 'General case' 0 N--CA 1.484 1.252 0 N-CA-C 114.722 1.378 . . . . 0.0 114.722 -178.218 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.3 pm0 . . . . . 0 C--O 1.251 1.163 0 C-N-CA 126.355 1.862 . . . . 0.0 113.838 174.962 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 101' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.453 1 O4'-C1'-N19 116.172 7.972 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 102' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.317 0 O4'-C1'-N19 111.637 3.437 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 103' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.117 1 O4'-C1'-N19 112.571 4.371 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.784 0 C3'-C2'-C1' 104.411 3.234 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 105' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.651 0 C1'-O4'-C4' 106.933 -2.963 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 106' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.617 2.372 0 O4'-C1'-N19 111.434 3.234 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.672 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 21.4 m -62.15 152.02 34.22 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.505 1.122 . . . . 0.0 113.014 179.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 34.0 p80 -147.55 158.16 43.88 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.338 1.455 . . . . 0.0 111.392 179.252 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.8 ptp -162.47 170.97 17.82 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.121 1.368 . . . . 0.0 111.923 -174.014 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 10.6 p -123.03 156.24 28.71 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 126.364 1.866 . . . . 0.0 110.638 178.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 47.4 pt -60.49 149.79 7.25 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 124.538 1.135 . . . . 0.0 112.639 175.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -141.21 135.37 30.67 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.662 1.585 . . . . 0.0 110.634 -177.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 53.05 27.98 6.29 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 125.663 1.585 . . . . 0.0 114.101 179.027 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.6 t -158.53 -179.9 8.52 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.921 1.688 . . . . 0.0 111.674 -170.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.7 p -133.78 -29.96 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 C-N-CA 125.993 1.717 . . . . 0.0 113.625 -178.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 40.0 t -156.92 123.76 5.12 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.967 1.307 . . . . 0.0 110.287 177.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 25.1 ttp85 -152.13 135.59 16.04 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.762 0.825 . . . . 0.0 112.688 -173.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 13.2 mm -72.94 149.15 8.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 125.87 1.668 . . . . 0.0 111.252 170.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 45.8 t80 -132.74 132.78 42.67 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.428 1.091 . . . . 0.0 111.226 161.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.4 t -133.56 127.03 52.69 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 124.767 1.227 . . . . 0.0 108.951 170.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -115.41 144.5 18.45 Favored Glycine 0 CA--C 1.529 0.929 0 C-N-CA 125.116 1.341 . . . . 0.0 114.364 -172.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.1 m-80 57.51 21.14 6.74 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 126.463 1.905 . . . . 0.0 114.175 -175.274 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -67.4 145.89 98.58 Favored Pre-proline 0 CA--C 1.549 0.936 0 N-CA-C 114.412 1.264 . . . . 0.0 114.412 -161.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -70.8 169.05 21.18 Favored 'Trans proline' 0 CA--C 1.54 0.813 0 C-N-CA 123.626 2.884 . . . . 0.0 112.054 169.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.2 m -72.27 40.97 0.08 Allowed 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 126.321 1.848 . . . . 0.0 114.511 -179.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -67.25 -35.88 80.46 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.576 1.55 . . . . 0.0 113.62 -176.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 10.7 p -150.05 134.16 8.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 124.638 1.175 . . . . 0.0 111.241 -172.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 33.1 m -87.64 166.9 14.35 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.142 0.977 . . . . 0.0 112.139 176.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 58.7 p -57.22 -46.25 83.12 Favored 'General case' 0 N--CA 1.479 0.998 0 O-C-N 121.169 -0.957 . . . . 0.0 112.168 173.043 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -57.13 -37.16 71.59 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 126.239 1.816 . . . . 0.0 112.899 173.005 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 58.1 m-20 -75.24 -50.94 14.55 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.585 0.754 . . . . 0.0 111.473 179.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 4.2 p -67.04 -29.0 44.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 123.349 0.66 . . . . 0.0 112.66 -177.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 49.6 tt0 -56.15 -28.64 58.8 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.096 1.359 . . . . 0.0 112.883 170.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -105.33 -40.19 5.91 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.769 1.227 . . . . 0.0 112.948 -179.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.7 tp10 -66.85 -38.61 86.7 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.384 1.073 . . . . 0.0 113.251 -174.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 6.9 m-30 -70.61 -17.13 62.89 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 -179.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 64.3 mtp180 -60.2 -25.67 65.77 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 114.498 1.295 . . . . 0.0 114.498 -172.117 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.502 ' HE3' ' CD1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -73.47 -34.18 65.24 Favored 'General case' 0 N--CA 1.483 1.184 0 CA-C-N 119.082 0.855 . . . . 0.0 112.49 173.749 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.502 ' CD1' ' HE3' ' A' ' 30' ' ' LYS . 89.2 m-85 -79.89 -35.91 37.28 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 125.119 1.368 . . . . 0.0 112.071 178.624 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -178.41 165.33 34.53 Favored Glycine 0 CA--C 1.529 0.929 0 C-N-CA 124.171 0.891 . . . . 0.0 112.651 176.231 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 21.7 m120 -71.34 104.3 3.13 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 121.479 -1.013 . . . . 0.0 110.315 176.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -67.48 130.7 32.97 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 C-N-CA 124.291 1.037 . . . . 0.0 109.547 168.339 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 80.0 mt -99.29 -41.08 7.61 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.627 1.171 . . . . 0.0 112.323 -178.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.61 146.68 18.25 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 125.772 1.629 . . . . 0.0 110.633 175.021 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 26.7 p -143.43 143.79 31.76 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.734 1.214 . . . . 0.0 113.008 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -160.06 166.18 30.41 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.336 1.454 . . . . 0.0 111.667 170.238 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.5 p -134.78 128.33 50.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 125.08 1.352 . . . . 0.0 111.007 178.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.22 166.42 11.0 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 126.712 2.005 . . . . 0.0 110.47 -179.11 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.01 149.9 32.97 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.078 0.951 . . . . 0.0 113.092 166.29 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 69.0 p -100.56 166.39 10.94 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.192 1.397 . . . . 0.0 111.947 176.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 35.1 m -63.2 -18.64 22.06 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 176.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 20.4 m -72.55 -6.64 45.42 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.262 1.425 . . . . 0.0 113.716 171.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 85.07 -1.48 88.78 Favored Glycine 0 CA--C 1.537 1.449 0 C-N-CA 125.454 1.502 . . . . 0.0 114.826 -179.243 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.72 134.8 40.42 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 118.532 1.166 . . . . 0.0 111.388 173.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -106.6 154.25 21.17 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.79 1.236 . . . . 0.0 112.07 175.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -143.05 118.06 10.04 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.575 1.15 . . . . 0.0 110.972 -173.115 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -104.18 138.43 40.66 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.432 1.093 . . . . 0.0 112.915 -173.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -134.93 119.1 17.62 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.993 1.717 . . . . 0.0 109.612 -175.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.5 mp -135.95 119.37 23.58 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 123.928 0.891 . . . . 0.0 110.258 -178.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -84.21 130.6 34.82 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.777 1.231 . . . . 0.0 111.758 178.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -108.82 152.5 24.8 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.855 1.662 . . . . 0.0 111.948 174.289 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -74.97 -37.61 61.88 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.203 1.001 . . . . 0.0 112.14 160.2 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -92.11 171.13 9.29 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 126.412 1.885 . . . . 0.0 114.433 -172.317 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -130.86 -70.66 0.6 Allowed 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.675 1.19 . . . . 0.0 112.959 177.164 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -63.96 -39.47 94.21 Favored 'General case' 0 N--CA 1.484 1.273 0 O-C-N 121.119 -0.988 . . . . 0.0 112.673 -178.455 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -71.17 -39.63 71.74 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 123.325 0.65 . . . . 0.0 111.202 178.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.42 -33.37 75.4 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.915 0.886 . . . . 0.0 112.497 173.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.1 -15.52 62.48 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 177.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -63.32 -28.43 70.0 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 119.755 1.161 . . . . 0.0 112.575 172.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -74.52 -49.35 22.37 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 121.593 -0.692 . . . . 0.0 110.891 166.377 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -60.84 -37.85 77.57 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 C-N-CA 123.746 0.818 . . . . 0.0 112.523 -171.466 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.33 -9.25 52.48 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 114.498 1.296 . . . . 0.0 114.498 175.241 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.66 -28.78 13.38 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.917 1.687 . . . . 0.0 111.728 171.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -85.96 -22.5 27.35 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 114.538 1.31 . . . . 0.0 114.538 176.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 42.5 p30 -63.81 174.44 1.43 Allowed 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 115.137 1.532 . . . . 0.0 115.137 -173.521 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 88.07 70.41 1.28 Allowed Glycine 0 CA--C 1.532 1.098 0 C-N-CA 124.539 1.066 . . . . 0.0 110.574 -166.033 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 26.5 p -59.28 143.68 48.53 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.333 1.053 . . . . 0.0 112.196 -178.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -135.78 130.47 34.11 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.851 0.861 . . . . 0.0 112.193 -164.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 40.9 p90 -151.43 177.25 10.49 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 126.316 1.847 . . . . 0.0 111.346 -166.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 47.4 tt0 55.49 76.0 0.29 Allowed 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 126.082 1.753 . . . . 0.0 113.082 178.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 93.2 -31.22 6.47 Favored Glycine 0 CA--C 1.537 1.417 0 C-N-CA 125.612 1.577 . . . . 0.0 113.288 -174.089 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 68.4 m-20 -94.47 156.04 16.66 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.677 1.191 . . . . 0.0 110.86 165.209 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.73 89.8 2.4 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 125.075 1.35 . . . . 0.0 110.407 177.614 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -159.32 73.03 0.57 Allowed 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.485 1.114 . . . . 0.0 110.648 177.678 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 45.5 ttm-85 -81.25 134.53 35.62 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 120.727 -1.233 . . . . 0.0 110.629 174.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 53.5 t -136.03 132.08 49.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 125.873 1.669 . . . . 0.0 108.794 177.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -152.12 152.32 32.18 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.445 1.098 . . . . 0.0 110.555 -176.024 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 5.2 p -141.04 105.56 6.17 Favored Pre-proline 0 CA--C 1.543 0.691 0 C-N-CA 124.567 1.147 . . . . 0.0 111.868 -169.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -72.5 -25.31 18.06 Favored 'Trans proline' 0 CA--C 1.541 0.834 0 C-N-CA 122.759 2.306 . . . . 0.0 112.884 175.15 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 51.2 p90 -83.6 26.43 0.68 Allowed 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 124.933 1.293 . . . . 0.0 113.89 177.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -54.75 -25.96 31.19 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 125.206 1.402 . . . . 0.0 113.492 -179.091 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -136.06 157.16 47.51 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.646 1.579 . . . . 0.0 110.598 162.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -65.98 -30.89 71.52 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.586 1.154 . . . . 0.0 112.702 178.208 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 21.2 pt-20 . . . . . 0 C--O 1.253 1.265 0 C-N-CA 126.742 2.017 . . . . 0.0 113.457 -172.337 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 101' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.41 1 O4'-C1'-N19 114.963 6.763 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 102' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.193 1 O4'-C1'-N19 112.945 4.745 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 103' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.455 0 O4'-C1'-N19 112.078 3.878 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.679 2 O4'-C1'-N19 113.557 5.357 . 0.074 4g . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 105' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.523 0 C5'-C4'-C3' 112.366 -2.089 . 0.01 5j . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 106' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.13 0 O4'-C1'-N19 111.515 3.315 . 0.01 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.191 0 CA-C-O 117.828 -1.54 . . . . 0.0 109.263 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 69.9 m -149.3 75.98 1.3 Allowed 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 119.318 1.559 . . . . 0.0 111.518 -175.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 18.4 p80 -51.38 139.2 20.0 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.583 1.553 . . . . 0.0 112.418 178.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.9 mtm -145.07 158.08 43.92 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 126.302 1.841 . . . . 0.0 109.592 -177.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 14.4 p -144.47 148.83 17.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 124.135 0.974 . . . . 0.0 111.208 -169.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -120.79 145.44 27.24 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.505 0 C-N-CA 124.815 1.246 . . . . 0.0 110.924 -169.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -67.1 19.2 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 127.175 2.19 . . . . 0.0 115.134 176.182 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 63.8 tt0 -155.22 145.64 22.02 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 128.433 2.693 . . . . 0.0 107.622 178.109 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.5 p -69.03 -52.19 31.24 Favored 'General case' 0 N--CA 1.475 0.816 0 O-C-N 121.087 -1.008 . . . . 0.0 113.543 -170.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.5 t 60.69 102.95 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 C-N-CA 128.141 2.576 . . . . 0.0 114.319 177.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 40.6 t -62.22 116.76 5.27 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.262 1.025 . . . . 0.0 112.422 178.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -144.02 154.47 43.29 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.989 1.316 . . . . 0.0 114.425 -173.278 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 59.8 mt -97.28 146.57 7.42 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 126.712 2.005 . . . . 0.0 109.544 163.001 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.406 ' CZ ' H5'' ' B' ' 102' ' ' ' C' . 9.4 t80 -125.76 136.33 53.04 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 126.07 1.748 . . . . 0.0 111.87 168.367 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 56.6 t -131.58 119.32 42.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 124.618 1.167 . . . . 0.0 109.58 168.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -106.8 147.17 16.17 Favored Glycine 0 CA--C 1.527 0.795 0 C-N-CA 125.406 1.479 . . . . 0.0 113.559 -179.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 15.7 m120 55.54 39.99 31.08 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.313 1.045 . . . . 0.0 112.537 -179.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.7 112.81 6.21 Favored Pre-proline 0 CA--C 1.554 1.117 0 C-N-CA 125.104 1.362 . . . . 0.0 113.133 -172.264 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -68.02 158.43 57.44 Favored 'Trans proline' 0 C--N 1.351 0.694 0 C-N-CA 122.646 2.23 . . . . 0.0 111.622 177.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 66.4 m 58.44 11.49 1.69 Allowed 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 125.889 1.676 . . . . 0.0 114.931 -174.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 43.96 47.83 7.16 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 126.334 1.854 . . . . 0.0 112.842 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 16.2 m -55.96 121.22 3.61 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 CA-C-O 122.027 0.918 . . . . 0.0 112.608 -171.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 m -65.9 145.07 56.36 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 124.993 1.317 . . . . 0.0 111.905 -175.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 88.7 p -53.54 -52.9 58.19 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.391 0.676 . . . . 0.0 112.355 -177.438 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.68 -34.43 72.85 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 124.962 1.305 . . . . 0.0 113.747 -176.334 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.4 -46.77 69.09 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 123.433 0.693 . . . . 0.0 111.418 -177.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.3 t -77.21 -34.23 21.08 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 122.555 0.342 . . . . 0.0 111.027 177.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 66.7 tt0 -52.68 -40.1 62.57 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 125.833 1.653 . . . . 0.0 112.53 173.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -66.55 -32.97 74.65 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 112.932 0.716 . . . . 0.0 112.932 177.654 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -83.4 -36.4 24.32 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.69 1.196 . . . . 0.0 112.476 177.138 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -53.84 -24.97 17.42 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.408 1.083 . . . . 0.0 112.821 177.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 58.7 mtp180 -52.26 -30.02 25.81 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 114.288 1.218 . . . . 0.0 114.288 178.281 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.11 -18.88 52.47 Favored 'General case' 0 N--CA 1.491 1.576 0 CA-C-N 120.497 1.499 . . . . 0.0 113.437 174.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -94.22 -16.31 23.76 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.587 1.955 . . . . 0.0 112.643 177.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 156.1 174.02 25.39 Favored Glycine 0 CA--C 1.534 1.222 0 C-N-CA 124.785 1.183 . . . . 0.0 112.694 177.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 73.3 m-80 -83.83 137.03 33.89 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 121.642 -0.917 . . . . 0.0 112.404 175.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -102.87 133.0 47.83 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 C-N-CA 127.103 2.161 . . . . 0.0 110.401 179.343 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 46.7 mt -92.96 -46.21 7.59 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.702 0.801 . . . . 0.0 111.597 176.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.41 170.8 19.37 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 126.152 1.781 . . . . 0.0 111.588 164.178 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 15.4 p -153.15 155.08 36.05 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.592 1.157 . . . . 0.0 111.76 174.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -156.05 177.79 11.02 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 126.014 1.726 . . . . 0.0 110.71 172.325 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 45.4 t -124.49 117.64 51.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 124.812 1.245 . . . . 0.0 110.765 176.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 41.9 mtpt -78.89 160.27 27.37 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.768 1.227 . . . . 0.0 111.083 168.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.03 157.9 42.94 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.325 1.05 . . . . 0.0 110.726 162.339 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 12.3 t -141.78 154.55 45.31 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.361 1.065 . . . . 0.0 111.371 -179.101 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.8 p -58.31 -29.12 37.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 N-CA-C 114.808 1.411 . . . . 0.0 114.808 -159.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.1 t -77.68 40.07 0.29 Allowed 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 125.613 1.565 . . . . 0.0 113.923 178.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 61.89 32.2 81.1 Favored Glycine 0 CA--C 1.536 1.366 0 O-C-N 120.927 -1.108 . . . . 0.0 114.72 175.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -129.81 157.47 42.14 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 118.641 1.22 . . . . 0.0 113.33 -169.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -140.49 150.73 44.13 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.989 1.315 . . . . 0.0 112.134 -177.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -133.98 120.77 20.71 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 125.8 1.64 . . . . 0.0 110.39 -176.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -89.6 139.25 30.73 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 118.858 0.754 . . . . 0.0 110.242 168.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -131.91 148.34 52.53 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 124.238 1.015 . . . . 0.0 111.017 176.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.5 mp -141.33 122.99 13.81 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 125.291 1.436 . . . . 0.0 109.4 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -78.61 124.29 28.01 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.736 1.214 . . . . 0.0 109.611 169.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -143.89 137.27 27.75 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 113.984 1.105 . . . . 0.0 113.984 -156.128 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -84.04 -52.4 6.33 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 115.789 1.774 . . . . 0.0 115.789 -162.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -110.66 80.92 1.36 Allowed 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.695 0.798 . . . . 0.0 112.446 -165.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -49.39 -34.92 17.47 Favored 'General case' 0 CA--C 1.55 0.945 0 N-CA-C 114.936 1.458 . . . . 0.0 114.936 -174.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -91.66 -13.23 32.14 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 116.086 1.884 . . . . 0.0 116.086 179.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -70.23 -46.7 63.94 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-O 122.619 1.199 . . . . 0.0 108.655 154.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -71.85 -7.8 50.56 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 126.11 1.764 . . . . 0.0 114.611 -171.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -53.43 -32.4 49.66 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.929 0.892 . . . . 0.0 111.733 167.107 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -53.89 -42.18 68.4 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.891 0.877 . . . . 0.0 113.02 170.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.22 -12.86 62.04 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.19 0.996 . . . . 0.0 113.372 -174.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -106.13 -42.17 6.52 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 C-N-CA 123.654 0.782 . . . . 0.0 111.176 168.198 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.8 -14.6 62.03 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 114.94 1.459 . . . . 0.0 114.94 -168.43 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -105.26 2.75 29.31 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 167.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -126.27 -8.06 6.43 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 125.749 1.62 . . . . 0.0 114.234 -172.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -70.3 175.43 4.66 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.887 1.275 . . . . 0.0 112.275 174.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 93.69 50.19 2.38 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.628 -0.989 . . . . 0.0 110.628 -170.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 26.8 p -58.78 149.34 26.76 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 122.501 1.143 . . . . 0.0 113.206 -169.45 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -123.08 129.06 50.98 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 126.479 1.912 . . . . 0.0 109.918 -165.433 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -156.81 170.28 22.83 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.319 1.448 . . . . 0.0 109.752 -174.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 63.97 20.39 12.18 Favored 'General case' 0 N--CA 1.482 1.13 0 N-CA-C 114.733 1.383 . . . . 0.0 114.733 177.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 178.7 -80.52 0.06 OUTLIER Glycine 0 CA--C 1.523 0.531 0 N-CA-C 107.892 -2.083 . . . . 0.0 107.892 178.194 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -64.52 169.48 4.8 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 123.335 0.654 . . . . 0.0 111.958 158.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.67 120.76 18.82 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 127.159 2.184 . . . . 0.0 110.247 164.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 57.9 tp -167.75 122.27 0.98 Allowed 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 126.722 2.009 . . . . 0.0 109.942 164.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 11.4 ttp180 -136.77 140.7 42.74 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.36 1.064 . . . . 0.0 110.815 177.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 39.3 t -144.67 141.02 23.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 125.053 1.341 . . . . 0.0 109.305 -173.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -146.2 145.49 30.46 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.831 0.852 . . . . 0.0 109.309 160.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 31.5 m -105.38 87.84 2.31 Favored Pre-proline 0 N--CA 1.469 0.484 0 O-C-N 121.636 -0.665 . . . . 0.0 109.265 167.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -61.99 -4.9 5.42 Favored 'Trans proline' 0 CA--C 1.542 0.908 0 C-N-CA 122.801 2.334 . . . . 0.0 115.332 -173.106 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -75.74 8.56 2.91 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 115.179 1.548 . . . . 0.0 115.179 166.035 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 18.3 p-10 -67.54 59.49 0.06 Allowed 'General case' 0 CA--C 1.553 1.074 0 N-CA-C 117.476 2.399 . . . . 0.0 117.476 -164.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -129.98 -149.53 0.4 Allowed 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 128.666 2.786 . . . . 0.0 107.04 156.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 67.87 -35.78 0.28 Allowed 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 127.131 2.172 . . . . 0.0 115.117 179.348 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 . . . . . 0 C--O 1.253 1.25 0 C-N-CA 126.318 1.847 . . . . 0.0 113.613 172.082 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 101' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.427 1 O4'-C1'-N19 115.421 7.221 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 102' ' ' ' C' . . . . . 0.406 H5'' ' CZ ' ' A' ' 11' ' ' TYR . . . . . . . . 0 P--O3' 1.571 -2.997 2 C4'-C3'-C2' 97.489 -5.211 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 103' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.328 5 O4'-C1'-N19 114.741 6.541 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.405 0 N19-C1'-C2' 118.299 3.062 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 105' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.977 0 C5'-C4'-C3' 109.782 -3.812 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 106' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.212 0 C5'-C4'-O4' 112.904 2.646 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.71 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 77.9 p -77.94 25.94 0.2 Allowed 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 126.42 1.888 . . . . 0.0 115.138 -174.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -64.96 -41.47 95.43 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.529 1.132 . . . . 0.0 113.773 -172.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.2 mmm 52.49 26.23 4.1 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 126.277 1.831 . . . . 0.0 115.281 174.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 13.3 p -71.16 137.63 23.39 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 124.464 1.106 . . . . 0.0 112.631 -174.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.6 pp -138.55 150.36 24.05 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 126.757 2.023 . . . . 0.0 110.147 173.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 3.6 tpt180 56.14 -170.49 0.08 Allowed 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 125.763 1.625 . . . . 0.0 112.6 -172.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 58.77 22.55 10.18 Favored 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 115.62 1.711 . . . . 0.0 115.62 174.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.7 m -141.17 164.9 29.01 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 126.657 1.983 . . . . 0.0 111.386 -178.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.6 p -135.05 132.91 53.43 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 124.889 1.276 . . . . 0.0 111.848 -177.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 20.8 m -83.2 73.86 10.06 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.716 1.206 . . . . 0.0 112.516 -172.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 71.0 mtt180 -79.3 122.13 25.96 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.573 1.149 . . . . 0.0 110.932 172.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 45.6 mt -81.87 155.82 4.07 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 125.014 1.326 . . . . 0.0 110.265 170.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -140.66 142.04 34.99 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.062 1.345 . . . . 0.0 111.681 166.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 47.3 t -140.23 134.52 35.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.825 0 C-N-CA 126.171 1.788 . . . . 0.0 108.532 167.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -130.31 143.64 14.93 Favored Glycine 0 CA--C 1.532 1.113 0 C-N-CA 124.312 0.958 . . . . 0.0 114.951 -173.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.4 t30 54.68 41.07 32.19 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 125.257 1.423 . . . . 0.0 111.935 -169.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.61 154.92 92.44 Favored Pre-proline 0 CA--C 1.551 1.015 0 C-N-CA 125.273 1.429 . . . . 0.0 112.708 175.798 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -68.41 121.17 8.1 Favored 'Trans proline' 0 CA--C 1.54 0.789 0 C-N-CA 123.07 2.514 . . . . 0.0 111.986 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.4 t 60.89 166.65 0.09 Allowed 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 126.758 2.023 . . . . 0.0 115.071 -175.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 22.2 t-160 -77.66 88.31 3.94 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 120.647 -1.283 . . . . 0.0 109.898 171.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 27.2 m -62.68 150.12 9.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 125.136 1.374 . . . . 0.0 113.0 -178.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 71.1 m -89.9 138.84 31.16 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.837 0.855 . . . . 0.0 111.037 170.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.6 m -55.51 -35.73 65.93 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.445 1.098 . . . . 0.0 113.516 -175.171 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.9 -34.62 69.27 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 125.423 1.489 . . . . 0.0 112.883 178.612 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -72.67 -37.73 67.82 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.518 0.727 . . . . 0.0 111.287 175.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 47.7 t -63.59 -46.16 95.66 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 CA-C-O 119.125 -0.464 . . . . 0.0 110.465 171.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -53.39 -49.2 67.74 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.621 0.769 . . . . 0.0 111.68 173.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -61.89 -37.43 84.55 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 113.059 0.763 . . . . 0.0 113.059 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 63.6 tt0 -73.58 -41.46 62.85 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 118.906 0.775 . . . . 0.0 112.905 175.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -77.64 -30.02 51.96 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 113.909 1.078 . . . . 0.0 113.909 -172.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.0 ppt_? -68.28 0.3 3.96 Favored 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 117.607 2.447 . . . . 0.0 117.607 -166.113 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.425 ' HE3' ' CE2' ' A' ' 31' ' ' TYR . 0.9 OUTLIER -61.33 -27.23 68.34 Favored 'General case' 0 N--CA 1.481 1.101 0 N-CA-C 114.384 1.253 . . . . 0.0 114.384 -178.577 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.425 ' CE2' ' HE3' ' A' ' 30' ' ' LYS . 71.7 m-85 -91.96 -29.53 16.59 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 114.003 1.112 . . . . 0.0 114.003 177.38 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -179.13 171.35 43.33 Favored Glycine 0 CA--C 1.536 1.377 0 C-N-CA 124.93 1.252 . . . . 0.0 112.84 -175.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -85.72 142.86 28.7 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 113.589 0.959 . . . . 0.0 113.589 -176.004 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -88.42 144.88 8.23 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 C-N-CA 126.489 1.916 . . . . 0.0 111.034 166.707 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -97.67 -39.78 8.91 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.503 1.521 . . . . 0.0 112.861 172.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.18 134.38 13.26 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 125.478 1.511 . . . . 0.0 110.341 -168.785 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 24.3 p -142.82 152.93 42.72 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 119.709 1.141 . . . . 0.0 113.249 179.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -151.9 153.0 33.29 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 126.345 1.858 . . . . 0.0 110.655 -174.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 59.5 t -133.96 139.49 48.34 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 C-N-CA 124.974 1.309 . . . . 0.0 110.094 -178.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 61.4 mmtt -137.47 170.28 16.35 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 126.498 1.919 . . . . 0.0 111.875 -167.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.7 161.93 40.19 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 125.165 1.386 . . . . 0.0 112.821 176.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.9 t -114.09 158.33 21.39 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.283 1.433 . . . . 0.0 111.64 172.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 35.6 m -61.51 -19.78 21.52 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 C-N-CA 124.786 1.234 . . . . 0.0 113.211 174.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 24.7 m -72.23 -4.02 26.97 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.785 1.234 . . . . 0.0 114.048 170.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 91.23 -9.3 77.89 Favored Glycine 0 CA--C 1.538 1.504 0 C-N-CA 125.822 1.677 . . . . 0.0 115.608 174.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.83 154.97 40.38 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 118.731 1.265 . . . . 0.0 112.331 172.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -123.64 156.86 35.07 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.217 1.407 . . . . 0.0 112.238 178.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -139.28 144.4 38.34 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 125.883 1.673 . . . . 0.0 110.908 -171.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -127.0 143.97 51.15 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 118.967 0.803 . . . . 0.0 112.042 173.365 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 -137.13 131.23 32.32 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.229 1.412 . . . . 0.0 110.864 -175.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.8 mp -143.08 122.04 8.13 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 124.235 1.014 . . . . 0.0 109.699 -163.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -93.29 109.52 21.06 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.054 0.942 . . . . 0.0 111.488 -175.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -91.6 155.86 18.05 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 113.584 0.957 . . . . 0.0 113.584 179.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -73.91 -20.25 60.45 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 113.82 1.044 . . . . 0.0 113.82 174.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -153.2 140.13 19.17 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 125.643 1.577 . . . . 0.0 112.993 -178.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.76 -45.56 24.29 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 113.664 0.987 . . . . 0.0 113.664 -172.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 -63.42 -26.75 68.88 Favored 'General case' 0 N--CA 1.482 1.166 0 N-CA-C 113.641 0.978 . . . . 0.0 113.641 -172.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -74.31 -51.51 14.99 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.565 1.546 . . . . 0.0 111.61 179.242 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.62 -17.71 61.65 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 113.874 1.064 . . . . 0.0 113.874 173.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.55 -27.77 68.86 Favored 'General case' 0 CA--C 1.549 0.917 0 O-C-N 120.784 -1.197 . . . . 0.0 112.346 170.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -71.85 -23.07 61.47 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 121.265 -0.897 . . . . 0.0 113.374 170.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -77.83 -41.99 35.2 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.836 0.854 . . . . 0.0 112.852 177.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -66.36 -39.58 84.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 O-C-N 121.057 -1.027 . . . . 0.0 111.243 178.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.51 -24.53 64.68 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 114.663 1.357 . . . . 0.0 114.663 -178.596 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -83.51 -20.04 34.65 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-N 119.72 1.146 . . . . 0.0 113.218 171.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -92.03 -1.84 57.02 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 125.875 1.67 . . . . 0.0 113.582 173.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 18.6 p-10 -64.46 169.47 4.75 Favored 'General case' 0 CA--C 1.55 0.976 0 N-CA-C 116.256 1.946 . . . . 0.0 116.256 -162.26 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 95.25 87.06 1.72 Allowed Glycine 0 CA--C 1.531 1.092 0 C-N-CA 125.432 1.491 . . . . 0.0 112.412 -178.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 26.4 p -69.6 151.14 46.3 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 123.66 0.784 . . . . 0.0 111.568 168.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 83.1 m-20 -125.76 144.52 50.6 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.169 1.387 . . . . 0.0 112.271 -179.104 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 9.8 p90 -156.79 166.95 31.92 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 126.727 2.011 . . . . 0.0 111.23 -175.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 58.37 22.99 10.04 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 126.007 1.723 . . . . 0.0 115.252 179.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 173.37 -74.06 0.09 OUTLIER Glycine 0 CA--C 1.529 0.956 0 C-N-CA 125.182 1.372 . . . . 0.0 111.261 175.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 32.7 m-20 -71.07 171.92 10.06 Favored 'General case' 0 CA--C 1.552 1.057 0 C-N-CA 124.355 1.062 . . . . 0.0 111.509 163.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.4 tpmt? -145.87 118.93 8.8 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.119 1.368 . . . . 0.0 111.834 178.58 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.5 mt -166.11 147.18 6.65 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 126.163 1.785 . . . . 0.0 109.953 176.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 30.6 ttm-85 -143.21 137.43 28.97 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-O 121.778 0.799 . . . . 0.0 113.133 169.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -145.56 115.36 1.64 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 C-N-CA 127.049 2.139 . . . . 0.0 108.662 -175.466 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 62.1 tt0 -167.11 129.31 1.69 Allowed 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.631 1.572 . . . . 0.0 108.195 -162.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -117.85 105.06 48.14 Favored Pre-proline 0 N--CA 1.477 0.915 0 CA-C-N 119.964 1.256 . . . . 0.0 111.37 -172.012 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_endo -77.04 45.7 1.76 Allowed 'Trans proline' 0 CA--C 1.551 1.338 0 C-N-CA 124.032 3.155 . . . . 0.0 114.488 -173.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 21.4 m-30 -72.66 -26.95 61.83 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.789 1.236 . . . . 0.0 113.467 172.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 65.7 t30 54.27 34.25 20.04 Favored 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 125.479 1.511 . . . . 0.0 113.577 -176.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -148.62 -38.72 0.17 Allowed 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 115.194 1.553 . . . . 0.0 115.194 -172.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 34.6 mmt180 -129.51 7.88 5.36 Favored 'General case' 0 N--CA 1.484 1.251 0 N-CA-C 115.525 1.676 . . . . 0.0 115.525 -169.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 . . . . . 0 C--O 1.253 1.259 0 CA-C-O 118.173 -0.918 . . . . 0.0 112.7 165.123 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 101' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.63 0 C4'-C3'-C2' 99.429 -3.271 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 102' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.289 1 O4'-C1'-N19 112.962 4.762 . 0.073 1z . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 103' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.324 3 O4'-C1'-N19 116.501 8.301 . 0.028 4a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.626 3.306 3 O4'-C1'-N19 116.465 8.265 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 105' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.261 2 P-O3'-C3' 124.854 4.295 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 106' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.655 0 C3'-C2'-C1' 104.884 3.76 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.647 0 N-CA-C 111.883 -0.487 . . . . 0.0 111.883 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 87.9 p -152.7 153.66 33.71 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.666 1.186 . . . . 0.0 112.33 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 54.7 m80 -131.65 4.38 4.24 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.947 1.299 . . . . 0.0 114.258 -169.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.5 ttp -79.82 159.12 26.61 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.0 0.92 . . . . 0.0 111.334 173.045 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 6.3 t -78.41 62.22 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 C-N-CA 124.891 1.277 . . . . 0.0 111.71 -175.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 29.4 mm -135.03 117.72 22.77 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 126.692 1.997 . . . . 0.0 108.803 178.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.0 tpm_? -65.34 -38.37 89.91 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.204 1.002 . . . . 0.0 113.607 -171.034 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -93.83 11.78 28.15 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.174 1.39 . . . . 0.0 114.303 -176.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.0 t 62.13 174.97 0.13 Allowed 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 125.904 1.681 . . . . 0.0 113.714 -166.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 13.1 p -138.75 137.44 42.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 124.543 1.137 . . . . 0.0 113.234 -158.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 39.2 t -81.89 131.86 35.26 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 124.294 1.038 . . . . 0.0 111.473 172.155 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.9 ptt180 -157.65 136.06 11.15 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 125.134 1.374 . . . . 0.0 112.046 179.04 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 79.5 mt -79.39 144.02 11.59 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 C-N-CA 124.989 1.315 . . . . 0.0 109.507 175.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -121.4 134.02 55.1 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.495 1.518 . . . . 0.0 111.09 170.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 22.9 m -133.03 141.8 43.86 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 C-N-CA 124.381 1.073 . . . . 0.0 109.691 163.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -137.26 171.31 23.2 Favored Glycine 0 CA--C 1.525 0.669 0 C-N-CA 125.398 1.475 . . . . 0.0 112.658 -173.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 45.6 m-20 51.61 27.04 3.67 Favored 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 124.29 1.036 . . . . 0.0 112.329 -176.388 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.7 pp -76.19 153.0 84.29 Favored Pre-proline 0 CA--C 1.549 0.909 0 C-N-CA 124.757 1.223 . . . . 0.0 112.513 -162.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -65.28 117.61 4.73 Favored 'Trans proline' 0 CA--C 1.54 0.785 0 C-N-CA 123.298 2.665 . . . . 0.0 111.659 -176.023 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.2 m 50.08 -117.81 1.08 Allowed 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.367 1.467 . . . . 0.0 111.84 -174.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 44.9 p-80 -152.66 140.33 19.87 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.812 1.245 . . . . 0.0 111.198 173.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 17.4 m -92.07 146.75 5.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 125.214 1.405 . . . . 0.0 110.461 170.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 52.3 p -79.67 167.31 20.84 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 121.506 -0.746 . . . . 0.0 111.459 167.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.0 m -56.52 -30.53 63.15 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.038 0.935 . . . . 0.0 112.703 172.242 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.44 -44.42 44.41 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.676 1.191 . . . . 0.0 111.823 178.19 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -64.48 -47.06 80.38 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 123.553 0.741 . . . . 0.0 111.894 177.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 4.7 p -68.69 -36.02 72.56 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 122.86 0.464 . . . . 0.0 111.968 -178.284 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 51.8 tt0 -62.96 -50.61 70.1 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 121.283 -0.886 . . . . 0.0 111.771 172.26 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -65.72 -29.14 69.62 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -179.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -73.93 -53.68 9.58 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.8 0.84 . . . . 0.0 112.377 172.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -74.55 -16.02 60.84 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 114.873 1.434 . . . . 0.0 114.873 -173.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.87 -27.69 53.0 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-N 120.276 1.398 . . . . 0.0 114.382 177.556 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.74 -23.88 56.06 Favored 'General case' 0 N--CA 1.481 1.119 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 176.347 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -77.4 -35.74 54.02 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.012 1.325 . . . . 0.0 110.657 176.351 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 163.31 -168.21 37.91 Favored Glycine 0 CA--C 1.532 1.105 0 C-N-CA 125.226 1.393 . . . . 0.0 112.92 175.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -73.74 102.4 3.97 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 123.469 0.707 . . . . 0.0 111.632 -178.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -73.09 133.19 32.23 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.542 0 C-N-CA 126.278 1.831 . . . . 0.0 110.45 164.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -98.02 -42.2 7.61 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.205 1.002 . . . . 0.0 112.558 173.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -157.46 150.68 23.6 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 126.295 1.838 . . . . 0.0 110.123 -173.639 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.9 p -142.96 150.38 39.61 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.669 1.187 . . . . 0.0 112.113 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -158.18 157.2 32.23 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.861 1.264 . . . . 0.0 111.643 174.136 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.4 t -128.04 132.5 68.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 125.126 1.37 . . . . 0.0 110.174 178.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.9 174.46 9.72 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 126.017 1.727 . . . . 0.0 111.148 -177.383 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.07 148.66 37.04 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.926 1.291 . . . . 0.0 113.121 177.737 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.5 t -85.74 158.63 19.98 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.383 1.073 . . . . 0.0 111.359 170.292 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 10.1 p -58.08 -23.84 22.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 C-N-CA 124.899 1.28 . . . . 0.0 112.562 168.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.9 t -70.92 -10.74 60.23 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 124.613 1.165 . . . . 0.0 113.834 172.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 97.21 -10.2 65.42 Favored Glycine 0 CA--C 1.539 1.565 0 C-N-CA 126.024 1.773 . . . . 0.0 116.168 172.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.09 148.08 47.83 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 119.166 1.483 . . . . 0.0 112.304 173.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -110.06 150.34 28.7 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.039 1.336 . . . . 0.0 112.465 178.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -140.09 129.42 23.94 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 125.439 1.496 . . . . 0.0 111.02 -175.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -108.42 138.08 45.32 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.354 1.062 . . . . 0.0 110.854 174.012 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -129.78 136.28 49.42 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 125.004 1.321 . . . . 0.0 110.695 -179.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.5 mp -136.67 109.14 7.62 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 C-N-CA 123.935 0.894 . . . . 0.0 110.04 -169.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -67.92 133.03 48.43 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.695 1.198 . . . . 0.0 111.003 177.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -133.83 145.3 49.59 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 124.331 1.052 . . . . 0.0 113.62 -166.163 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -87.2 -41.34 13.8 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 113.574 0.953 . . . . 0.0 113.574 -177.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -123.61 85.52 2.43 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.06 1.344 . . . . 0.0 112.269 -167.263 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.57 -42.06 87.12 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 114.387 1.254 . . . . 0.0 114.387 -174.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.38 -41.56 80.38 Favored 'General case' 0 N--CA 1.481 1.099 0 O-C-N 121.088 -1.007 . . . . 0.0 112.151 178.397 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -66.56 -40.83 89.22 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.38 0.672 . . . . 0.0 110.819 178.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.52 -43.95 97.56 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.178 0.991 . . . . 0.0 112.677 173.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.38 -40.71 75.02 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 113.368 0.877 . . . . 0.0 113.368 -175.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -64.74 -26.73 68.49 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 113.65 0.982 . . . . 0.0 113.65 177.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -90.77 -32.82 15.97 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.556 1.143 . . . . 0.0 113.034 172.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -70.81 -34.73 57.37 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 O-C-N 120.855 -1.153 . . . . 0.0 111.642 -179.627 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.63 -22.22 66.11 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 114.419 1.266 . . . . 0.0 114.419 -174.038 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.94 -14.75 62.48 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 119.723 1.147 . . . . 0.0 113.244 171.375 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 10.7 mmpt? -91.64 2.27 56.58 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 125.246 1.419 . . . . 0.0 113.547 171.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -67.92 170.86 7.48 Favored 'General case' 0 CA--C 1.55 0.98 0 N-CA-C 114.426 1.269 . . . . 0.0 114.426 -173.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 79.2 85.92 0.55 Allowed Glycine 0 CA--C 1.532 1.098 0 C-N-CA 124.593 1.092 . . . . 0.0 112.115 -176.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 29.5 p -64.66 157.37 27.4 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 123.953 0.901 . . . . 0.0 112.537 176.205 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -146.83 146.62 30.29 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.642 1.177 . . . . 0.0 112.488 -173.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -152.32 178.71 9.24 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 125.499 1.52 . . . . 0.0 111.376 -165.314 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 55.65 64.99 1.58 Allowed 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 125.404 1.482 . . . . 0.0 113.574 170.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 101.73 -13.97 57.72 Favored Glycine 0 CA--C 1.536 1.405 0 C-N-CA 125.418 1.485 . . . . 0.0 113.991 -173.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -120.98 164.5 16.64 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.648 1.979 . . . . 0.0 109.635 163.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.29 95.66 2.19 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.455 0.702 . . . . 0.0 111.142 -172.377 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.8 mt -166.92 137.77 3.19 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.924 1.69 . . . . 0.0 110.607 172.175 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 23.9 ttm180 -142.2 138.54 31.56 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.995 1.318 . . . . 0.0 111.028 173.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 98.2 t -143.89 125.1 10.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 125.168 1.387 . . . . 0.0 109.287 -173.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -157.56 131.41 8.07 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.991 0.917 . . . . 0.0 110.854 174.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.4 m -96.4 109.14 46.22 Favored Pre-proline 0 N--CA 1.473 0.707 0 O-C-N 121.468 -0.77 . . . . 0.0 110.614 174.004 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -65.54 -22.41 58.67 Favored 'Trans proline' 0 CA--C 1.541 0.856 0 C-N-CA 122.645 2.23 . . . . 0.0 113.317 -176.113 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 29.7 p90 -74.96 -21.38 59.2 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.449 1.1 . . . . 0.0 113.858 171.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 3.5 m120 58.55 -69.87 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 127.832 2.453 . . . . 0.0 114.248 -169.095 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -160.73 166.6 28.46 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 126.864 2.066 . . . . 0.0 111.12 176.064 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.2 tpm_? -78.26 51.15 0.98 Allowed 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 124.723 1.209 . . . . 0.0 112.624 175.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 . . . . . 0 C--O 1.25 1.131 0 C-N-CA 126.33 1.852 . . . . 0.0 112.884 -173.625 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 101' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.341 1 O4'-C1'-N19 114.04 5.84 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 102' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.049 0 N19-C1'-C2' 119.141 3.588 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 103' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.687 0 O4'-C1'-N19 111.474 3.274 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.617 2.383 0 O4'-C1'-N19 111.802 3.602 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 105' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.892 0 O5'-C5'-C4' 115.772 3.98 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 106' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.447 0 C1'-O4'-C4' 107.471 -2.366 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.621 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 20.2 m -66.49 -39.99 89.04 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 113.971 1.101 . . . . 0.0 113.971 -173.19 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 61.4 t60 52.32 48.17 23.21 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 125.926 1.69 . . . . 0.0 114.009 178.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.9 mtt -114.64 159.57 20.33 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.699 1.6 . . . . 0.0 112.813 -179.229 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 76.7 t -127.46 136.19 61.23 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 126.439 1.895 . . . . 0.0 109.971 -177.06 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . 0.265 24.6 mt 55.6 52.86 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 C-N-CA 125.915 1.686 . . . . 0.0 110.844 -175.011 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -153.17 137.87 16.96 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 126.143 1.777 . . . . 0.0 110.526 172.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -75.77 135.54 40.3 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.481 1.112 . . . . 0.0 111.992 177.095 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.7 m -69.37 126.82 30.94 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.859 0.864 . . . . 0.0 112.009 178.167 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 85.0 t -95.04 118.06 40.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 124.571 1.148 . . . . 0.0 111.093 -176.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 43.7 t -79.88 139.24 37.21 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.25 0.62 . . . . 0.0 111.676 171.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.15 142.74 19.72 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.43 1.092 . . . . 0.0 113.411 174.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.9 mp -78.61 148.99 5.81 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 124.993 1.317 . . . . 0.0 109.549 170.282 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -122.08 142.62 50.17 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.835 1.654 . . . . 0.0 111.33 167.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 47.3 t -135.95 127.71 44.82 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 125.019 1.328 . . . . 0.0 108.684 168.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -115.47 155.99 15.94 Favored Glycine 0 CA--C 1.527 0.8 0 C-N-CA 124.828 1.204 . . . . 0.0 114.38 -174.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.9 m120 52.42 41.38 30.73 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.6 1.16 . . . . 0.0 111.509 -174.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 25.7 tp -58.71 122.01 58.12 Favored Pre-proline 0 CA--C 1.548 0.885 0 C-N-CA 126.963 2.105 . . . . 0.0 112.822 -165.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_endo -77.55 163.7 29.21 Favored 'Trans proline' 0 CA--C 1.541 0.839 0 C-N-CA 123.475 2.784 . . . . 0.0 111.912 167.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.3 t 64.79 -24.77 0.08 Allowed 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 117.162 2.282 . . . . 0.0 117.162 175.316 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 27.6 m170 56.92 55.67 5.97 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 126.327 1.851 . . . . 0.0 112.884 176.403 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 6.0 m -52.7 131.09 14.42 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 125.137 1.375 . . . . 0.0 113.053 -179.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 59.9 m -72.86 166.81 22.24 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.506 1.122 . . . . 0.0 112.027 175.078 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 88.4 p -55.17 -37.76 67.43 Favored 'General case' 0 N--CA 1.477 0.899 0 O-C-N 121.29 -0.881 . . . . 0.0 112.984 178.035 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -64.69 -34.72 78.98 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.959 1.303 . . . . 0.0 113.259 175.684 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 -80.77 -47.18 14.28 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.534 1.134 . . . . 0.0 112.041 -179.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 4.2 p -68.59 -28.65 41.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 C-N-CA 123.486 0.714 . . . . 0.0 112.042 -177.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -56.89 -60.99 2.75 Favored 'General case' 0 N--CA 1.47 0.55 0 O-C-N 121.464 -0.772 . . . . 0.0 111.254 167.097 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.3 m-20 -63.69 -28.6 70.01 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.494 0.718 . . . . 0.0 112.718 -176.091 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -66.04 -52.36 49.84 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 123.491 0.717 . . . . 0.0 112.115 169.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -81.28 -18.64 45.21 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 115.862 1.801 . . . . 0.0 115.862 -172.298 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 19.5 mtp180 -56.56 -26.69 55.8 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-N 121.469 1.94 . . . . 0.0 114.199 178.669 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.25 -28.0 61.02 Favored 'General case' 0 N--CA 1.482 1.154 0 CA-C-N 119.302 0.956 . . . . 0.0 113.492 174.436 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -74.23 -36.67 63.93 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.863 1.265 . . . . 0.0 110.684 174.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 164.68 177.94 37.67 Favored Glycine 0 CA--C 1.534 1.247 0 C-N-CA 125.978 1.752 . . . . 0.0 111.863 177.165 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -78.29 116.7 18.91 Favored 'General case' 0 CA--C 1.547 0.833 0 O-C-N 121.447 -1.031 . . . . 0.0 112.282 -175.269 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -80.77 138.22 20.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 126.739 2.016 . . . . 0.0 111.561 176.647 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -96.65 -43.72 7.44 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.563 1.145 . . . . 0.0 112.587 172.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -155.15 147.32 23.73 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 126.158 1.783 . . . . 0.0 110.388 -178.129 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 29.5 p -145.59 148.93 33.67 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.937 0.895 . . . . 0.0 112.092 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -160.33 162.06 33.38 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.487 1.115 . . . . 0.0 111.741 173.711 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 60.5 t -124.87 129.15 73.56 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 C-N-CA 125.182 1.393 . . . . 0.0 109.865 178.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.85 169.53 8.77 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.894 1.677 . . . . 0.0 111.141 178.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.12 148.93 37.41 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.519 1.128 . . . . 0.0 112.783 173.207 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.9 t -89.58 158.43 17.64 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 124.568 1.147 . . . . 0.0 111.239 171.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 34.9 m -60.69 -19.31 18.89 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 C-N-CA 124.615 1.166 . . . . 0.0 112.959 169.633 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 13.2 t -72.18 -11.68 60.84 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 124.628 1.171 . . . . 0.0 113.377 170.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 98.19 -10.5 63.61 Favored Glycine 0 CA--C 1.539 1.548 0 C-N-CA 126.043 1.783 . . . . 0.0 115.834 173.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.76 150.47 44.4 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 119.0 1.4 . . . . 0.0 112.329 173.355 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -115.91 156.17 26.66 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.313 1.445 . . . . 0.0 112.569 178.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -143.5 124.06 14.03 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.901 1.28 . . . . 0.0 111.302 -174.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -95.13 142.5 27.5 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.675 0.79 . . . . 0.0 111.773 173.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -133.96 132.59 40.35 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.903 1.281 . . . . 0.0 110.304 174.115 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.7 mp -136.68 107.46 5.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 124.136 0.974 . . . . 0.0 110.264 -170.15 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 51.1 tt0 -74.91 132.69 41.64 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.795 1.638 . . . . 0.0 112.235 -177.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -134.84 155.52 50.52 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.695 1.598 . . . . 0.0 113.105 -165.17 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -94.27 -31.51 14.05 Favored 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 114.664 1.357 . . . . 0.0 114.664 179.038 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -126.85 103.96 7.78 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 125.091 1.356 . . . . 0.0 112.465 -176.215 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.87 -54.22 38.27 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.823 1.249 . . . . 0.0 113.577 -178.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -70.75 -24.78 62.68 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 114.067 1.136 . . . . 0.0 114.067 -174.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -70.32 -45.84 65.42 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.533 0.733 . . . . 0.0 111.035 170.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.7 -35.18 80.02 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.76 0.824 . . . . 0.0 113.132 176.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.37 -40.55 74.74 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.965 0.906 . . . . 0.0 112.862 -179.281 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -66.22 -28.29 68.63 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 178.039 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -87.89 -28.58 21.46 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.565 1.146 . . . . 0.0 113.432 175.134 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -77.96 -36.37 21.8 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 O-C-N 121.171 -0.956 . . . . 0.0 111.569 176.666 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.67 -25.39 66.54 Favored 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 114.074 1.139 . . . . 0.0 114.074 -178.125 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -71.83 -7.83 50.71 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-N 119.363 0.983 . . . . 0.0 113.488 172.326 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.0 mmpp? -94.44 -0.72 54.56 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 125.263 1.425 . . . . 0.0 113.785 169.43 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 20.4 p-10 -65.37 171.85 3.63 Favored 'General case' 0 CA--C 1.551 1.007 0 N-CA-C 115.685 1.735 . . . . 0.0 115.685 -166.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 87.97 79.47 1.26 Allowed Glycine 0 CA--C 1.531 1.045 0 C-N-CA 124.925 1.25 . . . . 0.0 110.898 -171.271 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 24.4 p -62.94 139.69 58.77 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.175 0.99 . . . . 0.0 112.671 -177.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -101.25 128.74 47.25 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 125.644 1.578 . . . . 0.0 111.632 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 44.2 p90 -149.82 175.13 11.9 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 127.434 2.294 . . . . 0.0 110.234 -178.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 47.2 tt0 56.76 81.27 0.14 Allowed 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 125.937 1.695 . . . . 0.0 112.666 -178.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 81.58 -43.44 2.93 Favored Glycine 0 CA--C 1.536 1.347 0 C-N-CA 124.976 1.274 . . . . 0.0 113.236 -173.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 36.6 m-20 -77.37 153.84 33.34 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 117.791 0.795 . . . . 0.0 110.624 165.57 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.61 102.51 3.94 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.117 1.367 . . . . 0.0 111.301 177.785 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -165.5 81.99 0.33 Allowed 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.194 1.398 . . . . 0.0 109.796 170.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 14.8 ttm180 -86.46 133.91 33.72 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 120.837 -1.164 . . . . 0.0 111.215 178.357 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.8 m -138.47 123.1 21.99 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 125.271 1.428 . . . . 0.0 110.36 -179.475 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -163.31 153.2 15.45 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 126.072 1.749 . . . . 0.0 109.174 179.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 32.3 m -129.61 135.82 28.14 Favored Pre-proline 0 N--CA 1.477 0.905 0 O-C-N 121.294 -0.879 . . . . 0.0 111.812 175.225 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -68.49 -21.95 39.45 Favored 'Trans proline' 0 CA--C 1.539 0.773 0 C-N-CA 123.315 2.677 . . . . 0.0 113.245 178.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 22.0 p90 -81.97 10.28 6.8 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 114.94 1.459 . . . . 0.0 114.94 179.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -72.33 55.68 0.34 Allowed 'General case' 0 CA--C 1.557 1.227 0 C-N-CA 125.901 1.68 . . . . 0.0 113.674 -179.401 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -151.88 36.87 0.56 Allowed 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 126.891 2.076 . . . . 0.0 111.307 -177.34 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 7.7 tpt180 -121.08 29.0 7.56 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 125.807 1.643 . . . . 0.0 114.16 -165.034 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 . . . . . 0 C--O 1.253 1.278 0 C-N-CA 126.919 2.088 . . . . 0.0 113.645 177.707 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 101' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.552 2.523 2 O4'-C1'-N19 113.514 5.314 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 102' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.38 4 O4'-C1'-N19 114.717 6.517 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 103' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.324 0 O5'-C5'-C4' 115.205 3.575 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.481 2 O4'-C1'-N19 113.707 5.507 . 0.057 4g . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 105' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.489 0 O5'-C5'-C4' 115.739 3.957 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1[' 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 106' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.527 0 C5'-C4'-O4' 112.539 2.385 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.622 0 N-CA-C 111.451 -0.66 . . . . 0.0 111.451 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 38.7 t -153.76 -48.69 0.09 Allowed 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.241 1.016 . . . . 0.0 112.919 178.032 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 17.2 p80 -154.12 164.58 38.27 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.881 1.673 . . . . 0.0 111.465 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.0 mmt -102.33 -52.17 3.19 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 113.89 1.071 . . . . 0.0 113.89 -176.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 5.3 t 49.01 56.66 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.325 0 C-N-CA 125.619 1.568 . . . . 0.0 113.199 173.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 47.9 pt -70.98 -2.65 2.83 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.205 0 N-CA-C 115.189 1.552 . . . . 0.0 115.189 -175.25 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 66.6 mtp180 -101.32 -174.15 2.54 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 127.095 2.158 . . . . 0.0 113.681 -172.177 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 67.32 3.41 3.26 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 128.158 2.583 . . . . 0.0 115.739 178.256 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.0 p -158.19 163.81 37.15 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 127.512 2.325 . . . . 0.0 109.685 174.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.7 p -122.15 -54.94 3.03 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.312 0 N-CA-C 113.867 1.062 . . . . 0.0 113.867 -174.076 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 58.2 m -118.62 110.18 17.02 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.936 1.295 . . . . 0.0 111.289 -172.226 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.69 147.46 42.79 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 114.111 1.152 . . . . 0.0 114.111 -168.178 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.0 mt -82.35 149.99 4.54 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 C-N-CA 125.85 1.66 . . . . 0.0 109.911 160.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -135.09 146.78 49.2 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.988 1.715 . . . . 0.0 110.73 166.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 47.9 t -133.11 123.02 47.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 124.811 1.245 . . . . 0.0 109.456 168.406 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -89.77 136.13 13.33 Favored Glycine 0 CA--C 1.525 0.706 0 C-N-CA 125.266 1.412 . . . . 0.0 113.074 -179.473 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.2 m120 54.2 45.04 28.19 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.285 1.034 . . . . 0.0 112.311 176.459 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.4 tp -50.77 124.48 20.06 Favored Pre-proline 0 CA--C 1.551 0.992 0 C-N-CA 126.919 2.088 . . . . 0.0 112.367 -170.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -71.63 116.94 4.9 Favored 'Trans proline' 0 CA--C 1.54 0.79 0 C-N-CA 122.837 2.358 . . . . 0.0 111.034 176.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.6 t 60.95 162.62 0.06 Allowed 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 126.43 1.892 . . . . 0.0 114.705 -171.267 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 12.2 p80 -85.24 104.21 14.9 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 120.638 -1.289 . . . . 0.0 110.266 175.149 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 17.4 m -77.56 146.61 8.17 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 C-N-CA 123.924 0.889 . . . . 0.0 111.437 178.234 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 55.1 m -81.71 141.52 33.51 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.328 0.651 . . . . 0.0 111.803 174.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 31.0 p -53.34 -59.17 4.91 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.773 1.629 . . . . 0.0 112.764 -178.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.94 -26.27 68.09 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 126.227 1.811 . . . . 0.0 114.783 177.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -75.7 -42.96 49.5 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 119.001 0.819 . . . . 0.0 111.871 175.112 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 90.3 t -64.59 -42.22 94.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 O-C-N 122.014 -0.428 . . . . 0.0 110.754 172.263 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -52.97 -53.79 44.64 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.451 0.7 . . . . 0.0 111.342 172.464 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -61.56 -35.43 77.77 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 113.079 0.77 . . . . 0.0 113.079 -177.022 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 63.0 tt0 -68.6 -43.19 76.96 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 118.721 0.691 . . . . 0.0 112.23 171.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -82.99 -12.28 57.41 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 115.436 1.643 . . . . 0.0 115.436 -172.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -53.97 -26.02 23.67 Favored 'General case' 0 N--CA 1.486 1.335 0 CA-C-N 120.753 1.615 . . . . 0.0 114.342 177.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.432 ' HE3' ' CD1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -69.03 -11.79 61.1 Favored 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 114.927 1.455 . . . . 0.0 114.927 174.384 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.432 ' CD1' ' HE3' ' A' ' 30' ' ' LYS . 47.5 m-85 -101.92 8.27 41.2 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 125.481 1.512 . . . . 0.0 113.34 173.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 124.23 -169.38 16.31 Favored Glycine 0 CA--C 1.534 1.251 0 C-N-CA 125.219 1.39 . . . . 0.0 114.487 176.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -86.36 110.21 19.53 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-O 121.948 0.88 . . . . 0.0 112.163 177.482 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -68.32 139.23 21.02 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 C-N-CA 126.475 1.91 . . . . 0.0 109.943 169.03 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -86.96 -56.87 3.19 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.901 0.881 . . . . 0.0 111.167 175.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.69 159.97 39.98 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 125.379 1.472 . . . . 0.0 112.286 168.089 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 20.6 p -134.84 149.88 50.41 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.442 1.497 . . . . 0.0 111.323 176.194 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -159.13 167.1 30.02 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-O 121.509 0.671 . . . . 0.0 112.061 169.202 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 46.2 t -128.85 128.83 67.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 124.997 1.319 . . . . 0.0 110.308 -175.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.466 ' HE3' ' CD1' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -115.13 170.7 8.16 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.773 1.629 . . . . 0.0 111.042 -178.649 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.51 150.34 34.36 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.433 1.093 . . . . 0.0 113.126 172.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.0 t -90.13 157.17 17.88 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.607 1.163 . . . . 0.0 111.327 170.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.1 p -59.21 -22.6 22.66 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 124.841 1.257 . . . . 0.0 112.63 169.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 13.5 t -68.74 -12.29 61.29 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 124.509 1.124 . . . . 0.0 113.609 171.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 100.98 -11.46 58.88 Favored Glycine 0 CA--C 1.535 1.305 0 C-N-CA 126.032 1.777 . . . . 0.0 115.803 172.282 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.1 141.93 49.18 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 119.015 1.408 . . . . 0.0 112.258 174.185 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -103.96 160.23 15.0 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.149 1.38 . . . . 0.0 112.186 174.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -145.38 121.36 10.69 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.767 1.227 . . . . 0.0 111.57 -177.102 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -92.11 140.92 29.15 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.233 0.613 . . . . 0.0 111.596 172.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.466 ' CD1' ' HE3' ' A' ' 40' ' ' LYS . 69.3 m-85 -138.83 139.82 38.31 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.904 1.282 . . . . 0.0 111.083 174.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.5 mp -140.45 124.37 17.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 125.094 1.357 . . . . 0.0 109.719 -177.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -83.04 132.29 35.13 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.535 0.734 . . . . 0.0 110.729 172.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -140.66 150.01 42.97 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 -166.666 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -87.18 -18.36 30.53 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -168.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -145.4 117.19 8.18 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 119.736 1.153 . . . . 0.0 112.802 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.16 -38.55 80.02 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.26 1.424 . . . . 0.0 113.848 177.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.61 -28.5 30.76 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.492 0.717 . . . . 0.0 112.796 -171.501 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -74.82 -42.46 57.98 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 123.314 0.646 . . . . 0.0 110.617 169.105 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.76 -25.27 67.85 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 114.166 1.173 . . . . 0.0 114.166 174.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.74 -28.96 67.82 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 121.059 -1.026 . . . . 0.0 113.457 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -66.69 -19.66 65.81 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 113.53 0.937 . . . . 0.0 113.53 175.299 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -76.11 -59.29 2.83 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 118.847 0.749 . . . . 0.0 111.353 172.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -57.66 -40.45 75.44 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 O-C-N 121.443 -0.786 . . . . 0.0 111.276 -174.342 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.55 -18.03 65.01 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 115.032 1.493 . . . . 0.0 115.032 -179.749 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -99.02 -24.42 14.92 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-N 119.804 1.184 . . . . 0.0 113.461 170.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -84.84 -0.38 53.77 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.089 1.356 . . . . 0.0 113.479 173.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 21.1 p-10 -66.38 178.6 1.17 Allowed 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 126.126 1.77 . . . . 0.0 115.532 -170.087 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 96.05 69.41 1.02 Allowed Glycine 0 CA--C 1.528 0.897 0 C-N-CA 125.329 1.442 . . . . 0.0 111.203 -174.012 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 9.7 p -66.42 118.23 9.78 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.275 1.03 . . . . 0.0 111.669 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -88.5 135.7 33.35 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.187 0.995 . . . . 0.0 112.922 179.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 45.2 p90 -148.81 170.97 17.04 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 127.485 2.314 . . . . 0.0 109.984 175.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 49.0 tt0 55.72 82.62 0.1 Allowed 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 126.182 1.793 . . . . 0.0 113.786 179.479 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 84.56 -9.09 65.91 Favored Glycine 0 CA--C 1.537 1.467 0 C-N-CA 124.822 1.201 . . . . 0.0 114.982 -178.308 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 71.6 m-80 -130.89 148.54 52.67 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 126.523 1.929 . . . . 0.0 109.686 168.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.71 101.68 5.78 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.647 1.579 . . . . 0.0 109.65 -175.767 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -166.29 70.13 0.12 Allowed 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.603 1.161 . . . . 0.0 111.016 175.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 50.3 ttm-85 -76.47 149.66 36.76 Favored 'General case' 0 N--CA 1.478 0.941 0 O-C-N 120.589 -1.319 . . . . 0.0 112.544 178.533 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -145.63 121.64 3.62 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 125.434 1.494 . . . . 0.0 110.224 178.376 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -162.86 151.75 14.78 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 127.238 2.215 . . . . 0.0 108.494 178.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 28.1 m -129.38 112.14 18.03 Favored Pre-proline 0 N--CA 1.475 0.814 0 CA-C-N 119.704 1.138 . . . . 0.0 112.333 -176.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -72.55 88.12 0.9 Allowed 'Trans proline' 0 CA--C 1.547 1.125 0 C-N-CA 123.368 2.712 . . . . 0.0 113.097 178.335 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -117.53 42.1 2.67 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 126.983 2.113 . . . . 0.0 111.067 169.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -74.53 41.62 0.15 Allowed 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 125.864 1.665 . . . . 0.0 114.358 -172.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -142.46 15.16 2.0 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 126.535 1.934 . . . . 0.0 113.767 -174.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.2 tpt180 -140.1 18.17 2.44 Favored 'General case' 0 N--CA 1.483 1.217 0 N-CA-C 115.008 1.484 . . . . 0.0 115.008 -171.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 19.1 tp10 . . . . . 0 N--CA 1.482 1.154 0 C-N-CA 126.591 1.957 . . . . 0.0 112.354 -178.799 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 101' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.544 1 O4'-C1'-N19 114.997 6.797 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 102' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.182 1 O4'-C1'-N19 113.147 4.947 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 103' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.675 3 O5'-C5'-C4' 117.223 5.016 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.617 2.407 3 O4'-C1'-N19 119.318 11.118 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 105' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.705 0 O4'-C1'-N19 111.69 3.49 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 106' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.675 0 C5'-C4'-C3' 111.811 -2.459 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.558 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 9.0 t -70.12 169.74 12.91 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.845 0.858 . . . . 0.0 112.503 172.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 36.6 m80 62.47 163.87 0.1 Allowed 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 127.325 2.25 . . . . 0.0 113.929 -168.293 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.9 ttp -151.34 137.97 18.76 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.328 1.051 . . . . 0.0 111.598 174.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.2 p -154.43 142.58 13.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 126.057 1.743 . . . . 0.0 109.587 176.477 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 11.5 tt -161.89 159.88 1.6 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 126.191 1.796 . . . . 0.0 110.202 175.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -121.67 129.39 52.74 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 124.678 1.191 . . . . 0.0 111.787 178.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 55.62 27.79 11.02 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 126.035 1.734 . . . . 0.0 114.285 -177.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . 0.298 65.5 p 49.89 -105.52 0.18 Allowed 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 127.197 2.199 . . . . 0.0 113.123 -169.68 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.3 m 41.0 70.97 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 C-N-CA 127.339 2.256 . . . . 0.0 112.72 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.9 p -43.33 114.29 0.61 Allowed 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 126.861 2.064 . . . . 0.0 113.853 -172.489 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.35 137.51 50.4 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.475 1.11 . . . . 0.0 112.95 -178.254 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.6 mt -75.51 138.49 20.78 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 168.101 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -109.38 137.69 46.86 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.644 1.578 . . . . 0.0 109.763 167.111 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.7 m -136.36 134.36 49.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 124.068 0.947 . . . . 0.0 109.512 163.288 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -126.6 157.6 20.41 Favored Glycine 0 CA--C 1.528 0.845 0 C-N-CA 125.972 1.748 . . . . 0.0 113.146 -173.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 59.6 m-80 55.11 24.59 6.28 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 124.476 1.11 . . . . 0.0 113.157 -175.018 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -65.82 142.13 97.99 Favored Pre-proline 0 CA--C 1.549 0.933 0 C-N-CA 123.789 0.835 . . . . 0.0 112.776 -171.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -70.01 162.41 42.29 Favored 'Trans proline' 0 CA--C 1.542 0.877 0 C-N-CA 122.783 2.322 . . . . 0.0 111.2 164.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 31.5 p 56.39 -12.43 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 129.198 2.999 . . . . 0.0 118.525 174.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 52.53 55.23 9.39 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 126.684 1.994 . . . . 0.0 113.291 172.319 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 12.8 p -50.06 128.25 6.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 125.36 1.464 . . . . 0.0 113.231 -172.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 40.9 m -68.06 157.66 34.72 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.033 1.333 . . . . 0.0 112.935 -176.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 65.5 p -55.22 -46.06 75.94 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.361 1.065 . . . . 0.0 112.713 177.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.57 -38.41 77.83 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 126.051 1.741 . . . . 0.0 113.316 176.475 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -78.23 -49.52 13.59 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 123.674 0.789 . . . . 0.0 112.275 177.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.0 p -66.83 -35.4 74.66 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 123.084 0.554 . . . . 0.0 111.761 -175.466 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -57.06 -58.88 6.27 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 118.941 0.791 . . . . 0.0 111.355 174.003 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -68.63 -25.76 65.01 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 113.139 0.792 . . . . 0.0 113.139 -174.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -70.89 -44.31 66.54 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 121.634 -0.667 . . . . 0.0 112.128 168.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -79.36 -17.73 53.88 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 113.707 1.003 . . . . 0.0 113.707 -175.328 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 51.8 mtp180 -52.44 -27.94 18.06 Favored 'General case' 0 N--CA 1.486 1.337 0 CA-C-N 120.077 1.308 . . . . 0.0 114.003 172.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.57 -32.59 74.31 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.65 1.18 . . . . 0.0 112.535 174.659 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -92.48 -14.88 27.81 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.91 1.284 . . . . 0.0 114.311 -178.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 170.17 173.57 37.63 Favored Glycine 0 CA--C 1.532 1.137 0 CA-C-N 119.467 1.03 . . . . 0.0 114.203 175.594 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -69.96 104.19 2.46 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 121.819 -0.813 . . . . 0.0 110.182 171.106 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.2 tp -84.14 122.01 37.29 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 C-N-CA 126.696 1.998 . . . . 0.0 110.337 175.113 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -87.42 -49.74 7.02 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.034 1.334 . . . . 0.0 112.751 178.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -156.67 146.14 20.63 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 125.825 1.65 . . . . 0.0 111.912 -176.587 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 21.4 p -146.51 151.67 37.74 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.579 1.151 . . . . 0.0 112.416 176.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -162.91 161.52 25.82 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.444 1.498 . . . . 0.0 111.522 175.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 22.9 t -107.8 130.7 59.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 125.138 1.375 . . . . 0.0 110.465 175.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.0 170.97 8.09 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 126.526 1.93 . . . . 0.0 110.729 177.76 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.3 161.09 41.07 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 124.723 1.209 . . . . 0.0 113.559 178.52 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 9.9 t -116.16 160.68 20.04 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 125.569 1.548 . . . . 0.0 112.169 177.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 34.6 m -61.93 -20.17 23.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 125.466 1.506 . . . . 0.0 113.425 175.084 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 13.1 t -70.35 -11.9 61.22 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.529 1.132 . . . . 0.0 113.341 171.164 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 94.82 -7.73 70.52 Favored Glycine 0 CA--C 1.534 1.278 0 C-N-CA 125.797 1.665 . . . . 0.0 115.226 177.244 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.04 154.28 41.92 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 118.513 1.157 . . . . 0.0 112.265 171.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -128.12 156.13 43.33 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.347 1.459 . . . . 0.0 111.457 177.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -145.24 123.49 12.24 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.385 1.074 . . . . 0.0 111.507 -169.234 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -93.14 136.71 33.15 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 118.545 0.612 . . . . 0.0 111.028 170.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -123.91 132.45 53.74 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.851 1.261 . . . . 0.0 109.895 176.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.3 mp -135.32 105.35 5.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 124.596 1.159 . . . . 0.0 110.305 -169.145 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -85.45 110.83 19.45 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 125.603 1.561 . . . . 0.0 113.373 -170.392 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -101.65 157.31 16.92 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.94 1.296 . . . . 0.0 114.262 178.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 46.0 tp10 -82.83 -29.39 29.51 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 125.561 1.544 . . . . 0.0 113.317 166.063 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -121.1 89.06 3.06 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.195 1.398 . . . . 0.0 113.369 -165.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.35 -42.17 95.2 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 114.553 1.316 . . . . 0.0 114.553 -174.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -69.6 -36.36 76.13 Favored 'General case' 0 N--CA 1.48 1.043 0 O-C-N 120.811 -1.181 . . . . 0.0 112.565 178.342 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -70.47 -40.63 73.53 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 123.114 0.566 . . . . 0.0 110.853 177.101 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.68 -26.08 67.8 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.869 1.268 . . . . 0.0 113.976 174.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.41 -22.6 66.28 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 113.682 0.993 . . . . 0.0 113.682 178.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -67.18 -21.49 65.79 Favored 'General case' 0 CA--C 1.543 0.711 0 O-C-N 120.975 -1.078 . . . . 0.0 113.313 173.238 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -76.03 -54.4 6.91 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 119.063 0.847 . . . . 0.0 111.256 171.329 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -60.44 -40.45 84.23 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 O-C-N 121.598 -0.689 . . . . 0.0 110.798 -174.613 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.72 -9.18 41.53 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 115.517 1.673 . . . . 0.0 115.517 -178.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -109.02 -19.46 13.38 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 113.992 1.108 . . . . 0.0 113.992 168.553 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 11.0 mmpt? -88.81 -14.52 36.8 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 125.024 1.33 . . . . 0.0 113.949 174.329 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 54.2 p30 -62.25 174.36 0.94 Allowed 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 125.671 1.588 . . . . 0.0 115.246 -177.355 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 88.13 65.9 1.32 Allowed Glycine 0 CA--C 1.532 1.151 0 C-N-CA 124.772 1.177 . . . . 0.0 111.661 -171.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 28.9 p -62.15 154.39 27.36 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.14 0.976 . . . . 0.0 112.448 176.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -148.62 152.26 36.43 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.228 1.011 . . . . 0.0 112.468 -174.056 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 2.5 p90 -161.17 170.27 20.66 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.574 1.549 . . . . 0.0 111.834 -160.501 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 59.57 21.51 10.09 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 125.733 1.613 . . . . 0.0 114.656 -179.309 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 175.33 -64.45 0.1 Allowed Glycine 0 CA--C 1.529 0.918 0 C-N-CA 125.26 1.41 . . . . 0.0 111.244 176.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -77.52 156.05 31.22 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.808 0.843 . . . . 0.0 111.562 167.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -121.27 107.24 12.3 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 126.452 1.901 . . . . 0.0 109.383 176.135 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.1 mt -171.43 129.89 0.7 Allowed 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 126.059 1.744 . . . . 0.0 110.324 168.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 18.6 ttm180 -140.27 140.43 35.73 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.677 1.191 . . . . 0.0 110.998 171.073 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 86.2 t -145.41 123.97 5.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 125.319 1.448 . . . . 0.0 108.67 -171.016 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -157.57 158.3 35.35 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 124.111 0.964 . . . . 0.0 111.495 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 4.1 m -123.13 129.02 25.11 Favored Pre-proline 0 N--CA 1.472 0.674 0 C-N-CA 124.107 0.963 . . . . 0.0 111.169 173.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -70.04 -26.08 26.63 Favored 'Trans proline' 0 CA--C 1.541 0.873 0 C-N-CA 122.669 2.246 . . . . 0.0 112.361 173.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 44.8 p90 -80.89 -32.22 34.9 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 113.94 1.089 . . . . 0.0 113.94 -179.143 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 51.37 68.55 0.78 Allowed 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 126.234 1.814 . . . . 0.0 113.371 178.41 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 54.64 -146.08 0.58 Allowed 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 125.465 1.506 . . . . 0.0 112.693 -172.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -148.91 -49.51 0.15 Allowed 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 124.401 1.08 . . . . 0.0 112.097 -179.054 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 . . . . . 0 C--O 1.254 1.303 0 C-N-CA 125.47 1.508 . . . . 0.0 113.36 174.141 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 101' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.227 0 C4'-C3'-C2' 99.309 -3.391 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 102' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.198 1 O4'-C1'-N19 115.161 6.961 . 0.053 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 103' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.185 0 O3'-P-O5' 97.153 -3.604 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.994 1 C5'-C4'-C3' 108.978 -4.348 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 105' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.687 0 O5'-C5'-C4' 115.748 3.963 . 0.0 OUTLIER '7D dist 5z' 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 106' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.964 0 O4'-C1'-N19 111.734 3.534 . 0.496 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.429 0 N-CA-C 108.989 -1.645 . . . . 0.0 108.989 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 23.4 m -149.61 67.77 1.01 Allowed 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 121.657 0.741 . . . . 0.0 111.432 -140.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -158.22 123.63 4.45 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 125.78 1.632 . . . . 0.0 108.296 -169.327 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.453 ' HG3' ' H ' ' A' ' 2' ' ' VAL . 13.7 ptt? -155.03 -96.47 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 119.229 0.922 . . . . 0.0 112.778 179.59 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.453 ' H ' ' HG3' ' A' ' 1' ' ' MET . 38.3 t -76.57 83.88 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 CA-C-N 119.368 0.985 . . . . 0.0 110.707 -175.254 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 19.5 tt -159.09 156.71 3.57 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 126.065 1.746 . . . . 0.0 109.778 178.362 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.1 mmt180 -107.44 -22.07 12.69 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 115.135 1.532 . . . . 0.0 115.135 -179.458 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -98.35 166.0 11.59 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 124.718 1.207 . . . . 0.0 111.602 165.074 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.3 t -90.32 145.14 25.2 Favored 'General case' 0 N--CA 1.479 0.981 0 O-C-N 120.671 -1.268 . . . . 0.0 111.998 174.262 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 15.9 t -94.83 85.83 1.81 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 123.935 0.894 . . . . 0.0 111.562 -175.342 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.4 p -66.13 129.31 39.36 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.855 1.262 . . . . 0.0 112.978 175.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.2 mtm180 -135.12 159.71 40.68 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.38 1.072 . . . . 0.0 113.171 -175.242 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 51.2 mt -114.07 147.06 17.84 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 C-N-CA 127.138 2.175 . . . . 0.0 109.074 176.106 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -136.95 145.69 44.51 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.371 1.468 . . . . 0.0 111.94 -178.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 21.0 t -135.49 112.09 13.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 O-C-N 121.275 -0.891 . . . . 0.0 110.939 169.147 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -79.03 138.7 21.06 Favored Glycine 0 CA--C 1.528 0.847 0 C-N-CA 125.493 1.52 . . . . 0.0 114.185 176.354 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 10.9 m120 60.77 32.3 20.17 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 126.198 1.799 . . . . 0.0 113.926 178.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.7 tt -70.36 121.8 84.46 Favored Pre-proline 0 CA--C 1.548 0.896 0 C-N-CA 125.052 1.341 . . . . 0.0 111.245 177.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -74.07 173.05 14.74 Favored 'Trans proline' 0 CA--C 1.541 0.846 0 C-N-CA 123.215 2.61 . . . . 0.0 111.79 170.175 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.4 t -71.66 46.68 0.12 Allowed 'General case' 0 N--CA 1.482 1.17 0 CA-C-O 122.71 1.243 . . . . 0.0 114.01 176.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 38.1 t60 -71.09 -28.33 64.25 Favored 'General case' 0 CA--C 1.538 0.506 0 O-C-N 120.189 -1.569 . . . . 0.0 111.527 166.485 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 27.0 m -137.22 135.57 47.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 125.625 1.57 . . . . 0.0 110.652 177.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 95.5 p -89.81 171.49 9.58 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.163 0.985 . . . . 0.0 111.41 173.086 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 65.4 p -60.63 -23.39 64.72 Favored 'General case' 0 N--CA 1.477 0.925 0 O-C-N 120.871 -1.143 . . . . 0.0 113.821 176.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.85 -55.88 12.8 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.791 1.236 . . . . 0.0 111.527 162.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -71.92 -25.97 62.11 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 114.091 1.145 . . . . 0.0 114.091 -165.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 80.5 t -55.35 -31.45 27.19 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 123.825 0.85 . . . . 0.0 111.724 171.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 70.0 tt0 -65.86 -55.18 18.35 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 119.811 1.187 . . . . 0.0 112.457 176.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -61.66 -33.41 73.92 Favored 'General case' 0 N--CA 1.468 0.452 0 O-C-N 121.787 -0.571 . . . . 0.0 112.182 175.275 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -67.19 -49.54 64.25 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 177.07 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -82.74 -15.8 50.45 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 114.857 1.429 . . . . 0.0 114.857 -176.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 25.0 mtt-85 -56.82 -27.73 60.45 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 114.689 1.366 . . . . 0.0 114.689 172.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.54 -25.97 61.58 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-N 119.56 1.073 . . . . 0.0 113.301 173.359 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -70.29 -50.93 34.35 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.498 0.719 . . . . 0.0 109.338 -175.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 176.69 -154.32 16.05 Favored Glycine 0 CA--C 1.537 1.421 0 C-N-CA 125.375 1.464 . . . . 0.0 111.924 176.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -71.98 85.09 0.98 Allowed 'General case' 0 CA--C 1.547 0.861 0 CA-C-N 118.177 0.988 . . . . 0.0 112.141 174.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -69.79 136.48 26.08 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 C-N-CA 126.234 1.814 . . . . 0.0 110.268 162.304 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 62.2 mt -104.72 -44.82 4.76 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.036 1.334 . . . . 0.0 112.717 178.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -150.61 152.21 33.71 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 126.403 1.881 . . . . 0.0 110.672 -176.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 13.1 p -141.17 153.69 45.46 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.655 1.582 . . . . 0.0 111.149 177.215 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -164.21 173.22 12.63 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.082 0.953 . . . . 0.0 111.947 163.085 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 27.9 m -121.64 123.58 69.74 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 124.702 1.201 . . . . 0.0 112.149 174.231 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 78.0 mttt -91.37 163.76 14.08 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 125.725 1.61 . . . . 0.0 110.983 170.193 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.56 165.59 29.9 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 125.541 1.537 . . . . 0.0 109.877 159.462 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.2 p -128.11 -179.71 5.14 Favored 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 112.929 0.714 . . . . 0.0 112.929 -178.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 29.2 t -60.84 -14.74 10.22 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 124.555 1.142 . . . . 0.0 112.573 173.027 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.3 t -70.12 -11.85 61.19 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.008 1.323 . . . . 0.0 113.629 169.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 76.93 -20.24 3.06 Favored Glycine 0 CA--C 1.537 1.424 0 O-C-N 120.139 -1.601 . . . . 0.0 114.305 -173.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.98 136.86 58.21 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.776 1.231 . . . . 0.0 111.819 170.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -108.13 162.32 14.17 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.972 1.309 . . . . 0.0 111.855 174.236 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -148.0 128.47 14.03 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 125.431 1.492 . . . . 0.0 110.554 -164.173 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -91.86 141.36 28.73 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 118.595 0.634 . . . . 0.0 111.454 169.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -133.39 139.27 46.68 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 124.611 1.165 . . . . 0.0 110.591 169.425 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.5 mp -141.66 140.64 30.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 124.545 1.138 . . . . 0.0 110.499 -176.261 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -110.97 138.9 46.81 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 125.311 1.444 . . . . 0.0 112.954 -176.524 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -142.62 137.82 30.29 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.062 1.345 . . . . 0.0 112.404 -169.214 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -81.15 -30.6 34.43 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 112.991 0.738 . . . . 0.0 112.991 167.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -108.73 70.7 0.75 Allowed 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.646 1.178 . . . . 0.0 113.07 -172.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -53.6 -51.1 64.1 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.585 1.154 . . . . 0.0 112.399 176.458 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.89 8.57 1.16 Allowed 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 115.852 1.797 . . . . 0.0 115.852 178.369 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -112.98 -54.05 2.66 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.868 1.667 . . . . 0.0 109.23 173.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.38 -17.43 64.53 Favored 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 114.784 1.402 . . . . 0.0 114.784 175.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.62 -47.02 77.25 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 114.009 1.115 . . . . 0.0 114.009 -177.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -62.65 -40.31 96.63 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 119.374 0.988 . . . . 0.0 112.067 179.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.8 -26.66 67.8 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.474 0.709 . . . . 0.0 112.572 176.406 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.6 mm -74.98 -46.91 38.9 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 123.856 0.862 . . . . 0.0 112.194 168.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . 0.349 0.0 OUTLIER -78.32 -6.47 55.17 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 115.488 1.662 . . . . 0.0 115.488 -175.887 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -73.68 -3.77 30.23 Favored 'General case' 0 CA--C 1.552 1.02 0 O-C-N 120.979 -1.076 . . . . 0.0 113.655 158.075 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -121.94 16.96 10.94 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 127.243 2.217 . . . . 0.0 113.206 177.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 38.4 p-10 -74.49 178.66 5.13 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-O 121.92 0.867 . . . . 0.0 113.071 -177.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 86.49 83.63 1.12 Allowed Glycine 0 CA--C 1.527 0.832 0 C-N-CA 124.263 0.935 . . . . 0.0 111.586 -176.501 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 23.1 p -67.72 166.44 15.21 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-O 122.62 1.2 . . . . 0.0 112.894 178.327 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -136.45 134.2 37.44 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 126.6 1.96 . . . . 0.0 111.014 -170.134 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 7.4 p90 -157.15 162.2 39.37 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.889 1.276 . . . . 0.0 111.967 -167.213 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 61.73 -15.07 0.05 OUTLIER 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 128.612 2.765 . . . . 0.0 118.058 177.082 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -148.48 -58.93 0.01 OUTLIER Glycine 0 CA--C 1.528 0.877 0 C-N-CA 125.163 1.364 . . . . 0.0 110.92 173.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 58.6 m-20 -72.35 162.96 28.76 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 123.031 0.532 . . . . 0.0 110.027 157.255 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.43 120.99 12.5 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.279 1.032 . . . . 0.0 111.306 170.664 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.9 mt -171.07 124.73 0.64 Allowed 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 126.255 1.822 . . . . 0.0 109.161 164.098 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 31.0 ttm180 -122.24 78.29 1.48 Allowed 'General case' 0 N--CA 1.48 1.035 0 O-C-N 121.54 -0.725 . . . . 0.0 111.008 173.325 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 82.5 t -64.53 125.24 20.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 163.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -154.4 152.21 29.92 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.584 1.154 . . . . 0.0 109.767 -176.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 7.2 p -129.33 84.07 63.38 Favored Pre-proline 0 CA--C 1.541 0.631 0 O-C-N 121.137 -0.977 . . . . 0.0 112.572 -157.488 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -71.17 59.79 2.4 Favored 'Trans proline' 0 CA--C 1.55 1.303 0 C-N-CA 124.586 3.524 . . . . 0.0 113.313 172.202 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 19.8 m-30 -84.73 -12.93 52.77 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.378 1.471 . . . . 0.0 112.887 162.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 14.4 m120 58.77 19.37 6.84 Favored 'General case' 0 CA--C 1.555 1.153 0 C-N-CA 125.776 1.631 . . . . 0.0 114.467 -176.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 52.02 163.95 0.01 OUTLIER 'General case' 0 CA--C 1.554 1.116 0 C-N-CA 126.304 1.842 . . . . 0.0 114.205 -163.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -142.11 111.7 6.65 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 120.28 -1.513 . . . . 0.0 110.974 -172.168 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 . . . . . 0 C--O 1.253 1.254 0 C-N-CA 126.956 2.102 . . . . 0.0 115.201 -174.521 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 101' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.241 2 O4'-C1'-N19 113.833 5.633 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 102' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.373 1 N19-C1'-C2' 121.294 4.934 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 103' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.448 0 O4'-C1'-N19 112.062 3.862 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.824 1 C3'-C2'-C1' 105.235 4.15 OUTLIER-EPSILON 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 105' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.379 2 P-O3'-C3' 125.356 4.713 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 106' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.727 0 O4'-C1'-N19 111.1 2.9 . 0.311 6g . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.386 0 N-CA-C 109.9 -1.28 . . . . 0.0 109.9 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 35.3 t -151.49 -55.6 0.14 Allowed 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.955 0.902 . . . . 0.0 110.962 164.221 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 38.4 t-80 -151.02 144.52 24.93 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 125.718 1.607 . . . . 0.0 111.069 178.403 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 42.2 mtt -105.22 144.64 31.74 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.789 1.236 . . . . 0.0 113.124 178.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 12.2 p -60.66 143.75 14.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 123.967 0.907 . . . . 0.0 111.074 166.499 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -70.39 111.17 4.0 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 123.502 0.721 . . . . 0.0 109.821 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 6.5 tpt180 -157.05 146.85 20.69 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.678 1.591 . . . . 0.0 110.778 179.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.483 ' HG2' ' H ' ' A' ' 6' ' ' SER . 16.8 tt0 58.48 -172.48 0.1 Allowed 'General case' 0 CA--C 1.556 1.195 0 C-N-CA 125.19 1.396 . . . . 0.0 112.928 -175.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.483 ' H ' ' HG2' ' A' ' 5' ' ' GLU . 84.9 p -83.86 -121.51 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.264 1.426 . . . . 0.0 110.798 170.432 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 3.2 t 52.78 49.3 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.209 0 C-N-CA 126.09 1.756 . . . . 0.0 111.596 179.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 37.7 m -63.61 134.16 54.98 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.188 0.995 . . . . 0.0 110.515 -177.639 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 39.0 ttp85 -148.96 130.93 15.26 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 119.285 0.948 . . . . 0.0 113.432 -175.077 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 84.1 mt -85.05 150.41 3.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 C-N-CA 125.899 1.679 . . . . 0.0 110.767 174.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -129.82 143.48 50.83 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 126.371 1.868 . . . . 0.0 111.075 173.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.2 p -142.66 128.51 17.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 124.486 1.115 . . . . 0.0 108.212 163.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -127.22 152.99 18.9 Favored Glycine 0 CA--C 1.525 0.719 0 C-N-CA 125.645 1.593 . . . . 0.0 111.947 -173.099 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 43.2 m-80 50.71 44.86 27.6 Favored 'General case' 0 CA--C 1.547 0.835 0 O-C-N 121.969 -0.724 . . . . 0.0 110.171 -162.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.6 pp -61.7 152.47 75.2 Favored Pre-proline 0 CA--C 1.55 0.951 0 C-N-CA 124.136 0.974 . . . . 0.0 113.176 -169.431 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -71.7 140.64 36.12 Favored 'Trans proline' 0 CA--C 1.538 0.683 0 C-N-CA 123.04 2.493 . . . . 0.0 111.753 -177.247 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 25.0 t 50.52 -125.63 2.25 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 124.517 1.127 . . . . 0.0 110.795 -174.458 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 62.0 t-80 -143.72 110.47 5.6 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.189 0.996 . . . . 0.0 110.239 159.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 25.4 m -82.73 133.21 29.6 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 123.709 0.803 . . . . 0.0 112.121 -174.402 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 60.3 m -77.59 144.37 37.56 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.477 0.711 . . . . 0.0 110.671 168.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 64.0 p -56.43 -40.84 75.41 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.974 0.91 . . . . 0.0 113.144 -177.328 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.4 tmm_? -59.83 -35.62 75.11 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.789 1.235 . . . . 0.0 112.829 176.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -68.83 -46.67 67.98 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.068 0.547 . . . . 0.0 111.081 -178.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -71.87 -34.81 52.5 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 122.586 0.354 . . . . 0.0 111.6 177.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -60.3 -48.5 81.48 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.878 0.871 . . . . 0.0 111.61 173.113 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -67.31 -29.57 69.19 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 113.057 0.762 . . . . 0.0 113.057 178.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.0 tp10 -68.82 -47.01 67.13 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.897 0.879 . . . . 0.0 112.252 171.004 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -78.39 -30.2 47.72 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 114.825 1.417 . . . . 0.0 114.825 -175.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.8 ppt_? -61.9 -16.83 53.83 Favored 'General case' 0 N--CA 1.483 1.196 0 N-CA-C 115.876 1.806 . . . . 0.0 115.876 -172.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.97 -9.43 58.63 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 114.324 1.231 . . . . 0.0 114.324 170.701 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -102.89 0.32 32.3 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.788 1.635 . . . . 0.0 113.756 176.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 142.89 179.06 19.32 Favored Glycine 0 CA--C 1.529 0.921 0 C-N-CA 125.013 1.292 . . . . 0.0 113.253 178.385 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -73.59 110.93 8.27 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 122.015 -0.697 . . . . 0.0 111.994 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -82.08 135.56 24.7 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 125.775 1.63 . . . . 0.0 109.364 163.547 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.4 mp -102.47 -32.78 9.79 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.179 1.392 . . . . 0.0 112.989 -179.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 52.3 tptt -153.08 135.71 15.23 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 126.001 1.72 . . . . 0.0 110.018 -177.256 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 50.6 t -140.27 127.28 20.82 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.871 1.268 . . . . 0.0 109.026 175.397 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -159.92 162.11 34.42 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-O 121.573 0.702 . . . . 0.0 112.881 177.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.1 p -123.63 139.51 49.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 125.718 1.607 . . . . 0.0 111.53 -174.498 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.571 ' HE3' ' CG ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -132.1 167.22 20.12 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 126.732 2.013 . . . . 0.0 110.624 -174.713 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.38 153.97 42.5 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 124.34 1.056 . . . . 0.0 113.45 178.089 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.6 t -101.07 158.59 15.9 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 125.219 1.408 . . . . 0.0 111.562 173.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 34.7 m -61.57 -19.33 20.64 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 C-N-CA 124.756 1.222 . . . . 0.0 113.245 171.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 12.9 t -71.03 -11.79 61.16 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 124.56 1.144 . . . . 0.0 113.51 170.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 97.58 -9.86 64.6 Favored Glycine 0 CA--C 1.538 1.487 0 C-N-CA 125.76 1.648 . . . . 0.0 115.629 174.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.75 153.9 41.68 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 118.787 1.293 . . . . 0.0 112.316 172.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -127.91 152.01 48.38 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.085 1.354 . . . . 0.0 112.141 178.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -140.53 130.82 25.09 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 125.196 1.398 . . . . 0.0 111.396 -170.239 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -111.12 135.26 51.91 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.784 0.834 . . . . 0.0 111.436 175.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.571 ' CG ' ' HE3' ' A' ' 40' ' ' LYS . 5.1 m-85 -124.79 128.02 48.09 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 126.297 1.839 . . . . 0.0 109.257 -171.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.7 mp -134.99 108.45 9.98 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 123.964 0.906 . . . . 0.0 110.106 -171.137 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -97.4 140.08 32.38 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.661 1.584 . . . . 0.0 112.286 -173.148 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -143.01 149.03 37.74 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.39 1.476 . . . . 0.0 113.171 -152.692 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 26.9 tp10 -71.52 -29.59 64.95 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 124.306 1.042 . . . . 0.0 113.653 175.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -142.54 122.35 13.5 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 125.483 1.513 . . . . 0.0 112.655 -179.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.16 -56.34 21.84 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.581 1.152 . . . . 0.0 112.423 172.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.469 ' H ' ' HD3' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -62.32 -30.16 70.96 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 114.71 1.374 . . . . 0.0 114.71 -174.64 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -75.75 -42.08 51.48 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 122.905 0.482 . . . . 0.0 110.833 178.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.86 -22.98 60.69 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.405 1.082 . . . . 0.0 113.741 173.412 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.25 -27.6 68.57 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 120.973 -1.079 . . . . 0.0 113.3 179.118 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -64.48 -27.82 69.24 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 173.208 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -75.62 -51.31 13.12 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 123.003 0.521 . . . . 0.0 110.726 166.068 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -59.11 -39.03 77.56 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.591 0 C-N-CA 123.266 0.627 . . . . 0.0 112.261 -171.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.54 -19.3 63.7 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 114.207 1.188 . . . . 0.0 114.207 176.457 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.93 -27.19 23.49 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.453 1.101 . . . . 0.0 112.139 172.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 67.4 mmtt -79.9 -28.23 39.87 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 124.331 1.052 . . . . 0.0 113.182 170.425 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -54.57 150.01 9.87 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.39 1.476 . . . . 0.0 114.078 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 128.25 66.94 0.13 Allowed Glycine 0 CA--C 1.531 1.059 0 C-N-CA 125.724 1.631 . . . . 0.0 110.554 -172.149 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 26.3 p -63.25 146.38 53.55 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.072 0.949 . . . . 0.0 113.208 -173.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -148.37 137.24 21.7 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.186 1.394 . . . . 0.0 111.364 -166.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 4.0 p90 -161.58 174.36 13.47 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 126.489 1.916 . . . . 0.0 111.371 -162.2 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 56.58 42.98 26.4 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 125.21 1.404 . . . . 0.0 114.226 174.262 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 142.33 -26.47 2.29 Favored Glycine 0 CA--C 1.533 1.176 0 C-N-CA 125.933 1.73 . . . . 0.0 112.899 -179.311 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 51.2 m-20 -119.6 162.35 19.09 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 126.495 1.918 . . . . 0.0 110.336 170.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.53 100.29 6.4 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.412 1.485 . . . . 0.0 109.403 177.55 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -167.8 85.1 0.21 Allowed 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 124.767 1.227 . . . . 0.0 111.317 172.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -94.25 125.5 38.93 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 120.075 -1.641 . . . . 0.0 110.706 169.292 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 6.7 t -121.1 130.24 74.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 124.707 1.203 . . . . 0.0 109.24 179.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -161.05 153.45 20.38 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.458 1.103 . . . . 0.0 110.448 -163.193 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -148.01 135.26 10.46 Favored Pre-proline 0 N--CA 1.477 0.897 0 C-N-CA 124.482 1.113 . . . . 0.0 111.735 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -71.53 -29.69 16.04 Favored 'Trans proline' 0 CA--C 1.542 0.892 0 C-N-CA 122.888 2.392 . . . . 0.0 112.478 175.44 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 17.4 p90 -81.38 15.66 1.94 Allowed 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 114.954 1.464 . . . . 0.0 114.954 -177.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -72.29 46.65 0.15 Allowed 'General case' 0 CA--C 1.555 1.154 0 C-N-CA 126.407 1.883 . . . . 0.0 115.596 -170.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -138.91 8.0 2.51 Favored 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 127.527 2.331 . . . . 0.0 112.572 171.58 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 8.3 tpt85 -80.56 4.97 16.69 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 126.011 1.724 . . . . 0.0 114.856 -173.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 36.1 tp10 . . . . . 0 C--O 1.251 1.165 0 C-N-CA 127.067 2.147 . . . . 0.0 112.217 -176.9 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 101' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.17 0 O4'-C1'-N19 111.909 3.709 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 102' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.549 2.25 1 O4'-C1'-N19 113.249 5.049 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 103' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.82 0 P-O3'-C3' 124.093 3.661 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 104' ' ' ' U' . . . . . 0.439 " O4'" ' HE2' ' A' ' 40' ' ' LYS . . . . . . . . 0 O4'--C4' 1.423 -2.494 0 C3'-C2'-C1' 104.789 3.655 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 105' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.797 0 C5'-C4'-C3' 112.176 -2.216 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 106' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.94 0 C5'-C4'-C3' 111.426 -2.716 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.588 0 N-CA-C 110.649 -0.98 . . . . 0.0 110.649 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 50.1 m -139.98 101.37 4.15 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.976 1.311 . . . . 0.0 110.506 -175.33 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 72.5 m80 -144.22 153.62 42.26 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.077 1.351 . . . . 0.0 112.174 -173.003 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.7 mtt -72.14 157.65 37.36 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.176 0.99 . . . . 0.0 111.785 171.281 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.5 p -146.64 141.37 20.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 124.735 1.214 . . . . 0.0 111.384 176.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 33.5 mm -139.55 148.53 23.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 126.931 2.092 . . . . 0.0 109.369 -174.222 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? 59.64 58.61 2.82 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 125.788 1.635 . . . . 0.0 112.03 -179.46 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 62.06 177.58 0.13 Allowed 'General case' 0 CA--C 1.555 1.143 0 C-N-CA 126.641 1.976 . . . . 0.0 114.243 178.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.6 p -150.47 162.47 40.52 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.288 1.435 . . . . 0.0 112.011 -177.439 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 8.4 p -150.43 143.9 17.23 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 125.058 1.343 . . . . 0.0 110.953 175.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 34.1 t -75.35 129.95 38.22 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 124.089 0.955 . . . . 0.0 111.935 177.223 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.8 138.83 29.0 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 113.373 0.879 . . . . 0.0 113.373 161.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 23.5 mt -74.06 150.92 7.33 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 125.185 1.394 . . . . 0.0 109.907 171.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 37.8 t80 -131.09 142.43 50.27 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.655 1.582 . . . . 0.0 111.823 173.432 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.3 p -148.83 136.56 14.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 125.889 1.675 . . . . 0.0 109.025 167.557 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -133.92 150.88 20.06 Favored Glycine 0 CA--C 1.527 0.828 0 C-N-CA 125.497 1.522 . . . . 0.0 113.414 -172.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 54.9 36.31 26.4 Favored 'General case' 0 CA--C 1.551 0.993 0 O-C-N 122.152 -0.616 . . . . 0.0 110.906 -163.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.6 pp -62.11 149.75 85.72 Favored Pre-proline 0 CA--C 1.55 0.959 0 C-N-CA 124.341 1.056 . . . . 0.0 112.549 -166.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -65.9 125.0 13.46 Favored 'Trans proline' 0 CA--C 1.538 0.679 0 C-N-CA 123.226 2.617 . . . . 0.0 112.077 -172.044 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.0 t 53.59 -120.18 1.63 Allowed 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.836 1.254 . . . . 0.0 111.64 -171.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 17.7 t-80 -148.84 166.37 28.7 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.861 1.664 . . . . 0.0 110.549 169.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.5 p -148.36 137.02 15.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 124.176 0.99 . . . . 0.0 112.072 -173.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 58.0 m -84.42 154.95 22.49 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.374 1.07 . . . . 0.0 112.391 178.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 61.5 p -55.71 -40.07 71.91 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.226 1.01 . . . . 0.0 112.496 174.252 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.96 -38.89 70.97 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.981 1.712 . . . . 0.0 112.999 172.777 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -73.23 -48.78 32.13 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 123.377 0.671 . . . . 0.0 111.959 179.292 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 11.2 m -67.94 -32.99 58.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 CA-C-N 118.717 0.689 . . . . 0.0 112.661 178.54 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 57.6 tt0 -58.79 -49.58 77.16 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 119.476 1.034 . . . . 0.0 111.445 170.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -69.13 -35.34 76.29 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 112.961 0.726 . . . . 0.0 112.961 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.9 tp10 -72.06 -53.21 13.56 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.392 1.077 . . . . 0.0 112.882 -179.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 50.4 m-85 -80.62 -19.06 46.25 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 114.66 1.356 . . . . 0.0 114.66 -170.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -55.41 -25.82 38.09 Favored 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 115.365 1.617 . . . . 0.0 115.365 -175.775 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.69 -28.54 58.69 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.101 0.961 . . . . 0.0 112.69 178.111 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -83.31 -18.04 40.4 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.252 1.421 . . . . 0.0 113.203 176.451 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 171.0 152.88 8.48 Favored Glycine 0 CA--C 1.529 0.945 0 C-N-CA 125.016 1.293 . . . . 0.0 111.281 173.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 54.9 t30 -66.83 115.15 6.28 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 117.669 0.734 . . . . 0.0 110.772 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -78.38 136.15 24.58 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.499 0 C-N-CA 125.58 1.552 . . . . 0.0 111.318 -177.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.9 mp -96.73 -42.03 8.2 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.245 1.018 . . . . 0.0 112.976 175.44 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 59.5 tttp -156.41 142.61 18.21 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 126.07 1.748 . . . . 0.0 110.308 179.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.3 p -152.38 127.28 9.62 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.75 0.82 . . . . 0.0 111.723 178.428 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -156.18 166.48 33.31 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.732 1.613 . . . . 0.0 111.043 -174.05 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 28.1 t -127.54 126.71 67.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 124.62 1.168 . . . . 0.0 111.242 -174.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.65 170.4 8.39 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 126.146 1.778 . . . . 0.0 111.018 176.043 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.86 151.8 39.29 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.498 1.119 . . . . 0.0 112.824 168.443 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 12.8 t -97.32 162.52 13.3 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.786 1.234 . . . . 0.0 112.143 175.569 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 34.3 m -61.89 -23.81 32.45 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 124.961 1.305 . . . . 0.0 113.105 175.008 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 18.5 m -74.71 -1.84 23.68 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.07 1.348 . . . . 0.0 114.025 171.365 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 93.41 -9.05 74.75 Favored Glycine 0 CA--C 1.536 1.387 0 C-N-CA 125.684 1.611 . . . . 0.0 116.373 171.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.83 142.8 48.02 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 119.244 1.522 . . . . 0.0 112.5 176.194 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -103.42 151.81 22.35 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.199 1.4 . . . . 0.0 112.037 174.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -140.32 116.62 10.63 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.983 1.313 . . . . 0.0 111.706 -175.319 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -94.76 141.03 29.1 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 123.244 0.618 . . . . 0.0 111.905 176.415 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 43.2 m-85 -131.69 133.39 44.81 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 125.464 1.506 . . . . 0.0 109.805 177.68 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.6 mp -138.41 117.57 14.2 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 125.043 1.337 . . . . 0.0 109.254 -173.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -96.81 136.99 36.58 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.548 1.539 . . . . 0.0 113.584 -172.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -131.13 157.11 44.01 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.749 1.62 . . . . 0.0 114.358 -170.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -89.78 -9.12 50.43 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 115.182 1.549 . . . . 0.0 115.182 174.566 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -145.17 121.62 11.0 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.85 1.26 . . . . 0.0 112.204 172.122 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.48 -54.67 21.35 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.898 1.279 . . . . 0.0 113.078 -178.035 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.02 -15.26 63.43 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 114.826 1.417 . . . . 0.0 114.826 -176.242 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -80.17 -49.53 11.54 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 123.599 0.76 . . . . 0.0 110.779 169.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.25 -27.09 68.76 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.294 1.038 . . . . 0.0 113.413 175.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -54.91 -29.93 57.21 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.603 1.161 . . . . 0.0 113.619 176.079 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -65.46 -21.78 66.68 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 177.211 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -78.87 -51.0 10.31 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 119.206 0.912 . . . . 0.0 111.456 168.028 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -64.94 -33.98 67.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 123.303 0.641 . . . . 0.0 112.106 -172.601 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.79 -22.79 62.33 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 173.158 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -82.44 -28.92 31.02 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.229 1.411 . . . . 0.0 111.659 171.626 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 9.7 mmpt? -76.58 -5.69 48.79 Favored 'General case' 0 N--CA 1.482 1.174 0 N-CA-C 114.055 1.131 . . . . 0.0 114.055 169.421 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -63.93 169.32 4.34 Favored 'General case' 0 CA--C 1.551 0.984 0 N-CA-C 116.095 1.887 . . . . 0.0 116.095 -164.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 87.36 83.23 1.19 Allowed Glycine 0 CA--C 1.53 1.026 0 C-N-CA 124.964 1.269 . . . . 0.0 111.769 -176.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 25.1 p -65.39 152.2 44.45 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 123.866 0.866 . . . . 0.0 112.508 176.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -140.05 131.99 27.71 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.099 1.36 . . . . 0.0 111.741 -167.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 5.0 p90 -157.82 176.46 12.54 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 126.243 1.817 . . . . 0.0 111.882 -165.291 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 75.3 mt-10 57.72 23.09 9.11 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 126.242 1.817 . . . . 0.0 115.299 175.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 157.54 -46.02 0.48 Allowed Glycine 0 CA--C 1.528 0.895 0 C-N-CA 125.777 1.656 . . . . 0.0 111.361 177.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -81.65 159.32 24.02 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.243 1.017 . . . . 0.0 110.819 163.371 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.14 100.39 4.85 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.705 1.602 . . . . 0.0 109.672 174.789 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -165.15 85.66 0.4 Allowed 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.62 1.168 . . . . 0.0 109.79 175.768 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 23.7 ttm180 -89.37 129.33 35.91 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 120.579 -1.325 . . . . 0.0 110.81 177.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.0 m -134.71 132.14 54.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 125.466 1.506 . . . . 0.0 109.898 176.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -159.41 154.07 24.39 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.28 1.432 . . . . 0.0 109.542 179.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 14.9 p -125.41 126.96 25.04 Favored Pre-proline 0 CA--C 1.543 0.711 0 C-N-CA 123.951 0.9 . . . . 0.0 111.146 -178.228 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -78.2 -30.71 3.27 Favored 'Trans proline' 0 C--N 1.354 0.853 0 C-N-CA 122.88 2.387 . . . . 0.0 112.795 178.295 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 41.3 p90 -82.61 178.35 8.25 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.004 1.322 . . . . 0.0 112.229 170.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -149.02 -165.87 2.4 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 124.65 1.18 . . . . 0.0 110.647 175.393 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.58 148.59 23.61 Favored 'General case' 0 CA--C 1.549 0.924 0 O-C-N 121.395 -0.816 . . . . 0.0 111.353 168.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -136.27 134.59 38.18 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.654 1.182 . . . . 0.0 111.337 -170.008 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 . . . . . 0 C--O 1.252 1.21 0 C-N-CA 127.84 2.456 . . . . 0.0 111.547 -179.833 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 101' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.185 1 O4'-C1'-N19 113.389 5.189 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 102' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.547 2.113 1 O4'-C1'-N19 114.226 6.026 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 103' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.154 0 O3'-P-O5' 97.427 -3.46 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.938 1 O4'-C1'-N19 114.602 6.402 . 0.014 4n . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 105' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.415 0 C4'-C3'-C2' 99.694 -3.006 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 106' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.663 0 P-O3'-C3' 123.109 2.841 . 0.032 5q . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.603 0 N-CA-C 111.973 -0.451 . . . . 0.0 111.973 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 18.0 m 57.94 27.22 14.4 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 125.734 1.613 . . . . 0.0 115.211 177.28 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -74.58 140.66 44.54 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.277 1.031 . . . . 0.0 111.951 -178.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.9 mtp 50.17 59.63 4.41 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 125.533 1.533 . . . . 0.0 113.86 173.283 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 35.9 m -57.68 147.24 6.38 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 C-N-CA 124.629 1.172 . . . . 0.0 113.249 -178.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 36.7 pt -114.68 -4.41 11.29 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.21 0 N-CA-C 114.615 1.339 . . . . 0.0 114.615 -175.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.32 8.76 4.69 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 125.568 1.547 . . . . 0.0 114.566 -178.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -143.34 31.33 1.36 Allowed 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 125.765 1.626 . . . . 0.0 111.09 178.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.3 m -63.8 136.3 57.31 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.526 1.531 . . . . 0.0 112.48 -174.66 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 82.8 t -106.5 117.12 51.68 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 124.493 1.117 . . . . 0.0 110.032 176.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 27.2 p -78.16 131.35 37.16 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.365 1.066 . . . . 0.0 110.734 169.109 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.72 150.44 32.1 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.42 1.088 . . . . 0.0 112.476 176.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.9 mp -69.47 151.82 9.66 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 124.056 0.942 . . . . 0.0 110.147 172.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 13.6 t80 -127.15 125.69 41.6 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.434 1.094 . . . . 0.0 110.642 159.578 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.3 m -134.76 136.83 51.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 125.377 1.471 . . . . 0.0 108.738 167.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -153.94 164.48 31.32 Favored Glycine 0 CA--C 1.53 1.028 0 N-CA-C 115.885 1.114 . . . . 0.0 115.885 -165.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 56.9 t30 54.53 34.67 21.67 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 126.007 1.723 . . . . 0.0 113.052 -177.317 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.6 mp -72.2 148.46 91.29 Favored Pre-proline 0 CA--C 1.546 0.81 0 C-N-CA 125.121 1.369 . . . . 0.0 112.333 -172.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -65.78 135.43 41.49 Favored 'Trans proline' 0 CA--C 1.538 0.72 0 C-N-CA 122.508 2.139 . . . . 0.0 110.587 167.011 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.4 t 62.7 -32.1 0.1 Allowed 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 127.765 2.426 . . . . 0.0 116.716 -175.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . 0.292 0.0 OUTLIER 65.97 148.34 0.04 OUTLIER 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 128.749 2.82 . . . . 0.0 114.978 -173.109 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.7 m -94.82 132.26 39.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 125.257 1.423 . . . . 0.0 112.398 -176.653 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 87.4 p -69.23 168.72 13.55 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.544 1.138 . . . . 0.0 111.791 170.359 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 68.8 p -57.94 -35.99 71.88 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 120.827 -1.171 . . . . 0.0 112.617 173.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.1 tmm_? -66.19 -45.93 79.11 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.494 1.118 . . . . 0.0 112.074 172.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -66.86 -36.51 82.48 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 112.849 0.685 . . . . 0.0 112.849 177.419 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.3 t -59.92 -52.12 64.87 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 123.692 0.797 . . . . 0.0 110.523 171.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 69.3 tt0 -59.31 -47.73 84.28 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 119.394 0.997 . . . . 0.0 111.825 177.625 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -64.93 -39.48 93.57 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 -176.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.4 tp10 -74.05 -50.68 18.6 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 123.557 0.743 . . . . 0.0 112.149 177.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -75.2 -12.9 60.39 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 114.181 1.178 . . . . 0.0 114.181 -174.007 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 26.2 mtt-85 -54.79 -27.69 43.54 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 114.756 1.391 . . . . 0.0 114.756 171.037 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.65 -23.57 42.44 Favored 'General case' 0 N--CA 1.483 1.206 0 CA-C-N 119.502 1.046 . . . . 0.0 113.478 174.444 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -78.21 -36.92 46.59 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.996 1.318 . . . . 0.0 110.982 177.384 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -179.89 178.97 48.81 Favored Glycine 0 CA--C 1.536 1.39 0 C-N-CA 124.29 0.947 . . . . 0.0 113.786 178.006 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -77.14 92.73 3.82 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.707 0.803 . . . . 0.0 110.527 174.245 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -59.72 124.27 13.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 124.171 0.989 . . . . 0.0 110.78 178.627 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 39.6 mt -99.32 -33.58 10.66 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.739 0.816 . . . . 0.0 112.427 176.279 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.87 144.18 21.19 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 126.091 1.756 . . . . 0.0 110.089 175.376 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.2 p -150.69 152.77 34.43 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.577 0.751 . . . . 0.0 112.434 174.339 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -157.82 172.3 18.73 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.379 1.071 . . . . 0.0 112.638 -178.679 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.7 p -130.34 140.77 48.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 125.493 1.517 . . . . 0.0 111.524 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 60.9 mmtt -134.34 169.51 17.11 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 126.767 2.027 . . . . 0.0 110.348 -178.239 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.5 152.37 34.11 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.422 1.089 . . . . 0.0 113.553 179.724 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.5 t -95.15 155.83 16.57 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 125.072 1.349 . . . . 0.0 111.82 171.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 35.3 m -61.38 -18.02 17.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 124.777 1.231 . . . . 0.0 113.166 168.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.5 t -70.02 -13.17 62.1 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 124.493 1.117 . . . . 0.0 113.355 170.325 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 103.5 -12.43 54.32 Favored Glycine 0 CA--C 1.535 1.322 0 C-N-CA 125.946 1.736 . . . . 0.0 115.731 171.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.46 145.64 47.44 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 119.095 1.447 . . . . 0.0 112.216 173.622 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -117.58 156.45 28.08 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.528 1.531 . . . . 0.0 111.401 174.179 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -151.13 140.52 21.44 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 124.107 0.963 . . . . 0.0 112.858 -173.178 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -105.26 147.73 27.75 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.193 1.397 . . . . 0.0 112.313 178.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -134.67 137.56 43.69 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 125.725 1.61 . . . . 0.0 110.796 -177.44 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.7 mp -141.04 127.03 19.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 124.631 1.172 . . . . 0.0 110.874 -169.06 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -95.48 131.68 41.39 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 126.35 1.86 . . . . 0.0 111.579 178.37 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -128.39 152.88 47.68 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.188 1.395 . . . . 0.0 113.347 176.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 -72.58 -22.1 61.04 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 114.606 1.335 . . . . 0.0 114.606 177.151 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -137.47 112.9 9.34 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.454 1.502 . . . . 0.0 111.989 -177.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.8 -51.24 65.69 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.358 1.063 . . . . 0.0 112.499 179.081 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.63 -20.65 66.39 Favored 'General case' 0 N--CA 1.48 1.048 0 N-CA-C 115.032 1.493 . . . . 0.0 115.032 -177.03 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -74.34 -51.04 16.3 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.278 0.631 . . . . 0.0 110.997 172.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.58 -28.48 66.0 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.4 -38.96 72.23 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.848 0.859 . . . . 0.0 113.252 -177.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -69.41 -30.48 68.45 Favored 'General case' 0 CA--C 1.546 0.811 0 O-C-N 121.312 -0.868 . . . . 0.0 113.162 178.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -82.98 -28.49 29.7 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.456 1.102 . . . . 0.0 113.283 176.029 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -80.96 -37.23 15.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 O-C-N 121.267 -0.896 . . . . 0.0 111.672 177.368 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.96 -24.85 66.1 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 114.279 1.214 . . . . 0.0 114.279 -176.134 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -68.2 -11.19 58.85 Favored 'General case' 0 N--CA 1.477 0.886 0 O-C-N 121.11 -0.994 . . . . 0.0 113.285 172.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 68.3 mmtt -99.06 5.68 46.92 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 126.19 1.796 . . . . 0.0 113.383 175.006 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 20.6 p-10 -68.91 174.62 4.27 Favored 'General case' 0 CA--C 1.551 1.018 0 N-CA-C 114.349 1.24 . . . . 0.0 114.349 -176.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 78.2 85.62 0.5 Allowed Glycine 0 CA--C 1.53 0.987 0 C-N-CA 124.786 1.184 . . . . 0.0 111.732 -176.107 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 23.5 p -65.87 133.51 51.07 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-O 121.932 0.872 . . . . 0.0 112.547 -176.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -96.99 137.6 35.82 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.865 1.666 . . . . 0.0 112.055 177.026 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 43.4 p90 -150.91 170.54 19.06 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 126.849 2.06 . . . . 0.0 110.27 178.283 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 46.4 tt0 56.87 75.57 0.35 Allowed 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 125.634 1.574 . . . . 0.0 113.077 -178.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 103.15 -69.74 0.3 Allowed Glycine 0 N--CA 1.47 0.943 0 C-N-CA 125.565 1.555 . . . . 0.0 111.87 -176.295 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -72.49 154.18 40.97 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 117.428 0.614 . . . . 0.0 111.047 167.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 8.7 ptpt -151.89 98.94 2.52 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.191 0.996 . . . . 0.0 112.932 -175.631 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.7 mp -154.27 113.33 3.69 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 126.951 2.1 . . . . 0.0 108.043 171.203 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 22.5 ttm-85 -112.43 134.81 53.76 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 119.259 0.936 . . . . 0.0 111.08 176.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 89.4 t -144.4 131.35 16.35 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 125.618 1.567 . . . . 0.0 109.26 -174.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -154.49 141.47 19.26 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.565 1.146 . . . . 0.0 109.799 172.12 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 7.4 p -113.89 119.69 40.49 Favored Pre-proline 0 CA--C 1.542 0.637 0 C-N-CA 123.891 0.876 . . . . 0.0 110.645 179.527 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -73.17 -25.4 15.94 Favored 'Trans proline' 0 CA--C 1.54 0.8 0 C-N-CA 122.574 2.182 . . . . 0.0 112.903 178.123 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 47.9 p90 -85.56 28.03 0.79 Allowed 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.07 1.348 . . . . 0.0 113.586 173.429 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -53.09 -22.21 5.82 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.902 1.281 . . . . 0.0 114.11 178.078 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -132.96 152.72 51.89 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.277 1.431 . . . . 0.0 110.047 155.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 41.2 ttp180 -65.44 -33.31 75.65 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.213 1.005 . . . . 0.0 112.817 -178.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 . . . . . 0 C--O 1.254 1.3 0 C-N-CA 126.782 2.033 . . . . 0.0 112.096 -175.422 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 101' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.267 1 O4'-C1'-N19 113.224 5.024 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 102' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.258 0 O4'-C1'-N19 111.911 3.711 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 103' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.541 1 C5'-C4'-C3' 109.184 -4.21 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.311 5 O4'-C1'-N19 119.116 10.916 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 105' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.442 0 O4'-C1'-N19 111.772 3.572 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 106' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.08 0 C5'-C4'-C3' 111.16 -2.894 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.491 0 N-CA-C 111.349 -0.7 . . . . 0.0 111.349 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 93.4 p -156.46 161.75 40.04 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.559 1.544 . . . . 0.0 111.384 178.173 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 79.3 m80 -133.8 51.75 2.11 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.643 1.177 . . . . 0.0 113.267 -167.12 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.9 mtm -123.23 -14.82 7.4 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 115.048 1.499 . . . . 0.0 115.048 179.164 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 35.0 m -83.21 -29.46 8.0 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.151 0 CA-C-N 119.741 1.155 . . . . 0.0 113.794 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . 0.25 9.7 mt 57.21 45.86 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.554 1.1 0 C-N-CA 126.092 1.757 . . . . 0.0 112.62 175.414 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -141.41 81.0 1.76 Allowed 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 126.449 1.9 . . . . 0.0 109.518 169.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -156.74 166.23 33.99 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.749 1.22 . . . . 0.0 112.875 -176.21 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 p -59.0 162.36 4.3 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 127.034 2.134 . . . . 0.0 112.854 167.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.48 HG11 ' H ' ' A' ' 8' ' ' SER 0.356 11.7 p -102.8 -101.84 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 O-C-N 121.04 -1.037 . . . . 0.0 113.586 -166.731 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.48 ' H ' HG11 ' A' ' 7' ' ' VAL . 33.5 t -81.49 104.51 11.97 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.848 1.259 . . . . 0.0 110.964 -172.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 78.7 mtm180 -123.53 135.27 53.93 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.298 1.439 . . . . 0.0 113.78 -167.558 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 34.6 mt -80.45 148.45 5.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 C-N-CA 125.419 1.487 . . . . 0.0 110.224 168.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -123.25 133.69 54.17 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.166 0.986 . . . . 0.0 111.021 158.467 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.7 t -128.86 139.31 52.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 126.313 1.845 . . . . 0.0 107.16 170.011 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -147.04 159.2 27.96 Favored Glycine 0 CA--C 1.526 0.77 0 CA-C-N 119.478 1.036 . . . . 0.0 115.456 -171.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 10.9 m120 55.19 20.5 3.44 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 125.572 1.549 . . . . 0.0 113.248 -172.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.2 pp -67.75 148.91 98.47 Favored Pre-proline 0 CA--C 1.547 0.86 0 C-N-CA 125.471 1.508 . . . . 0.0 112.619 -168.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -68.11 132.8 27.04 Favored 'Trans proline' 0 CA--C 1.538 0.714 0 C-N-CA 123.189 2.593 . . . . 0.0 111.989 -178.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.7 t 55.99 -159.02 0.22 Allowed 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 125.113 1.365 . . . . 0.0 112.815 -173.647 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 23.6 t60 -127.48 87.99 2.72 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.525 1.53 . . . . 0.0 110.067 178.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.4 m -63.96 144.66 14.45 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 124.633 1.173 . . . . 0.0 113.403 -170.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.9 m -83.24 140.49 32.49 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.268 1.027 . . . . 0.0 112.353 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 30.3 t -50.03 -52.86 30.9 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.423 1.489 . . . . 0.0 113.842 -173.541 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.49 -18.65 65.48 Favored 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 114.833 1.42 . . . . 0.0 114.833 -178.815 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -77.47 -46.08 23.64 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 118.503 0.592 . . . . 0.0 110.524 176.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -75.03 -28.71 21.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 123.173 0.589 . . . . 0.0 111.943 177.799 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.76 -42.75 75.9 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 121.203 -0.935 . . . . 0.0 111.58 170.208 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 47.7 m-80 -72.5 -14.55 61.69 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 114.521 1.304 . . . . 0.0 114.521 177.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.6 tp10 -81.71 -46.51 14.18 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 119.261 0.937 . . . . 0.0 111.301 165.547 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -77.99 -28.1 49.21 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 115.277 1.584 . . . . 0.0 115.277 -173.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -55.59 -24.21 31.57 Favored 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 115.584 1.698 . . . . 0.0 115.584 -174.193 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.07 -9.95 59.01 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 114.903 1.446 . . . . 0.0 114.903 176.127 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 74.1 m-85 -103.89 6.65 36.56 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 125.225 1.41 . . . . 0.0 113.097 175.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 135.21 169.95 12.01 Favored Glycine 0 CA--C 1.532 1.133 0 C-N-CA 125.849 1.69 . . . . 0.0 112.646 -178.177 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -66.61 130.75 44.21 Favored 'General case' 0 CA--C 1.538 0.503 0 O-C-N 121.594 -0.945 . . . . 0.0 110.83 174.09 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -88.96 136.23 23.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.413 0 C-N-CA 125.291 1.436 . . . . 0.0 109.707 167.585 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -99.36 -34.01 10.47 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.784 0.834 . . . . 0.0 112.934 -178.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.9 tmtm? -157.35 138.18 13.28 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 126.474 1.91 . . . . 0.0 108.997 -174.427 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 44.2 t -147.8 118.85 7.69 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.394 1.077 . . . . 0.0 110.32 -178.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -151.72 157.93 42.7 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 124.972 1.309 . . . . 0.0 112.111 179.464 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 15.5 t -129.36 127.92 65.74 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 124.308 1.043 . . . . 0.0 110.387 -171.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.478 ' HE3' ' CD1' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -113.51 174.5 5.89 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 127.011 2.124 . . . . 0.0 111.042 -174.955 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.7 152.43 36.63 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.064 0.946 . . . . 0.0 113.465 173.456 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.5 t -91.47 158.09 16.68 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.797 1.239 . . . . 0.0 111.591 170.219 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 34.9 m -61.1 -19.42 19.99 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 124.909 1.283 . . . . 0.0 113.155 169.564 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 12.2 t -71.1 -11.69 61.09 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 124.612 1.165 . . . . 0.0 113.389 170.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 100.6 -10.68 59.33 Favored Glycine 0 CA--C 1.538 1.522 0 C-N-CA 125.89 1.71 . . . . 0.0 115.87 172.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.26 138.08 47.21 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 119.038 1.419 . . . . 0.0 112.234 174.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -97.88 152.27 19.38 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.817 1.247 . . . . 0.0 111.998 172.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -139.84 124.3 18.09 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 124.938 1.295 . . . . 0.0 112.097 -177.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -97.66 136.7 37.65 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.624 0.77 . . . . 0.0 111.56 176.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.478 ' CD1' ' HE3' ' A' ' 40' ' ' LYS . 43.0 m-85 -131.98 129.33 40.01 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.181 1.393 . . . . 0.0 110.788 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.5 mp -141.68 128.04 19.5 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 C-N-CA 124.61 1.164 . . . . 0.0 110.311 -168.075 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -86.49 132.47 33.92 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 119.023 0.829 . . . . 0.0 112.656 170.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -111.72 154.17 25.38 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 126.109 1.764 . . . . 0.0 112.586 172.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -76.71 -21.23 55.63 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 114.364 1.246 . . . . 0.0 114.364 173.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -148.78 131.49 15.96 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 119.19 0.905 . . . . 0.0 113.379 -172.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.47 -55.65 5.34 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 113.665 0.987 . . . . 0.0 113.665 -172.444 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -68.01 -24.21 65.09 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 114.517 1.303 . . . . 0.0 114.517 -173.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -75.12 -46.33 35.13 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.435 0.694 . . . . 0.0 110.761 172.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.32 -23.9 66.44 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 114.255 1.206 . . . . 0.0 114.255 174.571 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.56 -28.46 65.54 Favored 'General case' 0 CA--C 1.546 0.8 0 O-C-N 121.278 -0.889 . . . . 0.0 113.297 176.301 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -70.2 -19.23 63.18 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 174.329 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -73.72 -56.16 5.34 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 119.171 0.896 . . . . 0.0 111.124 172.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -60.4 -39.52 81.29 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 O-C-N 121.483 -0.76 . . . . 0.0 112.655 -175.036 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.83 -9.2 26.68 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 114.71 1.374 . . . . 0.0 114.71 176.383 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.15 -23.08 16.92 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 125.738 1.615 . . . . 0.0 112.492 170.791 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -98.14 -16.56 19.47 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 125.616 1.567 . . . . 0.0 114.728 178.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 40.8 p-10 -67.76 -179.32 1.11 Allowed 'General case' 0 CA--C 1.551 0.994 0 N-CA-C 115.834 1.791 . . . . 0.0 115.834 -170.068 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 89.76 81.69 1.34 Allowed Glycine 0 CA--C 1.528 0.862 0 C-N-CA 125.667 1.603 . . . . 0.0 110.599 -171.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 22.3 p -68.52 123.18 20.13 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-O 121.646 0.736 . . . . 0.0 112.71 -172.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -100.45 140.88 34.08 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 126.691 1.996 . . . . 0.0 112.167 176.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 5.5 p90 -154.58 169.79 23.02 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 126.397 1.879 . . . . 0.0 111.197 -179.014 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 72.8 mt-10 60.55 18.86 8.72 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 126.173 1.789 . . . . 0.0 115.517 177.083 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 175.13 -77.18 0.08 OUTLIER Glycine 0 CA--C 1.528 0.873 0 C-N-CA 124.937 1.256 . . . . 0.0 110.883 175.635 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -67.45 156.45 36.58 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 122.874 0.469 . . . . 0.0 110.615 159.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 8.6 ptpt -147.47 89.77 1.81 Allowed 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.421 1.088 . . . . 0.0 112.364 -174.232 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.8 mp -149.09 114.77 5.63 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 126.439 1.895 . . . . 0.0 108.097 173.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 14.3 ttm180 -125.25 138.15 54.1 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.254 1.022 . . . . 0.0 110.556 175.401 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.2 t -143.92 132.21 18.6 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 124.812 1.245 . . . . 0.0 109.148 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -154.96 138.95 16.37 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 123.927 0.891 . . . . 0.0 110.211 177.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 37.6 t -124.54 117.14 26.48 Favored Pre-proline 0 CA--C 1.538 0.501 0 C-N-CA 123.371 0.668 . . . . 0.0 110.216 -175.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -68.63 -24.67 35.18 Favored 'Trans proline' 0 CA--C 1.542 0.912 0 C-N-CA 122.887 2.391 . . . . 0.0 113.728 -179.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 12.6 p90 -83.12 4.49 26.2 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 115.027 1.492 . . . . 0.0 115.027 178.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -73.19 45.17 0.16 Allowed 'General case' 0 CA--C 1.555 1.164 0 C-N-CA 126.402 1.881 . . . . 0.0 115.345 -167.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -154.03 -57.8 0.12 Allowed 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.555 1.542 . . . . 0.0 112.087 172.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 54.46 22.63 3.98 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 126.598 1.959 . . . . 0.0 114.257 -174.74 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 67.6 mt-10 . . . . . 0 C--O 1.252 1.228 0 C-N-CA 127.041 2.136 . . . . 0.0 112.28 -177.82 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 101' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.222 1 O4'-C1'-N19 113.15 4.95 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 102' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.65 0 O4'-C1'-N19 111.179 2.979 . 0.099 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 103' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.069 1 O4'-C1'-N19 115.738 7.538 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.376 1 O4'-C1'-N19 113.814 5.614 . 0.01 4g . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 105' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.271 0 O4'-C1'-N19 110.14 1.94 . 0.574 5d . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 106' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.144 0 O4'-C1'-N19 110.806 2.606 . 0.112 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.492 0 N-CA-C 111.987 -0.445 . . . . 0.0 111.987 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 36.7 t -152.36 109.97 3.61 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.57 1.148 . . . . 0.0 110.588 176.514 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 77.4 m80 -146.53 -56.5 0.27 Allowed 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.854 1.262 . . . . 0.0 112.69 -174.208 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.8 ptp -162.78 -178.85 6.41 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 126.455 1.902 . . . . 0.0 110.469 -172.504 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.6 p -144.41 120.66 4.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 CA-C-O 121.929 0.871 . . . . 0.0 111.261 164.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 9.5 tp -77.64 160.4 4.72 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.846 0 C-N-CA 125.422 1.489 . . . . 0.0 111.968 -179.393 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.41 157.27 37.41 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.843 1.257 . . . . 0.0 111.354 176.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.451 ' HG2' ' H ' ' A' ' 6' ' ' SER . 13.5 tt0 57.04 -160.82 0.22 Allowed 'General case' 0 CA--C 1.554 1.109 0 C-N-CA 124.978 1.311 . . . . 0.0 111.457 -170.779 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.451 ' H ' ' HG2' ' A' ' 5' ' ' GLU . 58.5 m -82.42 -71.9 0.47 Allowed 'General case' 0 N--CA 1.473 0.707 0 O-C-N 120.396 -1.44 . . . . 0.0 111.723 167.758 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . 0.279 2.5 m 54.49 140.95 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.486 1.333 0 C-N-CA 128.509 2.723 . . . . 0.0 115.09 -171.29 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.1 t -81.58 161.97 23.32 Favored 'General case' 0 N--CA 1.467 0.423 0 O-C-N 120.439 -1.413 . . . . 0.0 112.277 172.371 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.77 125.54 11.89 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 127.225 2.21 . . . . 0.0 108.76 -169.14 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -144.25 135.97 22.01 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 125.25 1.42 . . . . 0.0 110.337 171.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -128.74 136.01 49.98 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 126.265 1.826 . . . . 0.0 108.772 166.002 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.4 m -120.17 91.23 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 124.699 1.2 . . . . 0.0 109.946 179.324 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -76.4 138.35 22.39 Favored Glycine 0 CA--C 1.526 0.725 0 C-N-CA 125.309 1.433 . . . . 0.0 113.822 -176.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.5 m120 60.78 26.49 16.3 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.749 1.62 . . . . 0.0 113.799 173.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -58.38 142.74 81.44 Favored Pre-proline 0 CA--C 1.552 1.035 0 C-N-CA 124.41 1.084 . . . . 0.0 112.962 -174.204 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -69.16 111.09 2.59 Favored 'Trans proline' 0 CA--C 1.54 0.801 0 C-N-CA 123.196 2.598 . . . . 0.0 111.351 -178.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.7 t 61.86 130.4 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 127.448 2.299 . . . . 0.0 114.08 -167.53 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 25.7 p80 -69.59 143.81 53.21 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 120.888 -1.133 . . . . 0.0 111.494 178.03 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 13.4 p -106.55 142.91 18.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.825 0 C-N-CA 124.775 1.23 . . . . 0.0 112.705 -163.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.2 m -69.9 148.29 49.18 Favored 'General case' 0 N--CA 1.474 0.766 0 O-C-N 121.33 -0.856 . . . . 0.0 112.088 176.23 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 71.1 p -60.25 -39.71 87.72 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.811 0.844 . . . . 0.0 112.752 179.46 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -60.68 -39.29 87.89 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.23 1.012 . . . . 0.0 112.36 172.151 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -68.11 -44.36 76.34 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 118.541 0.61 . . . . 0.0 111.481 -177.249 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 18.8 m -68.67 -36.69 75.58 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 CA-C-N 119.004 0.82 . . . . 0.0 112.258 172.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 50.6 tt0 -61.55 -37.99 85.84 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 119.544 1.066 . . . . 0.0 112.394 174.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -79.54 -31.91 42.12 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 123.9 0.88 . . . . 0.0 112.971 177.23 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -86.06 -55.45 3.93 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.852 0.861 . . . . 0.0 113.29 -176.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -71.71 -22.84 61.58 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 -172.239 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 -57.81 -18.95 25.15 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 114.882 1.438 . . . . 0.0 114.882 178.688 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.03 -35.5 78.75 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.78 1.232 . . . . 0.0 111.486 175.443 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 49.7 m-85 -81.47 -30.48 33.37 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.041 0.936 . . . . 0.0 113.295 -178.029 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -175.22 160.36 29.05 Favored Glycine 0 CA--C 1.534 1.25 0 C-N-CA 124.65 1.119 . . . . 0.0 113.02 176.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -67.63 112.7 4.91 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 121.673 -0.898 . . . . 0.0 111.348 -179.331 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -75.17 131.41 35.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 126.198 1.799 . . . . 0.0 113.051 -176.203 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -97.88 -40.97 8.24 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.595 1.158 . . . . 0.0 112.276 171.09 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.426 ' HE2' ' C6 ' ' B' ' 104' ' ' ' U' . 0.0 OUTLIER -149.36 147.72 28.64 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.933 1.293 . . . . 0.0 111.502 -178.056 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 26.4 p -149.15 147.65 28.71 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.194 1.398 . . . . 0.0 110.627 173.542 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -165.34 159.23 16.96 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.909 0.884 . . . . 0.0 112.631 172.228 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 77.7 t -98.49 136.27 30.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 124.345 1.058 . . . . 0.0 110.477 167.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.413 ' HA ' ' HE2' ' A' ' 40' ' ' LYS . 11.4 mmpt? -115.86 162.18 17.71 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 127.222 2.209 . . . . 0.0 110.384 174.312 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -145.04 157.81 44.01 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.97 1.708 . . . . 0.0 110.911 -169.046 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.0 t -133.34 155.99 48.44 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.448 1.099 . . . . 0.0 112.216 177.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 83.8 t -60.43 -25.28 33.8 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 125.53 1.532 . . . . 0.0 111.742 173.063 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.1 t -66.98 -12.15 58.92 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 124.743 1.217 . . . . 0.0 113.843 171.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 94.11 -6.24 72.33 Favored Glycine 0 CA--C 1.535 1.308 0 C-N-CA 125.951 1.739 . . . . 0.0 115.752 174.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.8 159.02 35.05 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 118.658 1.229 . . . . 0.0 113.005 174.254 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -131.65 149.91 52.33 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 125.861 1.664 . . . . 0.0 111.112 177.478 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -153.76 131.22 11.33 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.417 0.687 . . . . 0.0 111.664 -176.503 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -92.67 146.21 23.83 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.906 -0.496 . . . . 0.0 111.712 169.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -128.28 132.01 48.7 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 126.834 2.054 . . . . 0.0 109.316 177.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.7 mp -138.92 144.59 29.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 124.645 1.178 . . . . 0.0 110.729 -179.538 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -122.71 128.48 50.61 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.954 1.702 . . . . 0.0 111.683 177.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -111.84 159.32 18.44 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.228 1.011 . . . . 0.0 112.947 172.584 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 48.6 tt0 -64.94 -42.25 94.82 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 114.423 1.268 . . . . 0.0 114.423 -177.255 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 -114.78 126.27 54.64 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.039 1.335 . . . . 0.0 112.213 -177.32 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.48 -53.2 17.23 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.505 0.722 . . . . 0.0 112.628 179.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.47 -20.71 64.63 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 114.943 1.461 . . . . 0.0 114.943 -172.727 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -70.34 -44.61 67.85 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.54 0.736 . . . . 0.0 111.065 172.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -90.53 -7.6 52.49 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 114.885 1.439 . . . . 0.0 114.885 -178.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.17 -27.53 63.92 Favored 'General case' 0 CA--C 1.545 0.774 0 O-C-N 120.771 -1.206 . . . . 0.0 112.723 175.008 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -64.48 -20.65 66.32 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 114.193 1.182 . . . . 0.0 114.193 171.426 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -74.52 -53.43 9.48 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.578 0.751 . . . . 0.0 110.824 167.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 8.4 mm -52.48 -44.89 45.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 124.326 1.05 . . . . 0.0 111.421 -178.433 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.39 3.56 2.89 Favored 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 115.797 1.777 . . . . 0.0 115.797 178.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -130.78 -13.76 3.65 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 115.226 1.565 . . . . 0.0 115.226 163.437 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.3 mmpt? -75.84 -25.27 56.09 Favored 'General case' 0 N--CA 1.482 1.125 0 CA-C-N 120.084 1.311 . . . . 0.0 111.963 166.263 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 50.3 p-10 -65.17 179.3 0.74 Allowed 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 125.457 1.503 . . . . 0.0 113.826 176.072 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 80.31 54.02 3.93 Favored Glycine 0 CA--C 1.532 1.143 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -166.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 25.0 p -58.17 151.13 19.75 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.064 1.346 . . . . 0.0 112.84 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -147.75 150.55 34.48 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.071 0.948 . . . . 0.0 112.556 -176.569 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -153.01 179.54 8.6 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.159 1.383 . . . . 0.0 111.801 -166.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 60.01 16.58 5.96 Favored 'General case' 0 N--CA 1.483 1.185 0 N-CA-C 115.44 1.644 . . . . 0.0 115.44 176.27 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 177.11 -58.74 0.1 OUTLIER Glycine 0 CA--C 1.529 0.91 0 C-N-CA 125.277 1.417 . . . . 0.0 111.064 178.339 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -78.99 159.26 27.73 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.846 0.858 . . . . 0.0 110.613 160.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.1 80.97 1.89 Allowed 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 125.692 1.597 . . . . 0.0 110.417 -175.162 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.2 mt -153.29 101.42 2.53 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.099 1.359 . . . . 0.0 110.287 177.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 13.6 ttm180 -108.69 136.65 47.91 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.657 1.183 . . . . 0.0 110.528 170.605 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 90.1 t -138.8 132.31 39.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 124.522 1.129 . . . . 0.0 110.334 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -159.51 156.9 29.0 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 126.116 1.766 . . . . 0.0 109.646 -179.123 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 25.5 m -79.29 116.76 62.82 Favored Pre-proline 0 N--CA 1.476 0.854 0 C-N-CA 123.774 0.83 . . . . 0.0 110.882 173.238 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -78.83 -44.87 0.13 Allowed 'Trans proline' 0 C--N 1.352 0.741 0 C-N-CA 122.502 2.135 . . . . 0.0 114.013 -173.089 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -82.81 -29.93 29.16 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 113.191 0.811 . . . . 0.0 113.191 -174.006 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 66.2 t30 59.2 132.64 0.01 OUTLIER 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 128.753 2.821 . . . . 0.0 115.67 -172.131 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -159.12 -100.05 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.956 1.303 . . . . 0.0 111.723 178.253 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 17.0 mmp_? -71.68 153.31 42.14 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.935 1.294 . . . . 0.0 111.902 173.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 . . . . . 0 C--O 1.254 1.297 0 C-N-CA 127.09 2.156 . . . . 0.0 113.263 -177.571 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 101' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.176 1 O4'-C1'-N19 113.634 5.434 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 102' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.846 1 O4'-C1'-N19 113.979 5.779 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 103' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.718 0 O4'-C1'-N19 111.379 3.179 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 104' ' ' ' U' . . . . . 0.426 ' C6 ' ' HE2' ' A' ' 36' ' ' LYS . . . . . . . . 0 O4'--C4' 1.424 -2.451 4 O4'-C1'-N19 115.051 6.851 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 105' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.224 0 C4'-C3'-C2' 100.231 -2.469 . 0.318 5d . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 106' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.073 0 C5'-C4'-C3' 111.43 -2.713 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.568 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 20.3 m -68.7 -58.27 4.48 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.915 0.886 . . . . 0.0 113.182 -172.626 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 31.5 m80 -141.23 9.85 2.1 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.937 1.295 . . . . 0.0 114.225 -173.268 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mpt? 60.77 159.41 0.04 OUTLIER 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 127.806 2.442 . . . . 0.0 115.077 -172.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 9.6 p -123.36 -18.38 4.26 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 C-N-CA 125.266 1.426 . . . . 0.0 113.689 -174.354 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.8 mp -75.47 126.9 36.76 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 124.307 1.043 . . . . 0.0 110.219 178.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -98.45 -6.82 29.7 Favored 'General case' 0 N--CA 1.481 1.107 0 N-CA-C 114.987 1.477 . . . . 0.0 114.987 -176.261 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -120.22 104.25 9.91 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.752 1.221 . . . . 0.0 111.376 -175.023 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.1 t -164.82 176.13 9.01 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 126.61 1.964 . . . . 0.0 110.492 177.438 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 25.1 m -128.03 132.6 68.44 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 125.153 1.381 . . . . 0.0 110.515 170.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 35.5 t -85.64 164.62 17.59 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 124.272 1.029 . . . . 0.0 111.422 176.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -145.38 165.04 29.65 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.704 1.202 . . . . 0.0 112.751 -179.165 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.3 mp -120.74 127.21 75.91 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 C-N-CA 123.805 0.842 . . . . 0.0 108.925 156.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -89.61 127.65 35.93 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.301 0.64 . . . . 0.0 109.574 160.439 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.9 p -137.35 126.27 34.83 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 C-N-CA 123.278 0.631 . . . . 0.0 110.489 167.147 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -128.25 170.48 19.61 Favored Glycine 0 CA--C 1.525 0.717 0 C-N-CA 125.907 1.718 . . . . 0.0 113.089 -175.153 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 26.0 m120 51.31 32.19 8.02 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 124.515 1.126 . . . . 0.0 112.532 -175.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.3 pp -66.44 154.54 90.59 Favored Pre-proline 0 CA--C 1.548 0.899 0 C-N-CA 125.33 1.452 . . . . 0.0 113.741 -165.368 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -74.83 139.2 24.47 Favored 'Trans proline' 0 CA--C 1.537 0.631 0 C-N-CA 123.009 2.472 . . . . 0.0 111.959 -176.03 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 49.9 m 48.69 -113.78 0.6 Allowed 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 125.284 1.434 . . . . 0.0 111.661 -178.244 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 59.2 t60 -149.69 115.48 5.62 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.442 1.097 . . . . 0.0 109.7 164.096 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 27.1 m -79.98 138.17 20.33 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 123.397 0.679 . . . . 0.0 112.423 -174.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.4 m -79.95 133.96 36.23 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.91 0.884 . . . . 0.0 110.754 169.696 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 79.4 p -57.15 -34.52 68.5 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 113.755 1.02 . . . . 0.0 113.755 -173.216 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.26 -33.88 76.24 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.621 1.168 . . . . 0.0 113.048 179.006 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -75.16 -39.49 60.3 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.598 0.759 . . . . 0.0 111.626 -176.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -73.49 -33.47 39.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 O-C-N 121.868 -0.52 . . . . 0.0 111.199 175.041 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -56.24 -44.9 80.1 Favored 'General case' 0 CA--C 1.54 0.586 0 O-C-N 121.185 -0.947 . . . . 0.0 111.533 167.543 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -64.2 -30.26 71.33 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 112.875 0.694 . . . . 0.0 112.875 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -70.45 -49.44 48.61 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.228 1.011 . . . . 0.0 111.668 170.055 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -73.59 -34.72 65.23 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 114.875 1.435 . . . . 0.0 114.875 -173.621 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.0 ptp180 -58.05 -20.12 36.8 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 115.943 1.831 . . . . 0.0 115.943 -167.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.23 -30.73 68.94 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-N 119.211 0.914 . . . . 0.0 112.967 176.853 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -77.64 -19.85 54.78 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.69 1.196 . . . . 0.0 113.329 178.23 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 161.4 159.27 9.94 Favored Glycine 0 CA--C 1.532 1.112 0 C-N-CA 126.131 1.824 . . . . 0.0 110.551 -178.665 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -64.85 139.27 58.74 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 117.939 0.869 . . . . 0.0 111.393 179.384 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -98.13 132.96 42.01 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 C-N-CA 125.416 1.486 . . . . 0.0 109.215 171.582 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -84.04 -44.93 13.61 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 124.792 1.237 . . . . 0.0 111.266 -179.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.75 162.71 40.47 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.222 1.409 . . . . 0.0 112.722 174.5 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 42.0 t -139.68 149.83 44.16 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.814 1.646 . . . . 0.0 110.473 178.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -156.15 161.67 40.31 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.157 1.383 . . . . 0.0 111.732 175.123 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.4 p -143.01 136.75 26.24 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 124.874 1.27 . . . . 0.0 111.947 178.259 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.4 160.36 26.99 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 127.243 2.217 . . . . 0.0 110.601 -174.557 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.07 154.19 42.96 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.974 1.31 . . . . 0.0 112.664 176.362 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 31.0 p -109.94 163.48 13.51 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.047 1.339 . . . . 0.0 111.976 179.171 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 34.6 m -65.72 -16.28 20.16 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.165 0 N-CA-C 113.457 0.91 . . . . 0.0 113.457 174.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.7 t -72.84 -15.49 61.62 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.836 1.254 . . . . 0.0 112.932 170.112 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 91.81 1.69 70.36 Favored Glycine 0 CA--C 1.537 1.429 0 C-N-CA 125.545 1.545 . . . . 0.0 114.642 -178.547 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.06 154.53 39.17 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 118.492 1.146 . . . . 0.0 111.399 170.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -139.99 149.95 43.87 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.462 1.105 . . . . 0.0 112.487 -179.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -145.93 127.38 15.01 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 125.59 1.556 . . . . 0.0 110.37 -168.02 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -109.54 143.38 39.29 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-O 121.87 0.843 . . . . 0.0 111.984 176.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -126.69 119.45 27.0 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 126.187 1.795 . . . . 0.0 108.048 -177.039 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.9 mp -133.45 135.59 55.8 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 C-N-CA 124.362 1.065 . . . . 0.0 108.904 -169.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -109.79 112.48 24.56 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.441 1.097 . . . . 0.0 112.454 -173.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -89.36 155.15 19.53 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 126.4 1.88 . . . . 0.0 112.693 176.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 54.0 tt0 -73.79 -43.33 59.23 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 114.013 1.116 . . . . 0.0 114.013 173.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -131.4 109.94 10.69 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.701 1.2 . . . . 0.0 113.211 -169.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.27 -35.16 80.16 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 178.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 47.6 ttt85 -68.36 -42.16 79.59 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.351 1.06 . . . . 0.0 112.527 179.129 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -75.77 -42.33 50.63 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.251 0.62 . . . . 0.0 111.552 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -76.21 -0.67 23.05 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 115.088 1.514 . . . . 0.0 115.088 176.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.54 -31.63 66.27 Favored 'General case' 0 CA--C 1.543 0.674 0 O-C-N 121.14 -0.975 . . . . 0.0 112.605 178.164 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -62.67 -39.13 92.98 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 113.03 0.752 . . . . 0.0 113.03 174.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.96 -46.91 76.38 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 119.036 0.835 . . . . 0.0 111.207 173.517 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 20.1 mm -59.3 -44.01 91.27 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.593 0 C-N-CA 123.78 0.832 . . . . 0.0 111.262 179.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.13 -29.77 34.71 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 114.642 1.349 . . . . 0.0 114.642 -178.42 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.85 -34.58 51.7 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 120.559 1.527 . . . . 0.0 112.542 177.268 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -78.98 2.3 20.86 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 125.009 1.324 . . . . 0.0 113.861 174.521 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -68.36 176.83 2.61 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 114.75 1.389 . . . . 0.0 114.75 -173.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 77.52 76.4 0.88 Allowed Glycine 0 CA--C 1.53 1.028 0 C-N-CA 124.25 0.929 . . . . 0.0 112.064 179.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 26.1 p -60.11 148.66 35.14 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 123.797 0.839 . . . . 0.0 112.646 178.239 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -145.2 155.06 43.04 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.116 1.366 . . . . 0.0 111.572 -174.36 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -157.81 179.86 8.8 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.117 1.367 . . . . 0.0 111.442 -169.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 59.73 20.66 9.4 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 125.737 1.615 . . . . 0.0 115.063 178.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 166.99 -29.92 0.18 Allowed Glycine 0 CA--C 1.534 1.272 0 C-N-CA 124.704 1.145 . . . . 0.0 114.146 179.693 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -113.7 140.92 47.85 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.306 1.443 . . . . 0.0 111.137 174.639 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.75 60.01 0.74 Allowed 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 126.501 1.921 . . . . 0.0 111.188 -174.339 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 10.9 mt -146.1 104.39 3.82 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.581 1.153 . . . . 0.0 111.967 -177.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 55.5 ttm-85 -120.84 124.36 44.85 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.815 1.246 . . . . 0.0 109.802 165.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 92.3 t -137.77 142.25 36.77 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 125.918 1.687 . . . . 0.0 109.283 178.188 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.3 179.11 8.18 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 124.045 0.938 . . . . 0.0 112.06 -174.653 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -49.65 153.15 2.13 Favored Pre-proline 0 N--CA 1.481 1.111 0 C-N-CA 126.883 2.073 . . . . 0.0 113.834 -179.55 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -66.55 46.23 0.23 Allowed 'Trans proline' 0 CA--C 1.554 1.525 1 C-N-CA 126.421 4.747 . . . . 0.0 115.569 179.015 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 54.38 22.73 3.95 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 126.988 2.115 . . . . 0.0 114.633 -178.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 15.2 m120 59.75 104.07 0.02 OUTLIER 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 127.311 2.244 . . . . 0.0 112.834 -168.222 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -139.7 173.09 11.89 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.539 1.535 . . . . 0.0 112.449 -173.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 48.7 ttt-85 60.27 30.83 20.17 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 126.048 1.739 . . . . 0.0 113.681 -178.293 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 62.9 tt0 . . . . . 0 C--O 1.252 1.224 0 C-N-CA 127.209 2.204 . . . . 0.0 111.883 178.395 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 101' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.456 0 O4'-C1'-N19 111.895 3.695 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 102' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.068 1 O4'-C1'-N19 114.494 6.294 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 103' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.781 2 O4'-C1'-N19 113.236 5.036 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.107 1 O4'-C1'-N19 114.64 6.44 . 0.104 4n . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 105' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.29 0 O4'-C1'-N19 111.852 3.652 . 0.471 5p . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 106' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.724 0 P-O3'-C3' 123.463 3.135 . 0.518 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.534 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 19.3 m -67.27 167.58 12.07 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 125.123 1.369 . . . . 0.0 113.489 176.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 0' ' ' HIS . . . . . 0.447 ' CG ' ' H ' ' A' ' 1' ' ' MET . 53.5 t60 65.36 176.25 0.21 Allowed 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 127.049 2.14 . . . . 0.0 114.369 179.676 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.447 ' H ' ' CG ' ' A' ' 0' ' ' HIS . 27.5 ttt -63.21 97.05 0.11 Allowed 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.877 1.671 . . . . 0.0 111.838 -178.281 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 8.0 p -78.84 -28.78 14.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 C-N-CA 124.893 1.277 . . . . 0.0 113.926 -171.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 15.3 mt 56.92 80.04 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 126.848 2.059 . . . . 0.0 111.856 -177.414 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 59.36 -172.61 0.11 Allowed 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 126.142 1.777 . . . . 0.0 112.893 -174.179 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 58.29 -178.78 0.07 Allowed 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 125.873 1.669 . . . . 0.0 113.871 -172.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.0 t 60.94 179.87 0.11 Allowed 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.857 1.663 . . . . 0.0 113.619 -167.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 6.9 t -137.86 125.13 29.13 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 125.149 1.379 . . . . 0.0 109.754 179.199 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.1 t -70.21 150.7 46.17 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.812 0.845 . . . . 0.0 112.328 -179.607 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.1 mtt180 -143.57 162.36 36.1 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.673 1.189 . . . . 0.0 111.284 176.38 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 31.6 mm -104.4 141.94 18.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 C-N-CA 125.741 1.616 . . . . 0.0 109.062 165.637 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -114.94 132.05 56.69 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.204 1.001 . . . . 0.0 110.28 161.542 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.2 p -124.08 137.69 56.23 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 C-N-CA 125.613 1.565 . . . . 0.0 109.22 169.088 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -138.28 172.45 22.96 Favored Glycine 0 CA--C 1.523 0.593 0 C-N-CA 126.086 1.803 . . . . 0.0 111.989 -178.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 55.7 m-20 48.36 35.41 5.68 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 123.736 0.814 . . . . 0.0 111.299 -170.02 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.6 pp -68.39 150.8 97.57 Favored Pre-proline 0 CA--C 1.547 0.853 0 O-C-N 121.308 -0.87 . . . . 0.0 112.897 -165.133 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -63.69 125.16 14.93 Favored 'Trans proline' 0 CA--C 1.537 0.645 0 C-N-CA 123.147 2.565 . . . . 0.0 111.586 -177.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.3 m 49.66 -104.1 0.13 Allowed 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 126.049 1.74 . . . . 0.0 112.586 -175.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 34.6 p-80 -153.84 118.37 4.91 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.88 1.672 . . . . 0.0 109.408 173.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 34.6 m -85.5 148.33 4.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 123.688 0.795 . . . . 0.0 111.623 176.081 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 73.4 m -90.03 138.67 31.31 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.435 0.694 . . . . 0.0 109.798 161.369 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 63.9 p -55.45 -36.37 66.48 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.248 1.019 . . . . 0.0 113.197 -179.01 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.404 ' H ' ' HD3' ' A' ' 22' ' ' ARG . 0.4 OUTLIER -66.23 -33.12 75.03 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.54 1.536 . . . . 0.0 113.193 176.55 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -73.02 -42.32 63.32 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.247 0.619 . . . . 0.0 111.716 -179.427 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -73.84 -31.71 32.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 O-C-N 121.931 -0.48 . . . . 0.0 111.661 177.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -55.78 -41.21 73.73 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.825 0.85 . . . . 0.0 111.797 168.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -63.08 -23.0 67.24 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 123.739 0.816 . . . . 0.0 112.877 177.44 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 50.1 tt0 -89.64 -49.84 6.42 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.356 1.062 . . . . 0.0 112.379 173.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -67.6 -27.98 67.36 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 114.204 1.187 . . . . 0.0 114.204 -175.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -53.61 -24.4 13.9 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 115.507 1.669 . . . . 0.0 115.507 -176.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.83 -27.44 65.84 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 119.126 0.875 . . . . 0.0 113.276 178.535 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -82.51 -3.37 55.77 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 124.957 1.303 . . . . 0.0 113.631 176.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 141.53 163.31 9.52 Favored Glycine 0 CA--C 1.531 1.09 0 C-N-CA 125.409 1.48 . . . . 0.0 112.439 -177.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -66.11 138.38 57.7 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.675 -0.897 . . . . 0.0 111.601 178.313 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -100.63 132.36 46.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 C-N-CA 126.119 1.768 . . . . 0.0 110.238 176.2 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -93.58 -34.89 13.15 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.267 1.027 . . . . 0.0 112.625 -176.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -156.42 151.96 26.91 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 126.455 1.902 . . . . 0.0 110.565 177.624 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 24.7 p -148.13 155.29 41.25 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.095 0.958 . . . . 0.0 111.001 169.265 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -159.39 166.95 29.97 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.078 0.951 . . . . 0.0 112.637 -179.076 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 19.3 m -130.45 149.14 33.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 C-N-CA 125.338 1.455 . . . . 0.0 112.255 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 53.0 mmtt -143.3 170.56 15.54 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 126.742 2.017 . . . . 0.0 111.357 -175.225 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.73 157.26 43.05 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.926 1.291 . . . . 0.0 113.223 174.618 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.3 t -105.11 154.61 19.93 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 125.281 1.432 . . . . 0.0 111.576 172.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 34.8 m -62.05 -17.06 17.01 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 124.67 1.188 . . . . 0.0 113.169 170.578 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 18.3 t -68.95 -14.2 62.9 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 124.604 1.162 . . . . 0.0 113.338 169.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 100.63 -11.22 59.46 Favored Glycine 0 CA--C 1.536 1.382 0 C-N-CA 126.099 1.809 . . . . 0.0 115.377 174.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.52 157.83 36.85 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 118.689 1.245 . . . . 0.0 112.545 171.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -125.98 157.66 37.26 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.245 1.418 . . . . 0.0 112.204 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -138.14 153.38 49.23 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 125.878 1.671 . . . . 0.0 111.545 -172.104 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -144.11 151.07 39.09 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.271 1.028 . . . . 0.0 111.923 171.302 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.424 ' CZ ' " H1'" ' B' ' 103' ' ' ' A' . 55.2 m-85 -136.32 130.11 32.42 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 125.409 1.484 . . . . 0.0 109.803 -170.352 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.3 mp -139.16 112.1 6.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 123.984 0.914 . . . . 0.0 110.311 -167.597 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -78.48 153.38 31.44 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.206 1.402 . . . . 0.0 112.974 -177.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -139.39 145.07 38.49 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.007 1.323 . . . . 0.0 113.289 -179.106 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -70.29 -21.79 62.92 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 115.083 1.512 . . . . 0.0 115.083 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -149.95 142.46 24.41 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.328 1.451 . . . . 0.0 111.86 172.224 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.21 -46.24 51.58 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 114.352 1.241 . . . . 0.0 114.352 -172.264 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -73.03 -27.77 61.95 Favored 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 -169.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -74.6 -40.65 61.45 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 123.072 0.549 . . . . 0.0 111.034 173.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.58 -26.56 67.17 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.28 1.032 . . . . 0.0 113.694 173.087 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.96 -26.77 68.4 Favored 'General case' 0 CA--C 1.544 0.724 0 O-C-N 121.106 -0.996 . . . . 0.0 113.524 178.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -65.13 -27.67 68.9 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.112 -0.992 . . . . 0.0 112.978 172.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -73.96 -50.16 21.28 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 118.597 0.635 . . . . 0.0 111.096 168.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -61.48 -35.9 69.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 O-C-N 121.424 -0.797 . . . . 0.0 112.074 -174.591 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.63 -26.54 50.63 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 114.495 1.295 . . . . 0.0 114.495 178.626 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -85.62 -32.18 22.19 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 119.82 1.191 . . . . 0.0 112.071 176.017 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 11.3 mmpt? -76.09 4.47 8.42 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 126.198 1.799 . . . . 0.0 114.251 170.624 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -67.76 173.01 4.66 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 114.913 1.449 . . . . 0.0 114.913 -173.557 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 81.2 87.59 0.63 Allowed Glycine 0 CA--C 1.533 1.212 0 C-N-CA 125.063 1.316 . . . . 0.0 112.998 177.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 29.9 p -68.3 157.78 34.85 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.673 0.789 . . . . 0.0 112.726 174.416 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -146.75 151.24 36.85 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.255 1.422 . . . . 0.0 112.062 -170.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.9 p90 -164.85 169.3 16.78 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.602 1.561 . . . . 0.0 111.765 -166.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 58.64 29.36 18.43 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 125.568 1.547 . . . . 0.0 114.968 175.288 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 163.25 -22.69 0.18 Allowed Glycine 0 CA--C 1.537 1.447 0 C-N-CA 124.731 1.157 . . . . 0.0 114.371 177.26 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 29.3 t30 -141.13 146.05 36.54 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.871 1.668 . . . . 0.0 110.316 174.709 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -107.21 108.17 19.46 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 126.012 1.725 . . . . 0.0 110.178 -178.825 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.2 mt -169.13 140.48 2.42 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 126.119 1.768 . . . . 0.0 110.785 163.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 13.3 ttm180 -152.11 137.86 17.94 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.832 1.653 . . . . 0.0 110.34 175.239 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 43.7 t -141.2 131.14 25.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 124.183 0.993 . . . . 0.0 109.274 175.594 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -154.87 156.6 36.46 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.781 1.232 . . . . 0.0 110.912 -174.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 7.3 p -128.1 87.97 54.1 Favored Pre-proline 0 CA--C 1.544 0.722 0 C-N-CA 124.727 1.211 . . . . 0.0 110.561 -179.275 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -68.6 -40.95 6.77 Favored 'Trans proline' 0 CA--C 1.542 0.911 0 C-N-CA 122.136 1.891 . . . . 0.0 111.758 174.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -77.67 51.72 0.94 Allowed 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 127.676 2.39 . . . . 0.0 112.326 173.074 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -77.29 67.52 3.25 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.28 1.432 . . . . 0.0 112.49 -178.444 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.29 150.11 44.01 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 124.253 1.021 . . . . 0.0 112.932 179.588 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 32.8 mtt180 57.75 31.25 20.18 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 126.453 1.901 . . . . 0.0 115.024 174.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 . . . . . 0 C--O 1.252 1.198 0 C-N-CA 124.646 1.178 . . . . 0.0 114.125 175.508 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 101' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.102 0 C3'-C2'-C1' 99.417 -2.315 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 102' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.35 0 C4'-C3'-C2' 99.038 -3.662 . 0.037 7r . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 103' ' ' ' A' . . . . . 0.424 " H1'" ' CZ ' ' A' ' 50' ' ' PHE . . . . . . . . 0 O4'--C4' 1.419 -2.827 1 O4'-C1'-N19 114.209 6.009 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.151 3 C4'-C3'-C2' 97.196 -5.504 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 105' ' ' ' C' . . . . . 0.466 " H3'" H5'' ' B' ' 106' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.854 4 P-O3'-C3' 126.765 5.888 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 106' ' ' ' A' . . . . . 0.466 H5'' " H3'" ' B' ' 105' ' ' ' C' . . . . . . . . 0 P--O5' 1.625 3.239 0 C5'-C4'-O4' 114.065 3.475 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.733 0 N-CA-C 111.377 -0.689 . . . . 0.0 111.377 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 16.6 m 63.96 154.09 0.05 Allowed 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 126.906 2.083 . . . . 0.0 114.97 -172.102 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -150.12 79.46 1.36 Allowed 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.635 1.174 . . . . 0.0 111.588 -178.62 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.4 ptt? -158.06 161.55 38.03 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.59 1.556 . . . . 0.0 111.161 176.596 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.9 p -142.43 119.62 6.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 124.518 1.127 . . . . 0.0 110.707 173.375 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 20.8 pt -151.38 158.59 4.62 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 127.459 2.304 . . . . 0.0 109.832 -173.08 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 90.0 mtm-85 -78.86 32.26 0.2 Allowed 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 125.347 1.459 . . . . 0.0 114.062 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -158.63 -175.52 5.36 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 126.967 2.107 . . . . 0.0 110.545 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.5 t -145.57 143.95 30.21 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.138 0.975 . . . . 0.0 110.856 171.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 61.4 t -107.56 115.92 49.89 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 124.805 1.242 . . . . 0.0 110.689 -175.029 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.3 p -72.87 139.67 47.05 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.935 1.294 . . . . 0.0 111.04 170.086 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.5 ptt180 -150.86 126.66 10.31 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.606 1.162 . . . . 0.0 111.547 178.313 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 77.1 mt -77.4 146.39 8.57 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 C-N-CA 125.444 1.498 . . . . 0.0 109.512 -177.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -131.16 137.5 49.03 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.058 1.343 . . . . 0.0 111.741 177.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 33.3 m -132.91 138.4 51.85 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 124.549 1.139 . . . . 0.0 109.467 164.27 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -132.47 168.84 22.53 Favored Glycine 0 CA--C 1.526 0.749 0 C-N-CA 124.881 1.229 . . . . 0.0 113.793 -169.561 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 14.9 m120 52.3 30.21 7.69 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 123.912 0.885 . . . . 0.0 111.884 -170.773 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.7 tp -77.68 120.42 81.31 Favored Pre-proline 0 CA--C 1.547 0.858 0 C-N-CA 125.433 1.493 . . . . 0.0 111.066 -165.582 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -71.37 163.8 37.85 Favored 'Trans proline' 0 CA--C 1.54 0.789 0 C-N-CA 122.863 2.375 . . . . 0.0 111.564 172.266 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 51.1 m -61.45 109.0 1.04 Allowed 'General case' 0 N--CA 1.473 0.717 0 O-C-N 121.516 -0.74 . . . . 0.0 110.598 174.08 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 10.8 t-160 -151.14 -69.15 0.18 Allowed 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 124.906 1.283 . . . . 0.0 110.802 -168.729 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.6 m -103.89 115.89 46.66 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 C-N-CA 125.303 1.441 . . . . 0.0 110.494 177.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 89.6 p -74.38 165.07 25.82 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.06 0.944 . . . . 0.0 110.649 167.368 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 41.7 t -50.86 -40.03 55.26 Favored 'General case' 0 N--CA 1.48 1.026 0 O-C-N 120.914 -1.116 . . . . 0.0 113.993 -175.559 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -68.9 -36.48 78.09 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 124.354 1.062 . . . . 0.0 112.483 177.471 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -76.29 -35.81 58.68 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.103 0.961 . . . . 0.0 112.089 176.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 77.5 t -59.46 -48.09 88.45 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 124.223 1.009 . . . . 0.0 109.812 169.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 56.6 tt0 -57.82 -52.25 66.24 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 121.766 -0.584 . . . . 0.0 111.587 175.686 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -63.15 -34.35 77.44 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 113.127 0.788 . . . . 0.0 113.127 -178.483 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.1 tp10 -68.76 -52.5 29.83 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.322 1.049 . . . . 0.0 111.816 173.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -72.04 -19.02 61.9 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 114.575 1.324 . . . . 0.0 114.575 -174.434 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 66.3 mtp180 -56.17 -25.17 45.57 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-N 120.316 1.416 . . . . 0.0 114.443 174.401 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.96 -25.14 52.47 Favored 'General case' 0 N--CA 1.486 1.338 0 CA-C-N 119.824 1.193 . . . . 0.0 113.472 173.189 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -76.53 -38.57 54.88 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.278 1.431 . . . . 0.0 110.425 176.536 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 167.15 -175.66 42.25 Favored Glycine 0 CA--C 1.535 1.299 0 C-N-CA 124.861 1.22 . . . . 0.0 113.167 178.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -75.22 115.56 15.0 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 121.878 -0.778 . . . . 0.0 111.94 -179.458 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -84.31 137.41 20.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 126.761 2.025 . . . . 0.0 111.234 172.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -105.08 -37.87 6.78 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.101 1.36 . . . . 0.0 113.11 175.513 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -149.7 142.19 24.37 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 126.762 2.025 . . . . 0.0 109.464 -178.319 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 42.2 t -146.68 118.41 8.08 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.301 1.04 . . . . 0.0 110.038 -174.658 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -150.67 155.33 39.12 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.629 1.172 . . . . 0.0 112.292 -176.346 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 18.3 t -124.7 132.67 71.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 125.319 1.447 . . . . 0.0 109.955 -177.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.485 ' HE3' ' CD1' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -122.81 166.38 15.08 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.972 1.709 . . . . 0.0 110.827 -178.48 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.04 152.95 42.45 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 124.468 1.107 . . . . 0.0 113.451 179.261 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.7 t -98.59 159.57 14.86 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 124.905 1.282 . . . . 0.0 111.767 174.648 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.8 p -59.3 -24.13 26.94 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 125.246 1.419 . . . . 0.0 112.882 172.543 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 12.9 t -69.61 -11.79 61.12 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 124.635 1.174 . . . . 0.0 113.709 172.433 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 97.15 -9.57 65.38 Favored Glycine 0 CA--C 1.536 1.361 0 C-N-CA 125.909 1.719 . . . . 0.0 115.626 174.279 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.38 154.15 41.79 Favored 'General case' 0 CA--C 1.545 0.753 0 CA-C-N 118.809 1.305 . . . . 0.0 112.246 171.591 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -129.49 159.84 35.03 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.794 1.238 . . . . 0.0 112.71 179.46 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -146.92 125.02 12.09 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 125.092 1.357 . . . . 0.0 110.253 -167.452 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -103.76 137.32 41.94 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.645 0.778 . . . . 0.0 111.014 175.016 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.485 ' CD1' ' HE3' ' A' ' 40' ' ' LYS . 76.1 m-85 -129.23 133.81 47.69 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 124.728 1.211 . . . . 0.0 110.331 179.62 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.7 mp -132.97 106.77 10.75 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 C-N-CA 124.265 1.026 . . . . 0.0 109.874 -170.049 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -75.13 132.66 41.37 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.86 1.264 . . . . 0.0 111.761 -177.467 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -135.05 138.76 44.21 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 114.097 1.147 . . . . 0.0 114.097 -158.581 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 30.0 tp10 -76.56 -37.51 56.45 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 113.494 0.924 . . . . 0.0 113.494 -177.132 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -132.69 114.0 13.66 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.349 1.459 . . . . 0.0 112.524 -172.383 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.69 -47.32 60.46 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.054 0.941 . . . . 0.0 113.399 178.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 50.4 mtt-85 -66.3 -38.0 86.71 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.687 0.795 . . . . 0.0 113.046 -174.222 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 41.4 t0 -67.77 -42.13 82.18 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.381 0.672 . . . . 0.0 111.335 175.426 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.98 -37.68 81.79 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 113.407 0.892 . . . . 0.0 113.407 177.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.21 -40.46 77.5 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 113.701 1.0 . . . . 0.0 113.701 -172.493 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -68.2 -27.84 66.74 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 113.791 1.034 . . . . 0.0 113.791 176.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -84.31 -28.77 26.88 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.065 0.946 . . . . 0.0 112.709 172.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -76.42 -38.21 31.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 O-C-N 121.047 -1.033 . . . . 0.0 111.813 176.759 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.75 -23.15 63.34 Favored 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 114.148 1.166 . . . . 0.0 114.148 -175.672 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -72.53 -11.76 60.79 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 170.092 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 11.8 mmpt? -96.87 6.88 47.83 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 125.831 1.653 . . . . 0.0 113.376 172.061 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 18.5 p-10 -68.73 172.37 6.48 Favored 'General case' 0 CA--C 1.551 0.997 0 N-CA-C 114.817 1.414 . . . . 0.0 114.817 -173.576 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 82.99 96.69 0.55 Allowed Glycine 0 CA--C 1.534 1.245 0 C-N-CA 125.373 1.463 . . . . 0.0 111.924 -176.367 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 24.4 p -71.69 137.71 48.01 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-O 122.023 0.916 . . . . 0.0 112.975 -177.548 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -90.23 126.09 35.71 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 126.334 1.854 . . . . 0.0 111.117 172.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 44.5 p90 -151.56 158.1 43.1 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 126.822 2.049 . . . . 0.0 110.421 175.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 48.6 tt0 57.95 88.23 0.06 Allowed 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 126.305 1.842 . . . . 0.0 113.415 -175.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 88.8 -7.15 82.76 Favored Glycine 0 CA--C 1.538 1.531 0 C-N-CA 125.043 1.306 . . . . 0.0 114.999 -178.092 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 12.6 p30 -146.27 158.15 43.86 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 126.422 1.889 . . . . 0.0 110.348 169.272 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.78 101.74 4.39 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 125.327 1.451 . . . . 0.0 111.241 -165.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -174.11 99.33 0.1 Allowed 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.706 1.602 . . . . 0.0 110.519 171.016 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 45.9 ttm-85 -91.38 138.22 31.75 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 120.882 -1.136 . . . . 0.0 110.341 168.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 67.9 t -136.66 119.73 21.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 125.2 1.4 . . . . 0.0 109.176 179.215 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 67.4 tt0 -159.22 130.12 6.03 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.464 0.706 . . . . 0.0 112.005 -174.595 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.4 m -93.42 114.86 64.03 Favored Pre-proline 0 N--CA 1.472 0.669 0 O-C-N 121.572 -0.705 . . . . 0.0 110.397 169.504 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -67.85 -27.71 37.0 Favored 'Trans proline' 0 CA--C 1.541 0.869 0 C-N-CA 122.605 2.203 . . . . 0.0 112.878 -179.148 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 52.3 p90 -77.9 -31.69 51.35 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.557 1.143 . . . . 0.0 113.338 177.17 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 57.5 m-80 59.49 -54.26 0.06 Allowed 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 128.369 2.668 . . . . 0.0 116.073 -171.543 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -156.52 179.73 8.98 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 126.034 1.734 . . . . 0.0 112.068 -175.626 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.16 145.07 49.54 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 126.391 1.877 . . . . 0.0 110.633 172.592 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 . . . . . 0 C--O 1.253 1.242 0 C-N-CA 125.671 1.588 . . . . 0.0 112.189 177.971 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 101' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.45 1 O4'-C1'-N19 112.453 4.253 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 102' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.328 3 P-O3'-C3' 126.987 6.073 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 103' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.508 0 O4'-C1'-N19 111.858 3.658 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.814 1 O4'-C1'-N19 114.981 6.781 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 105' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.724 0 O5'-C5'-C4' 114.144 2.817 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 106' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.163 0 O4'-C1'-N19 110.967 2.767 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.824 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 38.8 t -161.58 152.86 18.54 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.336 1.054 . . . . 0.0 111.255 178.138 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 1.2 p80 -86.94 -179.15 6.45 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 124.901 1.28 . . . . 0.0 112.865 -173.456 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 90.4 mtp -144.79 135.18 24.31 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.598 1.159 . . . . 0.0 111.28 177.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 5.5 p -79.56 144.08 11.48 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 O-C-N 121.318 -0.864 . . . . 0.0 109.595 155.676 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 64.9 mt -135.05 -72.73 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 124.55 1.14 . . . . 0.0 108.467 174.481 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 25.7 mtt180 -139.99 151.18 45.28 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 128.26 2.624 . . . . 0.0 108.446 173.449 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 54.04 -0.05 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.375 0 C-N-CA 128.074 2.55 . . . . 0.0 117.3 177.285 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.9 t 67.15 119.24 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 127.44 2.296 . . . . 0.0 113.328 -165.581 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 3.2 t -84.52 65.56 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 123.891 0.877 . . . . 0.0 111.866 -166.498 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.0 p -65.74 133.19 50.53 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.994 1.317 . . . . 0.0 111.986 174.201 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.8 ptt180 -165.05 129.17 2.41 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 -170.098 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.41 HD12 ' CZ ' ' A' ' 53' ' ' PHE . 6.2 mt -68.78 145.59 13.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 C-N-CA 123.78 0.832 . . . . 0.0 109.498 168.702 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -116.81 147.44 42.1 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.707 1.603 . . . . 0.0 110.11 172.505 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.7 p -138.19 134.96 44.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 C-N-CA 123.617 0.767 . . . . 0.0 110.331 166.562 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -130.58 158.48 22.53 Favored Glycine 0 CA--C 1.524 0.643 0 C-N-CA 125.549 1.547 . . . . 0.0 112.359 178.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 13.6 m120 52.84 42.0 31.87 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.771 0.828 . . . . 0.0 111.13 -173.335 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.5 pp -76.42 155.12 83.95 Favored Pre-proline 0 CA--C 1.546 0.818 0 C-N-CA 124.997 1.319 . . . . 0.0 112.679 -174.583 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -68.0 123.26 10.45 Favored 'Trans proline' 0 CA--C 1.54 0.784 0 C-N-CA 123.033 2.489 . . . . 0.0 111.741 174.394 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 17.5 m 55.24 -113.62 0.8 Allowed 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.423 1.489 . . . . 0.0 112.807 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 5.8 p-80 -163.46 68.38 0.2 Allowed 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 126.785 2.034 . . . . 0.0 109.103 178.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 14.9 p -57.09 131.86 21.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 123.91 0.884 . . . . 0.0 112.762 -174.319 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.28 142.95 52.21 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 124.373 1.069 . . . . 0.0 113.753 -170.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 68.1 m -50.9 -37.35 43.3 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 114.895 1.443 . . . . 0.0 114.895 -176.255 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.85 -26.12 49.15 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 -177.643 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -68.96 -47.81 64.72 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 118.27 0.486 . . . . 0.0 110.481 170.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 27.0 m -71.11 -21.98 22.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 176.747 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -61.39 -33.33 73.49 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 119.505 1.048 . . . . 0.0 111.865 169.478 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 29.6 m-80 -71.15 -51.68 23.58 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 121.079 -1.013 . . . . 0.0 111.413 171.326 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -64.0 -41.17 97.58 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 113.139 0.792 . . . . 0.0 113.139 -172.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -75.95 -11.38 59.95 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 115.066 1.506 . . . . 0.0 115.066 -178.507 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.7 mtp-105 -64.12 -19.7 65.46 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-N 120.218 1.372 . . . . 0.0 113.433 172.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 51.9 tttt -55.79 -32.71 63.74 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 124.311 1.045 . . . . 0.0 112.766 165.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -98.13 -37.26 9.79 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.588 1.155 . . . . 0.0 111.607 -167.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 176.26 177.36 45.2 Favored Glycine 0 CA--C 1.534 1.224 0 C-N-CA 125.129 1.347 . . . . 0.0 112.266 177.169 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 29.8 m-20 -77.77 86.38 4.04 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 118.204 1.002 . . . . 0.0 111.42 178.341 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.51 137.75 9.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 128.083 2.553 . . . . 0.0 113.51 177.283 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 88.8 mt -111.85 -29.67 7.58 Favored 'General case' 0 CA--C 1.548 0.904 0 N-CA-C 115.572 1.693 . . . . 0.0 115.572 -173.28 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.2 mmmm -153.77 150.59 28.65 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 128.693 2.797 . . . . 0.0 109.218 178.451 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 7.3 p -154.68 116.74 4.21 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.613 1.565 . . . . 0.0 111.582 175.482 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -147.78 140.07 24.39 Favored 'General case' 0 N--CA 1.478 0.962 0 O-C-N 120.54 -1.35 . . . . 0.0 113.843 -179.165 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 61.9 t -83.82 154.15 3.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 C-N-CA 127.171 2.188 . . . . 0.0 111.117 172.304 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.26 159.45 42.2 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 127.578 2.351 . . . . 0.0 110.152 172.79 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.78 146.3 52.07 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.923 1.289 . . . . 0.0 111.436 166.33 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 52.6 p -100.25 166.61 10.9 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 124.488 1.115 . . . . 0.0 112.242 176.605 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 23.0 m -65.37 -15.46 18.52 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.357 0 N-CA-C 115.014 1.487 . . . . 0.0 115.014 -178.399 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 23.0 t -80.0 -21.12 43.99 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.924 0.89 . . . . 0.0 112.426 169.258 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 107.53 -4.12 34.75 Favored Glycine 0 CA--C 1.53 1.013 0 C-N-CA 126.099 1.809 . . . . 0.0 115.384 178.217 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.76 134.49 52.29 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 118.893 1.346 . . . . 0.0 111.537 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -102.62 138.26 39.76 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.243 1.417 . . . . 0.0 112.178 -177.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -143.27 156.11 44.65 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 125.375 1.47 . . . . 0.0 111.078 -173.523 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -146.61 155.77 42.72 Favored 'General case' 0 CA--C 1.532 0.26 0 O-C-N 121.299 -0.876 . . . . 0.0 111.574 171.284 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.449 ' CD2' ' C8 ' ' B' ' 103' ' ' ' A' . 89.4 m-85 -138.14 137.72 37.94 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 123.939 0.895 . . . . 0.0 110.527 -177.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.7 mp -134.46 119.59 30.23 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 C-N-CA 125.029 1.332 . . . . 0.0 109.885 -171.486 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -80.89 131.88 35.4 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 126.011 1.725 . . . . 0.0 112.065 -171.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.41 ' CZ ' HD12 ' A' ' 10' ' ' ILE . 0.8 OUTLIER -132.77 155.58 48.63 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.933 1.693 . . . . 0.0 113.179 -155.404 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -123.8 -51.21 1.82 Allowed 'General case' 0 CA--C 1.55 0.965 0 N-CA-C 116.087 1.884 . . . . 0.0 116.087 -152.271 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.7 p-10 -121.7 78.39 1.45 Allowed 'General case' 0 N--CA 1.477 0.923 0 O-C-N 120.002 -1.686 . . . . 0.0 111.78 -178.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -52.28 -41.98 63.33 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 114.482 1.29 . . . . 0.0 114.482 -164.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.444 ' H ' ' HD3' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -73.2 -26.83 61.31 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.646 1.178 . . . . 0.0 113.494 -176.178 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.0 -49.67 8.72 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.915 1.286 . . . . 0.0 109.677 173.086 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.33 -32.33 64.57 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.649 1.18 . . . . 0.0 113.348 176.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.26 -33.23 65.26 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.677 1.191 . . . . 0.0 113.341 173.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -70.16 -31.56 69.11 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 119.271 0.941 . . . . 0.0 112.426 -179.527 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -79.73 -21.0 45.05 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.186 0.994 . . . . 0.0 112.539 169.059 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -82.28 -40.61 17.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 124.221 1.009 . . . . 0.0 112.826 177.643 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.61 -25.55 68.15 Favored 'General case' 0 N--CA 1.483 1.185 0 N-CA-C 114.138 1.162 . . . . 0.0 114.138 -174.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -77.05 -21.19 54.86 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.087 0.955 . . . . 0.0 112.866 173.192 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.6 mmpt? -95.81 -10.63 28.52 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.082 1.353 . . . . 0.0 113.839 -179.236 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -64.05 174.32 1.58 Allowed 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 114.21 1.189 . . . . 0.0 114.21 -173.048 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 89.76 83.89 1.34 Allowed Glycine 0 C--N 1.335 0.481 0 N-CA-C 110.175 -1.17 . . . . 0.0 110.175 -167.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 20.6 p -57.01 144.73 32.99 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.881 0.872 . . . . 0.0 110.537 173.341 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -138.82 149.99 45.55 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 114.194 1.183 . . . . 0.0 114.194 -175.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 4.1 p90 -160.14 166.35 29.92 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.7 1.6 . . . . 0.0 111.389 -156.353 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 58.2 93.47 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 126.69 1.996 . . . . 0.0 113.579 -178.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 75.49 -51.5 2.59 Favored Glycine 0 CA--C 1.534 1.227 0 O-C-N 121.354 -0.841 . . . . 0.0 112.031 -168.219 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 13.4 m-20 -71.97 143.75 49.13 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.927 0.891 . . . . 0.0 110.113 166.168 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.39 87.72 2.42 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 125.949 1.7 . . . . 0.0 109.704 -174.228 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -160.61 53.05 0.3 Allowed 'General case' 0 CA--C 1.555 1.154 0 N-CA-C 115.188 1.551 . . . . 0.0 115.188 -167.236 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 49.5 ttm-85 -84.38 81.6 8.76 Favored 'General case' 0 N--CA 1.483 1.208 0 O-C-N 119.17 -2.207 . . . . 0.0 110.681 165.42 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 53.0 t -81.77 131.46 33.78 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 157.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 57.3 tt0 -155.21 148.41 24.82 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-O 121.99 0.9 . . . . 0.0 112.84 -174.559 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 94.5 t -106.17 104.25 48.95 Favored Pre-proline 0 N--CA 1.476 0.858 0 C-N-CA 124.958 1.303 . . . . 0.0 110.5 -174.671 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -80.09 -15.64 11.55 Favored 'Trans proline' 0 CA--C 1.543 0.947 0 C-N-CA 123.183 2.589 . . . . 0.0 113.763 176.694 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 21.0 p90 -98.57 39.96 1.22 Allowed 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.515 1.526 . . . . 0.0 111.911 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 12.8 p-10 -69.79 23.59 0.03 OUTLIER 'General case' 0 CA--C 1.554 1.102 0 C-N-CA 127.324 2.25 . . . . 0.0 115.643 -172.175 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -144.64 118.79 9.47 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.396 1.078 . . . . 0.0 111.293 174.297 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 6.2 tpt85 -152.44 19.29 0.64 Allowed 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.087 1.355 . . . . 0.0 113.505 176.076 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 . . . . . 0 C--O 1.249 1.077 0 C-N-CA 126.241 1.817 . . . . 0.0 111.924 171.813 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 101' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.164 1 O4'-C1'-N19 113.763 5.563 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 102' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.332 1 O4'-C1'-N19 112.543 4.343 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 103' ' ' ' A' . . . . . 0.449 ' C8 ' ' CD2' ' A' ' 50' ' ' PHE . . . . . . . . 0 O4'--C4' 1.428 -2.113 1 O4'-C1'-N19 114.19 5.99 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.492 2 C3'-C2'-C1' 105.91 4.9 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 105' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.997 0 O4'-C1'-N19 111.193 2.993 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 106' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.788 0 C5'-C4'-O4' 114.622 3.873 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.941 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 22.7 m 59.61 22.8 11.5 Favored 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 116.524 2.046 . . . . 0.0 116.524 167.081 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -72.57 126.55 30.16 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 120.826 -1.171 . . . . 0.0 110.67 178.241 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 72.1 mtp 55.42 53.24 10.1 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.458 1.103 . . . . 0.0 113.887 177.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 3.2 m -68.55 86.51 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 125.132 1.373 . . . . 0.0 112.436 173.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 10.1 pt -56.42 -39.9 64.07 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 C-N-CA 125.087 1.355 . . . . 0.0 113.926 -164.785 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.24 -26.33 64.8 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.95 1.3 . . . . 0.0 114.091 176.735 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -120.99 37.85 4.21 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.735 1.614 . . . . 0.0 111.212 -175.123 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.6 m -59.2 168.59 1.36 Allowed 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.942 1.697 . . . . 0.0 113.609 176.117 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 78.3 t -136.08 116.14 17.4 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 C-N-CA 126.665 1.986 . . . . 0.0 107.02 178.37 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 20.8 p -95.91 105.38 17.39 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.715 1.206 . . . . 0.0 110.871 -171.23 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.88 152.41 51.05 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 114.267 1.21 . . . . 0.0 114.267 -173.371 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.3 mp -77.16 148.08 6.95 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 C-N-CA 126.036 1.735 . . . . 0.0 109.627 171.562 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -117.0 136.43 52.94 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.654 1.182 . . . . 0.0 110.733 160.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 19.8 m -132.42 148.48 31.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 C-N-CA 125.164 1.386 . . . . 0.0 110.097 161.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -158.05 162.34 32.14 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 116.08 1.192 . . . . 0.0 116.08 -171.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 42.6 t30 54.49 32.09 16.09 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 126.445 1.898 . . . . 0.0 114.485 176.723 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.3 mp -79.8 140.52 54.67 Favored Pre-proline 0 CA--C 1.544 0.719 0 C-N-CA 124.269 1.028 . . . . 0.0 111.436 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -67.21 155.35 70.97 Favored 'Trans proline' 0 CA--C 1.537 0.663 0 C-N-CA 122.741 2.294 . . . . 0.0 111.464 166.263 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.5 t 64.98 -34.54 0.17 Allowed 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 127.838 2.455 . . . . 0.0 115.718 -175.625 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . 0.283 0.2 OUTLIER 64.39 170.68 0.18 Allowed 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 127.012 2.125 . . . . 0.0 113.078 -175.943 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.4 m -127.33 127.71 69.39 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 124.887 1.275 . . . . 0.0 111.045 -176.492 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 89.1 p -74.1 163.5 27.79 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.962 0.905 . . . . 0.0 111.558 172.537 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 21.7 p -52.51 -38.03 58.7 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.156 0.983 . . . . 0.0 112.884 175.069 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -55.29 -46.78 76.21 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 125.679 1.592 . . . . 0.0 112.472 171.174 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.75 -33.53 52.82 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 112.783 0.66 . . . . 0.0 112.783 -177.704 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.2 t -58.57 -46.08 90.17 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 CA-C-O 118.444 -0.789 . . . . 0.0 111.08 179.403 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -63.75 -43.33 96.75 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 119.973 1.26 . . . . 0.0 112.042 172.502 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -64.53 -35.42 80.91 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 -173.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.7 tp10 -77.19 -53.8 7.29 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.315 1.446 . . . . 0.0 111.072 173.31 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.408 ' HA ' ' CD1' ' A' ' 31' ' ' TYR . 46.8 m-85 -79.56 -15.08 58.32 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 115.356 1.613 . . . . 0.0 115.356 -167.129 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 59.5 mtt-85 -59.41 -22.25 61.15 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 120.238 1.381 . . . . 0.0 114.315 169.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.99 -8.44 56.52 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 119.657 1.117 . . . . 0.0 113.494 173.749 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.408 ' CD1' ' HA ' ' A' ' 28' ' ' PHE . 1.5 m-85 -103.15 -38.98 7.05 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.565 1.546 . . . . 0.0 111.45 178.827 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -180.0 177.16 47.89 Favored Glycine 0 CA--C 1.535 1.328 0 N-CA-C 116.013 1.165 . . . . 0.0 116.013 -178.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -72.78 100.68 2.92 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.733 1.213 . . . . 0.0 111.418 178.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -66.72 113.59 3.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 125.173 1.389 . . . . 0.0 112.402 -178.203 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 45.8 mt -91.68 -30.81 16.1 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.873 1.269 . . . . 0.0 112.619 176.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.0 ttpp -160.11 161.04 33.7 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 126.215 1.806 . . . . 0.0 109.819 165.718 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 29.4 p -137.53 164.39 28.83 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.336 1.055 . . . . 0.0 109.975 160.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -161.07 171.6 18.31 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.03 0.932 . . . . 0.0 111.944 173.149 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.1 p -139.08 138.86 41.01 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 124.753 1.221 . . . . 0.0 111.495 -170.13 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 37.6 mmtt -142.04 178.65 7.38 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 126.529 1.931 . . . . 0.0 110.868 -172.438 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.55 145.88 17.8 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.2 1.0 . . . . 0.0 112.057 176.025 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.3 t -79.77 155.64 27.82 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-O 121.777 0.799 . . . . 0.0 110.89 165.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 29.9 m -54.7 -27.29 18.01 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 C-N-CA 124.842 1.257 . . . . 0.0 112.902 164.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.9 t -79.45 20.98 0.51 Allowed 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 125.263 1.425 . . . . 0.0 114.065 173.125 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.78 -11.6 19.77 Favored Glycine 0 CA--C 1.533 1.215 0 N-CA-C 117.721 1.849 . . . . 0.0 117.721 165.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.96 126.59 30.13 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 119.983 1.891 . . . . 0.0 111.119 172.314 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -82.05 153.97 25.87 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.477 0.711 . . . . 0.0 111.44 167.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -134.19 145.75 49.51 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 126.297 1.839 . . . . 0.0 110.573 -177.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -136.31 147.12 47.29 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.867 0.867 . . . . 0.0 111.408 176.058 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -138.78 142.24 38.78 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 123.837 0.855 . . . . 0.0 111.943 -169.248 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.4 mp -139.75 127.4 25.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 124.295 1.038 . . . . 0.0 110.84 -174.399 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -95.9 123.88 39.67 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 126.566 1.946 . . . . 0.0 110.116 178.05 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -121.29 146.11 47.18 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.914 1.286 . . . . 0.0 112.346 169.707 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -65.63 -54.34 28.97 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 121.529 -0.732 . . . . 0.0 112.131 164.429 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -80.57 59.4 3.54 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 124.422 1.089 . . . . 0.0 113.625 -177.641 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -49.61 -37.7 28.91 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.787 0.835 . . . . 0.0 112.409 173.258 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.84 -33.12 74.14 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 114.719 1.377 . . . . 0.0 114.719 176.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -79.49 -43.93 22.23 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 118.735 0.698 . . . . 0.0 111.071 178.266 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.0 -23.82 65.97 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.186 1.394 . . . . 0.0 113.678 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -54.15 -41.52 68.54 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.74 0.816 . . . . 0.0 112.699 179.638 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -65.02 -41.27 95.43 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 118.819 0.736 . . . . 0.0 112.495 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -71.09 -25.02 62.42 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.144 0.977 . . . . 0.0 112.882 174.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -79.75 -43.38 22.99 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 O-C-N 121.519 -0.738 . . . . 0.0 111.939 175.764 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.88 -23.83 66.73 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 114.1 1.148 . . . . 0.0 114.1 -171.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.94 -30.22 70.09 Favored 'General case' 0 CA--C 1.545 0.787 0 O-C-N 120.581 -1.324 . . . . 0.0 112.297 170.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -81.78 -0.53 43.59 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.93 1.292 . . . . 0.0 113.864 176.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -69.37 178.47 2.39 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 119.173 0.897 . . . . 0.0 112.838 173.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.45 45.48 4.03 Favored Glycine 0 CA--C 1.525 0.717 0 C-N-CA 124.27 0.938 . . . . 0.0 110.914 -179.156 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 28.2 p -54.61 146.81 15.66 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.401 1.081 . . . . 0.0 113.193 -172.144 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -143.09 148.94 37.47 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.103 0.961 . . . . 0.0 111.609 -156.506 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 45.9 p90 -154.93 178.32 10.31 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.722 1.609 . . . . 0.0 111.053 -169.316 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 58.1 95.73 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.614 1.566 . . . . 0.0 112.452 -177.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 76.74 -59.85 3.39 Favored Glycine 0 CA--C 1.529 0.925 0 C-N-CA 124.498 1.047 . . . . 0.0 111.974 -169.713 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -68.71 161.26 28.67 Favored 'General case' 0 CA--C 1.543 0.684 0 O-C-N 121.901 -0.764 . . . . 0.0 111.091 161.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.6 ptpt -161.3 112.67 1.77 Allowed 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 125.155 1.382 . . . . 0.0 111.173 166.507 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.6 mp -154.63 130.02 9.77 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 126.256 1.822 . . . . 0.0 108.942 173.694 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 7.1 ttt180 -133.09 146.13 51.37 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 119.026 0.83 . . . . 0.0 112.655 171.322 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 96.4 t -151.0 140.83 15.72 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 127.383 2.273 . . . . 0.0 107.625 -174.012 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -151.28 160.11 43.98 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 121.759 0.79 . . . . 0.0 112.49 169.338 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 3.3 p -130.24 95.01 28.81 Favored Pre-proline 0 CA--C 1.543 0.709 0 C-N-CA 125.522 1.529 . . . . 0.0 111.035 -172.165 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_endo -74.71 33.9 0.38 Allowed 'Trans proline' 0 CA--C 1.547 1.126 0 C-N-CA 124.766 3.644 . . . . 0.0 113.47 176.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 38.3 p90 -146.42 31.92 0.99 Allowed 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 127.094 2.157 . . . . 0.0 110.553 172.001 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -57.3 -25.11 58.77 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.694 1.598 . . . . 0.0 113.639 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -113.95 134.83 54.58 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 108.226 -1.028 . . . . 0.0 108.226 145.635 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 10.0 ttp180 -61.0 -38.92 87.74 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.61 0.764 . . . . 0.0 112.677 -175.354 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 . . . . . 0 C--O 1.249 1.04 0 C-N-CA 124.689 1.196 . . . . 0.0 109.622 163.875 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 101' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.945 1 O4'-C1'-N19 113.766 5.566 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 102' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.226 0 O4'-C1'-N19 111.066 2.866 . 0.292 2o . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 103' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.576 -2.543 2 C5'-C4'-C3' 107.081 -5.613 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.546 5 O4'-C1'-N19 120.35 12.15 . 0.0 OUTLIER beta 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 105' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.039 0 O4'-C1'-N19 112.02 3.82 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 106' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.522 0 O4'-C1'-N19 111.805 3.605 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.648 0 N-CA-C 111.116 -0.794 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 48.7 m -81.17 76.69 8.11 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.493 1.117 . . . . 0.0 112.733 -174.049 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 21.1 t-160 -160.93 114.49 2.02 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 127.176 2.191 . . . . 0.0 109.17 172.666 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.6 ptt? -153.74 -40.21 0.09 Allowed 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 115.34 1.607 . . . . 0.0 115.34 178.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.8 t -135.36 70.66 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.167 0 C-N-CA 124.414 1.085 . . . . 0.0 110.153 -177.489 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 20.7 tt -156.33 140.77 8.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 125.634 1.573 . . . . 0.0 110.291 176.148 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 16.1 mmt180 -78.36 -3.41 43.01 Favored 'General case' 0 N--CA 1.481 1.122 0 N-CA-C 115.208 1.559 . . . . 0.0 115.208 -178.01 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -141.34 139.31 33.55 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.097 1.359 . . . . 0.0 111.876 -172.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.2 t -68.59 133.0 47.87 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.606 0.762 . . . . 0.0 112.068 179.138 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 61.6 t -86.98 122.0 38.41 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 124.534 1.134 . . . . 0.0 110.781 -178.46 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.9 m -79.09 129.62 34.64 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.772 0.829 . . . . 0.0 110.977 176.596 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 33.9 mtm-85 -135.16 145.53 47.87 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.135 0.974 . . . . 0.0 112.71 177.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 57.9 mt -104.54 149.16 8.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 126.108 1.763 . . . . 0.0 110.001 174.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 33.3 t80 -134.57 152.69 51.95 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 126.719 2.008 . . . . 0.0 111.422 178.336 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 20.3 t -139.87 127.14 24.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 124.23 1.012 . . . . 0.0 109.518 165.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -91.85 135.47 12.77 Favored Glycine 0 CA--C 1.53 0.98 0 C-N-CA 125.494 1.521 . . . . 0.0 113.677 -177.425 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.2 m120 57.68 33.2 22.94 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 125.23 1.412 . . . . 0.0 113.177 -179.351 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.2 125.2 89.79 Favored Pre-proline 0 CA--C 1.55 0.947 0 C-N-CA 125.81 1.644 . . . . 0.0 111.313 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -72.92 175.11 10.86 Favored 'Trans proline' 0 CA--C 1.542 0.883 0 C-N-CA 123.452 2.768 . . . . 0.0 111.604 171.412 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.3 t -72.62 35.96 0.07 Allowed 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 124.706 1.202 . . . . 0.0 113.859 175.514 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 66.5 t60 -68.18 -33.05 73.73 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 126.57 1.948 . . . . 0.0 112.19 174.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 15.4 m -134.44 125.95 47.95 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 125.225 1.41 . . . . 0.0 110.936 173.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 97.2 p -80.75 174.37 11.68 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.585 1.554 . . . . 0.0 111.143 167.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 77.7 p -55.51 -30.28 60.38 Favored 'General case' 0 N--CA 1.478 0.973 0 O-C-N 120.737 -1.227 . . . . 0.0 113.138 172.339 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -69.19 -52.41 28.25 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 125.267 1.427 . . . . 0.0 111.638 171.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -69.78 -29.23 66.5 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 113.589 0.959 . . . . 0.0 113.589 -177.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 37.4 t -57.9 -39.58 72.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 124.421 1.088 . . . . 0.0 111.515 175.649 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 76.0 tt0 -61.43 -53.96 49.74 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 119.643 1.11 . . . . 0.0 111.585 174.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 28.1 m120 -64.68 -31.49 72.73 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 113.042 0.756 . . . . 0.0 113.042 -178.349 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.6 tp10 -69.85 -53.81 16.42 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.92 0.888 . . . . 0.0 111.84 173.68 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -78.45 -14.09 59.53 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 114.628 1.344 . . . . 0.0 114.628 -174.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 64.9 mtt-85 -57.93 -25.03 60.35 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-N 120.291 1.405 . . . . 0.0 114.557 172.312 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.66 -32.18 69.36 Favored 'General case' 0 N--CA 1.483 1.196 0 CA-C-N 119.6 1.091 . . . . 0.0 112.124 171.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -74.83 -36.94 62.4 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.159 1.384 . . . . 0.0 110.576 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 163.68 -165.87 37.08 Favored Glycine 0 CA--C 1.533 1.172 0 C-N-CA 124.881 1.229 . . . . 0.0 112.992 174.104 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 73.4 m-20 -76.06 90.55 3.05 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-O 122.156 0.979 . . . . 0.0 112.541 -178.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -57.4 133.56 22.03 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 C-N-CA 125.437 1.495 . . . . 0.0 110.351 160.213 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 75.0 mt -101.02 -38.56 8.13 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.395 1.478 . . . . 0.0 112.503 175.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -156.26 147.97 22.86 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 126.309 1.844 . . . . 0.0 110.267 179.777 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 9.0 p -146.33 139.29 25.58 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.286 1.034 . . . . 0.0 112.289 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -160.81 132.66 5.85 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.421 1.488 . . . . 0.0 110.267 171.32 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.5 m -85.07 149.02 4.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 123.854 0.862 . . . . 0.0 110.947 171.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.13 170.43 14.55 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 125.228 1.411 . . . . 0.0 111.496 176.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.89 152.91 40.97 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.998 1.319 . . . . 0.0 113.116 177.324 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 82.1 p -98.98 167.55 10.66 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.051 1.341 . . . . 0.0 111.939 174.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 64.1 t -61.47 -25.65 37.27 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 C-N-CA 124.695 1.198 . . . . 0.0 112.437 177.482 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 22.7 t -65.52 -17.25 64.42 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.111 1.365 . . . . 0.0 113.601 172.546 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 91.19 -1.3 76.84 Favored Glycine 0 CA--C 1.536 1.353 0 C-N-CA 125.46 1.505 . . . . 0.0 114.626 -178.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.2 143.01 54.13 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 118.369 1.084 . . . . 0.0 110.744 168.598 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -127.03 157.66 39.02 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.797 1.239 . . . . 0.0 112.372 -179.194 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 -148.16 128.5 13.89 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 124.493 1.117 . . . . 0.0 111.082 -162.22 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -84.12 140.79 31.55 Favored 'General case' 0 N--CA 1.467 0.402 0 O-C-N 122.179 -0.325 . . . . 0.0 111.094 169.201 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -138.32 131.1 29.52 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 125.103 1.361 . . . . 0.0 110.433 173.535 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.2 mp -139.01 131.36 37.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 124.37 1.068 . . . . 0.0 110.881 -172.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -88.15 135.13 33.58 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.506 1.522 . . . . 0.0 111.615 173.061 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -130.15 150.93 51.19 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 126.171 1.788 . . . . 0.0 111.441 -177.169 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 25.8 pt-20 -83.41 -27.06 29.85 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 113.947 1.091 . . . . 0.0 113.947 173.578 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -136.05 119.46 16.86 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.433 1.493 . . . . 0.0 112.222 -174.165 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.22 -61.99 1.57 Allowed 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.01 0.924 . . . . 0.0 113.058 175.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.442 ' H ' ' HD3' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -60.63 -28.7 68.74 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 114.701 1.371 . . . . 0.0 114.701 -170.614 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -69.18 -45.18 70.59 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.73 0.812 . . . . 0.0 111.616 174.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -77.6 -24.85 49.55 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.581 1.152 . . . . 0.0 113.656 178.545 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.78 -37.56 76.57 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.087 0.955 . . . . 0.0 112.998 -178.027 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -64.87 -32.5 74.24 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 121.526 -0.734 . . . . 0.0 112.924 175.028 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -82.4 -27.36 32.07 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.366 1.066 . . . . 0.0 113.135 175.46 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -78.71 -37.52 20.65 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 O-C-N 121.267 -0.895 . . . . 0.0 111.558 176.007 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.88 -22.14 62.32 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 114.421 1.267 . . . . 0.0 114.421 -176.616 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -69.4 -8.34 45.75 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 119.341 0.973 . . . . 0.0 113.063 170.728 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -103.97 10.85 36.02 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 126.27 1.828 . . . . 0.0 113.188 174.152 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 24.2 p-10 -67.97 179.14 1.56 Allowed 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 114.1 1.148 . . . . 0.0 114.1 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 83.53 65.95 1.54 Allowed Glycine 0 CA--C 1.532 1.109 0 C-N-CA 124.208 0.909 . . . . 0.0 111.386 -172.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 13.8 p -59.66 141.06 55.84 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.818 1.247 . . . . 0.0 112.927 -177.227 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -106.02 134.54 48.98 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.891 1.676 . . . . 0.0 112.39 -175.132 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -157.27 174.49 15.37 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 126.64 1.976 . . . . 0.0 111.632 -175.369 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 56.28 31.02 17.74 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 126.136 1.774 . . . . 0.0 115.224 175.685 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 152.91 -38.55 0.74 Allowed Glycine 0 CA--C 1.531 1.064 0 C-N-CA 125.684 1.611 . . . . 0.0 112.18 176.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 71.3 m-20 -97.78 155.09 17.19 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.491 1.516 . . . . 0.0 110.837 168.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.92 90.59 3.18 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 125.777 1.631 . . . . 0.0 109.824 177.613 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -162.6 73.36 0.37 Allowed 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.481 1.112 . . . . 0.0 110.749 179.267 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 37.9 ttm180 -86.02 130.48 34.52 Favored 'General case' 0 N--CA 1.478 0.935 0 O-C-N 120.63 -1.294 . . . . 0.0 110.935 175.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 93.0 t -121.83 125.28 73.06 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 124.909 1.284 . . . . 0.0 109.352 175.415 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -161.68 142.57 10.92 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.865 2.066 . . . . 0.0 108.038 -169.605 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 5.7 p -128.13 109.33 19.8 Favored Pre-proline 0 CA--C 1.547 0.841 0 CA-C-N 119.225 0.92 . . . . 0.0 113.019 -169.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -75.61 48.1 2.06 Favored 'Trans proline' 0 CA--C 1.549 1.256 0 C-N-CA 124.169 3.246 . . . . 0.0 113.3 174.331 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 18.7 m-30 -78.52 -27.75 46.11 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.824 1.25 . . . . 0.0 112.489 162.387 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 19.0 m120 57.29 25.92 11.73 Favored 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 125.76 1.624 . . . . 0.0 114.387 -174.65 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 59.87 169.88 0.08 Allowed 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 127.627 2.371 . . . . 0.0 115.375 -174.276 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 4.4 mmt180 -146.15 143.36 29.26 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 125.815 1.646 . . . . 0.0 111.879 -178.615 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 . . . . . 0 C--O 1.255 1.365 0 C-N-CA 127.14 2.176 . . . . 0.0 114.105 177.223 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 101' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.112 1 O4'-C1'-N19 112.571 4.371 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 102' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.038 1 N19-C1'-C2' 122.656 5.785 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 103' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.569 0 C3'-C2'-C1' 104.698 3.553 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.319 1 C3'-C2'-C1' 105.206 4.118 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 105' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.32 0 P-O3'-C3' 123.323 3.02 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 106' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.367 2 O4'-C1'-N19 113.248 5.048 . 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.398 0 N-CA-C 111.428 -0.669 . . . . 0.0 111.428 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 22.6 t -149.58 158.29 44.04 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.934 1.294 . . . . 0.0 111.806 177.328 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 29.1 p80 -70.17 169.41 13.65 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.862 1.265 . . . . 0.0 113.479 -177.406 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.8 ttp -149.86 166.05 30.7 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.898 1.279 . . . . 0.0 111.63 178.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 14.8 p -130.2 142.98 42.39 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 125.406 1.482 . . . . 0.0 110.963 176.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 79.9 mt -132.36 -53.01 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 125.202 1.401 . . . . 0.0 111.022 -174.39 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 5.4 mtm180 -164.48 139.5 5.66 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 126.822 2.049 . . . . 0.0 110.408 175.26 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 55.41 22.01 4.68 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 126.122 1.769 . . . . 0.0 115.522 174.136 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.6 t 62.87 147.71 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 127.134 2.174 . . . . 0.0 114.748 -165.611 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 3.1 t -116.84 45.19 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 125.704 1.602 . . . . 0.0 110.548 -172.206 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 27.3 p -64.65 127.6 32.23 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.3 1.04 . . . . 0.0 111.298 176.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.8 ptt180 -153.12 133.24 13.39 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.462 1.105 . . . . 0.0 112.927 -171.353 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.2 mt -69.43 143.77 14.62 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 123.506 0.723 . . . . 0.0 109.649 175.555 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -111.77 149.36 31.81 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 126.157 1.783 . . . . 0.0 110.615 169.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.3 p -136.9 124.96 33.46 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 123.273 0.629 . . . . 0.0 111.113 165.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -90.83 138.44 14.37 Favored Glycine 0 CA--C 1.524 0.646 0 C-N-CA 125.992 1.758 . . . . 0.0 113.266 179.467 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 12.5 m120 52.59 42.12 31.38 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.334 1.453 . . . . 0.0 112.921 173.291 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.6 pp -61.36 156.6 50.61 Favored Pre-proline 0 CA--C 1.55 0.954 0 C-N-CA 125.567 1.547 . . . . 0.0 113.71 -173.209 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -69.84 122.26 8.92 Favored 'Trans proline' 0 CA--C 1.541 0.843 0 C-N-CA 122.787 2.324 . . . . 0.0 111.676 -179.638 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 38.3 m 52.99 -117.21 1.15 Allowed 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.353 1.461 . . . . 0.0 112.948 -178.374 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 35.5 p-80 -155.32 67.51 0.66 Allowed 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.561 1.544 . . . . 0.0 110.42 -174.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 12.3 p -54.02 136.55 15.57 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 124.679 1.192 . . . . 0.0 112.832 -176.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.0 m -71.46 144.83 49.57 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.746 0.818 . . . . 0.0 112.261 -179.29 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 16.5 m -57.42 -35.12 69.67 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.073 0.949 . . . . 0.0 113.233 -177.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -66.35 -29.46 69.65 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.12 0.968 . . . . 0.0 113.322 177.268 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -76.06 -47.14 25.77 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.417 0.687 . . . . 0.0 111.223 178.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 17.5 m -67.75 -33.49 62.05 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 CA-C-O 118.852 -0.594 . . . . 0.0 112.121 174.595 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 64.6 tt0 -55.04 -54.5 42.24 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 119.62 1.1 . . . . 0.0 111.071 171.292 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 62.6 m-80 -72.43 -23.39 61.07 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 114.004 1.112 . . . . 0.0 114.004 -178.062 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -68.87 -48.63 62.95 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 119.082 0.856 . . . . 0.0 111.605 167.614 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -79.94 -7.83 58.99 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 115.248 1.573 . . . . 0.0 115.248 -175.69 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 65.2 mtp180 -55.21 -25.13 30.94 Favored 'General case' 0 N--CA 1.487 1.419 0 CA-C-N 120.157 1.344 . . . . 0.0 113.711 167.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 70.1 tttt -60.24 -33.85 72.87 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 125.873 1.669 . . . . 0.0 113.327 169.696 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -91.56 -33.23 15.23 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.708 1.603 . . . . 0.0 111.381 -170.411 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 172.5 177.69 42.1 Favored Glycine 0 CA--C 1.534 1.277 0 C-N-CA 126.081 1.8 . . . . 0.0 112.251 174.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -70.38 90.01 0.7 Allowed 'General case' 0 CA--C 1.543 0.686 0 O-C-N 121.39 -1.065 . . . . 0.0 110.986 171.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -52.2 130.55 13.15 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 C-N-CA 125.375 1.47 . . . . 0.0 111.217 174.502 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 90.1 mt -92.03 -45.33 8.37 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.408 1.083 . . . . 0.0 112.702 -173.685 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.6 tmmm? -159.32 143.67 15.25 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 125.885 1.674 . . . . 0.0 110.132 176.247 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 30.1 p -146.07 148.1 32.3 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.825 0.85 . . . . 0.0 112.319 175.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -161.49 164.13 29.86 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.934 1.694 . . . . 0.0 111.705 -178.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.6 t -125.79 139.47 51.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 125.467 1.507 . . . . 0.0 111.388 -176.287 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.9 167.46 15.22 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 127.365 2.266 . . . . 0.0 110.941 -176.435 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.54 149.49 37.52 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.72 1.208 . . . . 0.0 112.477 169.823 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 73.0 p -96.8 167.02 11.36 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.659 1.184 . . . . 0.0 111.981 176.284 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 34.8 m -64.34 -17.21 20.61 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 174.447 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 18.3 t -72.19 -15.26 61.95 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.854 1.261 . . . . 0.0 113.093 170.135 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 90.63 0.08 76.28 Favored Glycine 0 CA--C 1.536 1.348 0 C-N-CA 125.602 1.572 . . . . 0.0 114.809 -179.003 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.07 140.89 45.65 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 118.518 1.159 . . . . 0.0 111.341 173.57 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -111.2 145.37 38.81 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.03 1.332 . . . . 0.0 112.38 -179.632 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -143.59 127.86 17.73 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 125.26 1.424 . . . . 0.0 111.373 -169.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -112.94 145.79 40.15 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 123.819 0.847 . . . . 0.0 111.422 176.728 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -131.91 133.3 44.42 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 124.432 1.093 . . . . 0.0 110.801 178.606 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.1 mp -136.39 106.7 5.56 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 C-N-CA 124.634 1.174 . . . . 0.0 110.379 -167.295 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 76.4 tt0 -77.48 127.4 32.45 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 125.003 1.321 . . . . 0.0 112.98 -175.277 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 2.7 m-30 -107.57 163.87 12.71 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 125.715 1.606 . . . . 0.0 114.672 -166.138 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -86.03 -55.04 4.13 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.253 1.421 . . . . 0.0 113.666 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.6 p-10 -149.47 112.42 4.86 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.528 1.131 . . . . 0.0 113.222 -170.56 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.87 -36.59 84.83 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 114.599 1.333 . . . . 0.0 114.599 -169.658 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -65.11 -43.89 90.55 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-N 118.699 0.681 . . . . 0.0 112.14 -175.739 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -73.87 -40.03 63.53 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.659 0.784 . . . . 0.0 111.26 178.218 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.38 -36.1 79.33 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 176.118 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.87 -34.66 73.44 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 113.638 0.977 . . . . 0.0 113.638 -177.701 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -66.09 -29.41 69.73 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 121.336 -0.852 . . . . 0.0 113.074 176.355 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -84.8 -29.45 25.38 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.245 1.018 . . . . 0.0 112.626 171.432 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -71.18 -35.97 60.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 O-C-N 121.054 -1.029 . . . . 0.0 112.334 178.049 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.89 -14.21 62.78 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 115.119 1.526 . . . . 0.0 115.119 -175.458 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -91.89 -6.82 50.79 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.169 0.987 . . . . 0.0 113.514 171.08 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 11.5 mmpt? -97.97 1.23 47.68 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 125.959 1.704 . . . . 0.0 113.439 171.392 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 13.7 p-10 -69.6 175.98 3.81 Favored 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 113.85 1.056 . . . . 0.0 113.85 -177.141 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 79.88 77.42 0.94 Allowed Glycine 0 CA--C 1.53 1.002 0 C-N-CA 124.098 0.856 . . . . 0.0 111.753 -176.075 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 17.6 p -60.8 150.59 32.19 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.54 1.136 . . . . 0.0 112.446 177.024 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -145.34 132.96 20.92 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.932 1.293 . . . . 0.0 111.268 -163.693 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 4.1 p90 -158.55 171.37 20.25 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 126.051 1.74 . . . . 0.0 111.633 -158.769 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 57.65 28.76 16.21 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 125.42 1.488 . . . . 0.0 114.074 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 164.28 -36.0 0.29 Allowed Glycine 0 CA--C 1.533 1.196 0 C-N-CA 125.728 1.632 . . . . 0.0 112.488 179.197 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 52.2 m-80 -107.99 161.98 14.45 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.902 1.681 . . . . 0.0 111.012 169.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.65 63.64 1.2 Allowed 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 126.036 1.735 . . . . 0.0 111.143 -170.317 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.4 mt -152.11 96.03 2.14 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.203 1.001 . . . . 0.0 112.958 -174.308 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 43.0 ttm-85 -108.97 89.72 3.08 Favored 'General case' 0 N--CA 1.481 1.121 0 O-C-N 120.927 -1.108 . . . . 0.0 110.358 161.169 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 97.4 t -80.88 125.41 39.4 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 168.276 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 68.4 tt0 -155.52 141.65 18.36 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-O 121.465 0.65 . . . . 0.0 112.727 -175.393 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 85.4 t -103.85 114.69 64.38 Favored Pre-proline 0 N--CA 1.476 0.842 0 C-N-CA 125.06 1.344 . . . . 0.0 111.326 -175.382 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -79.55 -22.95 7.57 Favored 'Trans proline' 0 CA--C 1.544 0.996 0 C-N-CA 122.904 2.403 . . . . 0.0 113.404 175.339 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 54.8 p90 -89.79 27.96 1.44 Allowed 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 125.876 1.671 . . . . 0.0 113.672 -178.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 50.4 p-10 -72.44 32.63 0.06 Allowed 'General case' 0 CA--C 1.555 1.145 0 N-CA-C 116.369 1.989 . . . . 0.0 116.369 -168.416 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -146.58 122.2 10.47 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.783 1.633 . . . . 0.0 110.482 170.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 13.4 tpt85 -155.75 -3.2 0.13 Allowed 'General case' 0 N--CA 1.484 1.252 0 N-CA-C 114.722 1.378 . . . . 0.0 114.722 -178.218 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.3 pm0 . . . . . 0 C--O 1.251 1.163 0 C-N-CA 126.355 1.862 . . . . 0.0 113.838 174.962 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 101' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.453 1 O4'-C1'-N19 116.172 7.972 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 102' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.317 0 O4'-C1'-N19 111.637 3.437 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 103' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.117 1 O4'-C1'-N19 112.571 4.371 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.784 0 C3'-C2'-C1' 104.411 3.234 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 105' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.651 0 C1'-O4'-C4' 106.933 -2.963 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 106' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.617 2.372 0 O4'-C1'-N19 111.434 3.234 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.672 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 21.4 m -62.15 152.02 34.22 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.505 1.122 . . . . 0.0 113.014 179.128 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 34.0 p80 -147.55 158.16 43.88 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.338 1.455 . . . . 0.0 111.392 179.252 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.8 ptp -162.47 170.97 17.82 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.121 1.368 . . . . 0.0 111.923 -174.014 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 10.6 p -123.03 156.24 28.71 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 126.364 1.866 . . . . 0.0 110.638 178.58 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 47.4 pt -60.49 149.79 7.25 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 124.538 1.135 . . . . 0.0 112.639 175.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -141.21 135.37 30.67 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.662 1.585 . . . . 0.0 110.634 -177.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 53.05 27.98 6.29 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 125.663 1.585 . . . . 0.0 114.101 179.027 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.6 t -158.53 -179.9 8.52 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.921 1.688 . . . . 0.0 111.674 -170.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.7 p -133.78 -29.96 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 C-N-CA 125.993 1.717 . . . . 0.0 113.625 -178.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 40.0 t -156.92 123.76 5.12 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.967 1.307 . . . . 0.0 110.287 177.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 25.1 ttp85 -152.13 135.59 16.04 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.762 0.825 . . . . 0.0 112.688 -173.515 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 13.2 mm -72.94 149.15 8.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 125.87 1.668 . . . . 0.0 111.252 170.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 45.8 t80 -132.74 132.78 42.67 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.428 1.091 . . . . 0.0 111.226 161.567 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.4 t -133.56 127.03 52.69 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 124.767 1.227 . . . . 0.0 108.951 170.732 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -115.41 144.5 18.45 Favored Glycine 0 CA--C 1.529 0.929 0 C-N-CA 125.116 1.341 . . . . 0.0 114.364 -172.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.1 m-80 57.51 21.14 6.74 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 126.463 1.905 . . . . 0.0 114.175 -175.274 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -67.4 145.89 98.58 Favored Pre-proline 0 CA--C 1.549 0.936 0 N-CA-C 114.412 1.264 . . . . 0.0 114.412 -161.524 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -70.8 169.05 21.18 Favored 'Trans proline' 0 CA--C 1.54 0.813 0 C-N-CA 123.626 2.884 . . . . 0.0 112.054 169.428 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.2 m -72.27 40.97 0.08 Allowed 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 126.321 1.848 . . . . 0.0 114.511 -179.273 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -67.25 -35.88 80.46 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.576 1.55 . . . . 0.0 113.62 -176.485 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 10.7 p -150.05 134.16 8.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 124.638 1.175 . . . . 0.0 111.241 -172.366 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 33.1 m -87.64 166.9 14.35 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.142 0.977 . . . . 0.0 112.139 176.462 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 58.7 p -57.22 -46.25 83.12 Favored 'General case' 0 N--CA 1.479 0.998 0 O-C-N 121.169 -0.957 . . . . 0.0 112.168 173.043 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -57.13 -37.16 71.59 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 126.239 1.816 . . . . 0.0 112.899 173.005 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 58.1 m-20 -75.24 -50.94 14.55 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.585 0.754 . . . . 0.0 111.473 179.553 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 4.2 p -67.04 -29.0 44.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 123.349 0.66 . . . . 0.0 112.66 -177.207 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 49.6 tt0 -56.15 -28.64 58.8 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.096 1.359 . . . . 0.0 112.883 170.309 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -105.33 -40.19 5.91 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.769 1.227 . . . . 0.0 112.948 -179.685 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.7 tp10 -66.85 -38.61 86.7 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.384 1.073 . . . . 0.0 113.251 -174.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 6.9 m-30 -70.61 -17.13 62.89 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 -179.14 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 64.3 mtp180 -60.2 -25.67 65.77 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 114.498 1.295 . . . . 0.0 114.498 -172.117 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.525 ' HE3' ' CD1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -73.47 -34.18 65.24 Favored 'General case' 0 N--CA 1.483 1.184 0 CA-C-N 119.082 0.855 . . . . 0.0 112.49 173.749 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.525 ' CD1' ' HE3' ' A' ' 30' ' ' LYS . 89.2 m-85 -79.89 -35.91 37.28 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 125.119 1.368 . . . . 0.0 112.071 178.624 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -178.41 165.33 34.53 Favored Glycine 0 CA--C 1.529 0.929 0 C-N-CA 124.171 0.891 . . . . 0.0 112.651 176.231 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 21.7 m120 -71.34 104.3 3.13 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 121.479 -1.013 . . . . 0.0 110.315 176.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -67.48 130.7 32.97 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 C-N-CA 124.291 1.037 . . . . 0.0 109.547 168.339 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 80.0 mt -99.29 -41.08 7.61 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.627 1.171 . . . . 0.0 112.323 -178.088 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.61 146.68 18.25 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 125.772 1.629 . . . . 0.0 110.633 175.021 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 26.7 p -143.43 143.79 31.76 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.734 1.214 . . . . 0.0 113.008 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -160.06 166.18 30.41 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.336 1.454 . . . . 0.0 111.667 170.238 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.5 p -134.78 128.33 50.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 125.08 1.352 . . . . 0.0 111.007 178.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.22 166.42 11.0 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 126.712 2.005 . . . . 0.0 110.47 -179.11 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.01 149.9 32.97 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.078 0.951 . . . . 0.0 113.092 166.29 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 69.0 p -100.56 166.39 10.94 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.192 1.397 . . . . 0.0 111.947 176.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 35.1 m -63.2 -18.64 22.06 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 176.205 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 20.4 m -72.55 -6.64 45.42 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.262 1.425 . . . . 0.0 113.716 171.476 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 85.07 -1.48 88.78 Favored Glycine 0 CA--C 1.537 1.449 0 C-N-CA 125.454 1.502 . . . . 0.0 114.826 -179.243 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.72 134.8 40.42 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 118.532 1.166 . . . . 0.0 111.388 173.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -106.6 154.25 21.17 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.79 1.236 . . . . 0.0 112.07 175.24 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -143.05 118.06 10.04 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.575 1.15 . . . . 0.0 110.972 -173.115 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -104.18 138.43 40.66 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.432 1.093 . . . . 0.0 112.915 -173.335 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -134.93 119.1 17.62 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.993 1.717 . . . . 0.0 109.612 -175.177 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.5 mp -135.95 119.37 23.58 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 123.928 0.891 . . . . 0.0 110.258 -178.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -84.21 130.6 34.82 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.777 1.231 . . . . 0.0 111.758 178.098 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -108.82 152.5 24.8 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.855 1.662 . . . . 0.0 111.948 174.289 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -74.97 -37.61 61.88 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.203 1.001 . . . . 0.0 112.14 160.2 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -92.11 171.13 9.29 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 126.412 1.885 . . . . 0.0 114.433 -172.317 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -130.86 -70.66 0.6 Allowed 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.675 1.19 . . . . 0.0 112.959 177.164 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -63.96 -39.47 94.21 Favored 'General case' 0 N--CA 1.484 1.273 0 O-C-N 121.119 -0.988 . . . . 0.0 112.673 -178.455 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -71.17 -39.63 71.74 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 123.325 0.65 . . . . 0.0 111.202 178.571 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.42 -33.37 75.4 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.915 0.886 . . . . 0.0 112.497 173.522 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.1 -15.52 62.48 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 177.376 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -63.32 -28.43 70.0 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 119.755 1.161 . . . . 0.0 112.575 172.502 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -74.52 -49.35 22.37 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 121.593 -0.692 . . . . 0.0 110.891 166.377 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -60.84 -37.85 77.57 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 C-N-CA 123.746 0.818 . . . . 0.0 112.523 -171.466 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.33 -9.25 52.48 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 114.498 1.296 . . . . 0.0 114.498 175.241 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.66 -28.78 13.38 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.917 1.687 . . . . 0.0 111.728 171.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -85.96 -22.5 27.35 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 114.538 1.31 . . . . 0.0 114.538 176.388 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 42.5 p30 -63.81 174.44 1.43 Allowed 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 115.137 1.532 . . . . 0.0 115.137 -173.521 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 88.07 70.41 1.28 Allowed Glycine 0 CA--C 1.532 1.098 0 C-N-CA 124.539 1.066 . . . . 0.0 110.574 -166.033 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 26.5 p -59.28 143.68 48.53 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.333 1.053 . . . . 0.0 112.196 -178.298 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -135.78 130.47 34.11 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.851 0.861 . . . . 0.0 112.193 -164.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 40.9 p90 -151.43 177.25 10.49 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 126.316 1.847 . . . . 0.0 111.346 -166.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 47.4 tt0 55.49 76.0 0.29 Allowed 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 126.082 1.753 . . . . 0.0 113.082 178.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 93.2 -31.22 6.47 Favored Glycine 0 CA--C 1.537 1.417 0 C-N-CA 125.612 1.577 . . . . 0.0 113.288 -174.089 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 68.4 m-20 -94.47 156.04 16.66 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.677 1.191 . . . . 0.0 110.86 165.209 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.73 89.8 2.4 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 125.075 1.35 . . . . 0.0 110.407 177.614 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -159.32 73.03 0.57 Allowed 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.485 1.114 . . . . 0.0 110.648 177.678 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 45.5 ttm-85 -81.25 134.53 35.62 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 120.727 -1.233 . . . . 0.0 110.629 174.203 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 53.5 t -136.03 132.08 49.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 125.873 1.669 . . . . 0.0 108.794 177.674 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -152.12 152.32 32.18 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.445 1.098 . . . . 0.0 110.555 -176.024 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 5.2 p -141.04 105.56 6.17 Favored Pre-proline 0 CA--C 1.543 0.691 0 C-N-CA 124.567 1.147 . . . . 0.0 111.868 -169.129 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -72.5 -25.31 18.06 Favored 'Trans proline' 0 CA--C 1.541 0.834 0 C-N-CA 122.759 2.306 . . . . 0.0 112.884 175.15 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 51.2 p90 -83.6 26.43 0.68 Allowed 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 124.933 1.293 . . . . 0.0 113.89 177.44 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -54.75 -25.96 31.19 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 125.206 1.402 . . . . 0.0 113.492 -179.091 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -136.06 157.16 47.51 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.646 1.579 . . . . 0.0 110.598 162.017 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -65.98 -30.89 71.52 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.586 1.154 . . . . 0.0 112.702 178.208 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 21.2 pt-20 . . . . . 0 C--O 1.253 1.265 0 C-N-CA 126.742 2.017 . . . . 0.0 113.457 -172.337 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 101' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.41 1 O4'-C1'-N19 114.963 6.763 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 102' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.193 1 O4'-C1'-N19 112.945 4.745 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 103' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.455 0 O4'-C1'-N19 112.078 3.878 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.679 2 O4'-C1'-N19 113.557 5.357 . 0.074 4g . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 105' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.523 0 C5'-C4'-C3' 112.366 -2.089 . 0.01 5j . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 106' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.13 0 O4'-C1'-N19 111.515 3.315 . 0.01 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.191 0 CA-C-O 117.828 -1.54 . . . . 0.0 109.263 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 69.9 m -149.3 75.98 1.3 Allowed 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 119.318 1.559 . . . . 0.0 111.518 -175.384 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 18.4 p80 -51.38 139.2 20.0 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.583 1.553 . . . . 0.0 112.418 178.713 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.9 mtm -145.07 158.08 43.92 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 126.302 1.841 . . . . 0.0 109.592 -177.546 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 14.4 p -144.47 148.83 17.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 124.135 0.974 . . . . 0.0 111.208 -169.711 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -120.79 145.44 27.24 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.505 0 C-N-CA 124.815 1.246 . . . . 0.0 110.924 -169.473 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -67.1 19.2 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 127.175 2.19 . . . . 0.0 115.134 176.182 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 63.8 tt0 -155.22 145.64 22.02 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 128.433 2.693 . . . . 0.0 107.622 178.109 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.5 p -69.03 -52.19 31.24 Favored 'General case' 0 N--CA 1.475 0.816 0 O-C-N 121.087 -1.008 . . . . 0.0 113.543 -170.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.5 t 60.69 102.95 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 C-N-CA 128.141 2.576 . . . . 0.0 114.319 177.394 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 40.6 t -62.22 116.76 5.27 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.262 1.025 . . . . 0.0 112.422 178.709 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -144.02 154.47 43.29 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.989 1.316 . . . . 0.0 114.425 -173.278 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 59.8 mt -97.28 146.57 7.42 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 126.712 2.005 . . . . 0.0 109.544 163.001 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.41 ' CZ ' H5'' ' B' ' 102' ' ' ' C' . 9.4 t80 -125.76 136.33 53.04 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 126.07 1.748 . . . . 0.0 111.87 168.367 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 56.6 t -131.58 119.32 42.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 124.618 1.167 . . . . 0.0 109.58 168.296 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -106.8 147.17 16.17 Favored Glycine 0 CA--C 1.527 0.795 0 C-N-CA 125.406 1.479 . . . . 0.0 113.559 -179.535 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 15.7 m120 55.54 39.99 31.08 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.313 1.045 . . . . 0.0 112.537 -179.315 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.7 112.81 6.21 Favored Pre-proline 0 CA--C 1.554 1.117 0 C-N-CA 125.104 1.362 . . . . 0.0 113.133 -172.264 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -68.02 158.43 57.44 Favored 'Trans proline' 0 C--N 1.351 0.694 0 C-N-CA 122.646 2.23 . . . . 0.0 111.622 177.13 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 66.4 m 58.44 11.49 1.69 Allowed 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 125.889 1.676 . . . . 0.0 114.931 -174.03 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 43.96 47.83 7.16 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 126.334 1.854 . . . . 0.0 112.842 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 16.2 m -55.96 121.22 3.61 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 CA-C-O 122.027 0.918 . . . . 0.0 112.608 -171.517 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 m -65.9 145.07 56.36 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 124.993 1.317 . . . . 0.0 111.905 -175.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 88.7 p -53.54 -52.9 58.19 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.391 0.676 . . . . 0.0 112.355 -177.438 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.68 -34.43 72.85 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 124.962 1.305 . . . . 0.0 113.747 -176.334 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.4 -46.77 69.09 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 123.433 0.693 . . . . 0.0 111.418 -177.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.3 t -77.21 -34.23 21.08 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 122.555 0.342 . . . . 0.0 111.027 177.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 66.7 tt0 -52.68 -40.1 62.57 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 125.833 1.653 . . . . 0.0 112.53 173.463 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -66.55 -32.97 74.65 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 112.932 0.716 . . . . 0.0 112.932 177.654 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -83.4 -36.4 24.32 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.69 1.196 . . . . 0.0 112.476 177.138 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -53.84 -24.97 17.42 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.408 1.083 . . . . 0.0 112.821 177.36 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 58.7 mtp180 -52.26 -30.02 25.81 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 114.288 1.218 . . . . 0.0 114.288 178.281 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.11 -18.88 52.47 Favored 'General case' 0 N--CA 1.491 1.576 0 CA-C-N 120.497 1.499 . . . . 0.0 113.437 174.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -94.22 -16.31 23.76 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.587 1.955 . . . . 0.0 112.643 177.687 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 156.1 174.02 25.39 Favored Glycine 0 CA--C 1.534 1.222 0 C-N-CA 124.785 1.183 . . . . 0.0 112.694 177.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 73.3 m-80 -83.83 137.03 33.89 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 121.642 -0.917 . . . . 0.0 112.404 175.311 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -102.87 133.0 47.83 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 C-N-CA 127.103 2.161 . . . . 0.0 110.401 179.343 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 46.7 mt -92.96 -46.21 7.59 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.702 0.801 . . . . 0.0 111.597 176.214 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.41 170.8 19.37 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 126.152 1.781 . . . . 0.0 111.588 164.178 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 15.4 p -153.15 155.08 36.05 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.592 1.157 . . . . 0.0 111.76 174.593 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -156.05 177.79 11.02 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 126.014 1.726 . . . . 0.0 110.71 172.325 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 45.4 t -124.49 117.64 51.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 124.812 1.245 . . . . 0.0 110.765 176.611 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 41.9 mtpt -78.89 160.27 27.37 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.768 1.227 . . . . 0.0 111.083 168.379 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.03 157.9 42.94 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.325 1.05 . . . . 0.0 110.726 162.339 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 12.3 t -141.78 154.55 45.31 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.361 1.065 . . . . 0.0 111.371 -179.101 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.8 p -58.31 -29.12 37.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 N-CA-C 114.808 1.411 . . . . 0.0 114.808 -159.422 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.1 t -77.68 40.07 0.29 Allowed 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 125.613 1.565 . . . . 0.0 113.923 178.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 61.89 32.2 81.1 Favored Glycine 0 CA--C 1.536 1.366 0 O-C-N 120.927 -1.108 . . . . 0.0 114.72 175.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -129.81 157.47 42.14 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 118.641 1.22 . . . . 0.0 113.33 -169.501 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -140.49 150.73 44.13 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.989 1.315 . . . . 0.0 112.134 -177.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -133.98 120.77 20.71 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 125.8 1.64 . . . . 0.0 110.39 -176.449 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -89.6 139.25 30.73 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 118.858 0.754 . . . . 0.0 110.242 168.517 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -131.91 148.34 52.53 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 124.238 1.015 . . . . 0.0 111.017 176.642 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.5 mp -141.33 122.99 13.81 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 125.291 1.436 . . . . 0.0 109.4 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -78.61 124.29 28.01 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.736 1.214 . . . . 0.0 109.611 169.666 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -143.89 137.27 27.75 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 113.984 1.105 . . . . 0.0 113.984 -156.128 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -84.04 -52.4 6.33 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 115.789 1.774 . . . . 0.0 115.789 -162.29 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -110.66 80.92 1.36 Allowed 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.695 0.798 . . . . 0.0 112.446 -165.439 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -49.39 -34.92 17.47 Favored 'General case' 0 CA--C 1.55 0.945 0 N-CA-C 114.936 1.458 . . . . 0.0 114.936 -174.455 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -91.66 -13.23 32.14 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 116.086 1.884 . . . . 0.0 116.086 179.295 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -70.23 -46.7 63.94 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-O 122.619 1.199 . . . . 0.0 108.655 154.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -71.85 -7.8 50.56 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 126.11 1.764 . . . . 0.0 114.611 -171.609 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -53.43 -32.4 49.66 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.929 0.892 . . . . 0.0 111.733 167.107 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -53.89 -42.18 68.4 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.891 0.877 . . . . 0.0 113.02 170.435 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.22 -12.86 62.04 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.19 0.996 . . . . 0.0 113.372 -174.534 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -106.13 -42.17 6.52 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 C-N-CA 123.654 0.782 . . . . 0.0 111.176 168.198 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.8 -14.6 62.03 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 114.94 1.459 . . . . 0.0 114.94 -168.43 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -105.26 2.75 29.31 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 167.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -126.27 -8.06 6.43 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 125.749 1.62 . . . . 0.0 114.234 -172.429 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -70.3 175.43 4.66 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.887 1.275 . . . . 0.0 112.275 174.514 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 93.69 50.19 2.38 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.628 -0.989 . . . . 0.0 110.628 -170.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 26.8 p -58.78 149.34 26.76 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 122.501 1.143 . . . . 0.0 113.206 -169.45 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -123.08 129.06 50.98 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 126.479 1.912 . . . . 0.0 109.918 -165.433 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -156.81 170.28 22.83 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.319 1.448 . . . . 0.0 109.752 -174.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 63.97 20.39 12.18 Favored 'General case' 0 N--CA 1.482 1.13 0 N-CA-C 114.733 1.383 . . . . 0.0 114.733 177.296 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 178.7 -80.52 0.06 OUTLIER Glycine 0 CA--C 1.523 0.531 0 N-CA-C 107.892 -2.083 . . . . 0.0 107.892 178.194 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -64.52 169.48 4.8 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 123.335 0.654 . . . . 0.0 111.958 158.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.67 120.76 18.82 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 127.159 2.184 . . . . 0.0 110.247 164.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 57.9 tp -167.75 122.27 0.98 Allowed 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 126.722 2.009 . . . . 0.0 109.942 164.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 11.4 ttp180 -136.77 140.7 42.74 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.36 1.064 . . . . 0.0 110.815 177.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 39.3 t -144.67 141.02 23.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 125.053 1.341 . . . . 0.0 109.305 -173.168 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -146.2 145.49 30.46 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.831 0.852 . . . . 0.0 109.309 160.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 31.5 m -105.38 87.84 2.31 Favored Pre-proline 0 N--CA 1.469 0.484 0 O-C-N 121.636 -0.665 . . . . 0.0 109.265 167.48 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -61.99 -4.9 5.42 Favored 'Trans proline' 0 CA--C 1.542 0.908 0 C-N-CA 122.801 2.334 . . . . 0.0 115.332 -173.106 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -75.74 8.56 2.91 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 115.179 1.548 . . . . 0.0 115.179 166.035 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 18.3 p-10 -67.54 59.49 0.06 Allowed 'General case' 0 CA--C 1.553 1.074 0 N-CA-C 117.476 2.399 . . . . 0.0 117.476 -164.543 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -129.98 -149.53 0.4 Allowed 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 128.666 2.786 . . . . 0.0 107.04 156.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 67.87 -35.78 0.28 Allowed 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 127.131 2.172 . . . . 0.0 115.117 179.348 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 . . . . . 0 C--O 1.253 1.25 0 C-N-CA 126.318 1.847 . . . . 0.0 113.613 172.082 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 101' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.427 1 O4'-C1'-N19 115.421 7.221 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 102' ' ' ' C' . . . . . 0.41 H5'' ' CZ ' ' A' ' 11' ' ' TYR . . . . . . . . 0 P--O3' 1.571 -2.997 2 C4'-C3'-C2' 97.489 -5.211 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 103' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.328 5 O4'-C1'-N19 114.741 6.541 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.405 0 N19-C1'-C2' 118.299 3.062 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 105' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.977 0 C5'-C4'-C3' 109.782 -3.812 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 106' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.212 0 C5'-C4'-O4' 112.904 2.646 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.71 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 77.9 p -77.94 25.94 0.2 Allowed 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 126.42 1.888 . . . . 0.0 115.138 -174.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -64.96 -41.47 95.43 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.529 1.132 . . . . 0.0 113.773 -172.342 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.2 mmm 52.49 26.23 4.1 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 126.277 1.831 . . . . 0.0 115.281 174.731 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 13.3 p -71.16 137.63 23.39 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 124.464 1.106 . . . . 0.0 112.631 -174.122 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.6 pp -138.55 150.36 24.05 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 126.757 2.023 . . . . 0.0 110.147 173.419 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 3.6 tpt180 56.14 -170.49 0.08 Allowed 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 125.763 1.625 . . . . 0.0 112.6 -172.64 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 58.77 22.55 10.18 Favored 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 115.62 1.711 . . . . 0.0 115.62 174.528 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.7 m -141.17 164.9 29.01 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 126.657 1.983 . . . . 0.0 111.386 -178.561 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.6 p -135.05 132.91 53.43 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 124.889 1.276 . . . . 0.0 111.848 -177.617 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 20.8 m -83.2 73.86 10.06 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.716 1.206 . . . . 0.0 112.516 -172.293 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 71.0 mtt180 -79.3 122.13 25.96 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.573 1.149 . . . . 0.0 110.932 172.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 45.6 mt -81.87 155.82 4.07 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 125.014 1.326 . . . . 0.0 110.265 170.41 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -140.66 142.04 34.99 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.062 1.345 . . . . 0.0 111.681 166.152 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 47.3 t -140.23 134.52 35.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.825 0 C-N-CA 126.171 1.788 . . . . 0.0 108.532 167.457 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -130.31 143.64 14.93 Favored Glycine 0 CA--C 1.532 1.113 0 C-N-CA 124.312 0.958 . . . . 0.0 114.951 -173.475 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.4 t30 54.68 41.07 32.19 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 125.257 1.423 . . . . 0.0 111.935 -169.725 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.61 154.92 92.44 Favored Pre-proline 0 CA--C 1.551 1.015 0 C-N-CA 125.273 1.429 . . . . 0.0 112.708 175.798 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -68.41 121.17 8.1 Favored 'Trans proline' 0 CA--C 1.54 0.789 0 C-N-CA 123.07 2.514 . . . . 0.0 111.986 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.4 t 60.89 166.65 0.09 Allowed 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 126.758 2.023 . . . . 0.0 115.071 -175.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 22.2 t-160 -77.66 88.31 3.94 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 120.647 -1.283 . . . . 0.0 109.898 171.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 27.2 m -62.68 150.12 9.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 125.136 1.374 . . . . 0.0 113.0 -178.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 71.1 m -89.9 138.84 31.16 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.837 0.855 . . . . 0.0 111.037 170.569 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.6 m -55.51 -35.73 65.93 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.445 1.098 . . . . 0.0 113.516 -175.171 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.42 ' H ' ' HD2' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -71.9 -34.62 69.27 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 125.423 1.489 . . . . 0.0 112.883 178.612 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -72.67 -37.73 67.82 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.518 0.727 . . . . 0.0 111.287 175.464 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 47.7 t -63.59 -46.16 95.66 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 CA-C-O 119.125 -0.464 . . . . 0.0 110.465 171.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -53.39 -49.2 67.74 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.621 0.769 . . . . 0.0 111.68 173.746 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -61.89 -37.43 84.55 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 113.059 0.763 . . . . 0.0 113.059 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 63.6 tt0 -73.58 -41.46 62.85 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 118.906 0.775 . . . . 0.0 112.905 175.491 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -77.64 -30.02 51.96 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 113.909 1.078 . . . . 0.0 113.909 -172.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.0 ppt_? -68.28 0.3 3.96 Favored 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 117.607 2.447 . . . . 0.0 117.607 -166.113 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.434 ' HE3' ' CE2' ' A' ' 31' ' ' TYR . 0.9 OUTLIER -61.33 -27.23 68.34 Favored 'General case' 0 N--CA 1.481 1.101 0 N-CA-C 114.384 1.253 . . . . 0.0 114.384 -178.577 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.434 ' CE2' ' HE3' ' A' ' 30' ' ' LYS . 71.7 m-85 -91.96 -29.53 16.59 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 114.003 1.112 . . . . 0.0 114.003 177.38 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -179.13 171.35 43.33 Favored Glycine 0 CA--C 1.536 1.377 0 C-N-CA 124.93 1.252 . . . . 0.0 112.84 -175.568 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -85.72 142.86 28.7 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 113.589 0.959 . . . . 0.0 113.589 -176.004 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -88.42 144.88 8.23 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 C-N-CA 126.489 1.916 . . . . 0.0 111.034 166.707 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -97.67 -39.78 8.91 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.503 1.521 . . . . 0.0 112.861 172.703 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.18 134.38 13.26 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 125.478 1.511 . . . . 0.0 110.341 -168.785 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 24.3 p -142.82 152.93 42.72 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 119.709 1.141 . . . . 0.0 113.249 179.461 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -151.9 153.0 33.29 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 126.345 1.858 . . . . 0.0 110.655 -174.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 59.5 t -133.96 139.49 48.34 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 C-N-CA 124.974 1.309 . . . . 0.0 110.094 -178.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 61.4 mmtt -137.47 170.28 16.35 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 126.498 1.919 . . . . 0.0 111.875 -167.328 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.7 161.93 40.19 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 125.165 1.386 . . . . 0.0 112.821 176.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.9 t -114.09 158.33 21.39 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.283 1.433 . . . . 0.0 111.64 172.587 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 35.6 m -61.51 -19.78 21.52 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 C-N-CA 124.786 1.234 . . . . 0.0 113.211 174.165 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 24.7 m -72.23 -4.02 26.97 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.785 1.234 . . . . 0.0 114.048 170.683 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 91.23 -9.3 77.89 Favored Glycine 0 CA--C 1.538 1.504 0 C-N-CA 125.822 1.677 . . . . 0.0 115.608 174.494 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.83 154.97 40.38 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 118.731 1.265 . . . . 0.0 112.331 172.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -123.64 156.86 35.07 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.217 1.407 . . . . 0.0 112.238 178.005 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -139.28 144.4 38.34 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 125.883 1.673 . . . . 0.0 110.908 -171.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -127.0 143.97 51.15 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 118.967 0.803 . . . . 0.0 112.042 173.365 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 -137.13 131.23 32.32 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.229 1.412 . . . . 0.0 110.864 -175.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.8 mp -143.08 122.04 8.13 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 124.235 1.014 . . . . 0.0 109.699 -163.611 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -93.29 109.52 21.06 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.054 0.942 . . . . 0.0 111.488 -175.378 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -91.6 155.86 18.05 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 113.584 0.957 . . . . 0.0 113.584 179.65 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -73.91 -20.25 60.45 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 113.82 1.044 . . . . 0.0 113.82 174.433 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -153.2 140.13 19.17 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 125.643 1.577 . . . . 0.0 112.993 -178.574 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.76 -45.56 24.29 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 113.664 0.987 . . . . 0.0 113.664 -172.522 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 -63.42 -26.75 68.88 Favored 'General case' 0 N--CA 1.482 1.166 0 N-CA-C 113.641 0.978 . . . . 0.0 113.641 -172.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -74.31 -51.51 14.99 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.565 1.546 . . . . 0.0 111.61 179.242 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.62 -17.71 61.65 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 113.874 1.064 . . . . 0.0 113.874 173.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.55 -27.77 68.86 Favored 'General case' 0 CA--C 1.549 0.917 0 O-C-N 120.784 -1.197 . . . . 0.0 112.346 170.023 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -71.85 -23.07 61.47 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 121.265 -0.897 . . . . 0.0 113.374 170.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -77.83 -41.99 35.2 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.836 0.854 . . . . 0.0 112.852 177.606 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -66.36 -39.58 84.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 O-C-N 121.057 -1.027 . . . . 0.0 111.243 178.804 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.51 -24.53 64.68 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 114.663 1.357 . . . . 0.0 114.663 -178.596 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -83.51 -20.04 34.65 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-N 119.72 1.146 . . . . 0.0 113.218 171.602 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -92.03 -1.84 57.02 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 125.875 1.67 . . . . 0.0 113.582 173.66 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 18.6 p-10 -64.46 169.47 4.75 Favored 'General case' 0 CA--C 1.55 0.976 0 N-CA-C 116.256 1.946 . . . . 0.0 116.256 -162.26 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 95.25 87.06 1.72 Allowed Glycine 0 CA--C 1.531 1.092 0 C-N-CA 125.432 1.491 . . . . 0.0 112.412 -178.387 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 26.4 p -69.6 151.14 46.3 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 123.66 0.784 . . . . 0.0 111.568 168.316 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 83.1 m-20 -125.76 144.52 50.6 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.169 1.387 . . . . 0.0 112.271 -179.104 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 9.8 p90 -156.79 166.95 31.92 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 126.727 2.011 . . . . 0.0 111.23 -175.327 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 58.37 22.99 10.04 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 126.007 1.723 . . . . 0.0 115.252 179.305 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 173.37 -74.06 0.09 OUTLIER Glycine 0 CA--C 1.529 0.956 0 C-N-CA 125.182 1.372 . . . . 0.0 111.261 175.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 32.7 m-20 -71.07 171.92 10.06 Favored 'General case' 0 CA--C 1.552 1.057 0 C-N-CA 124.355 1.062 . . . . 0.0 111.509 163.458 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.4 tpmt? -145.87 118.93 8.8 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.119 1.368 . . . . 0.0 111.834 178.58 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.5 mt -166.11 147.18 6.65 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 126.163 1.785 . . . . 0.0 109.953 176.601 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 30.6 ttm-85 -143.21 137.43 28.97 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-O 121.778 0.799 . . . . 0.0 113.133 169.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -145.56 115.36 1.64 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 C-N-CA 127.049 2.139 . . . . 0.0 108.662 -175.466 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 62.1 tt0 -167.11 129.31 1.69 Allowed 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.631 1.572 . . . . 0.0 108.195 -162.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -117.85 105.06 48.14 Favored Pre-proline 0 N--CA 1.477 0.915 0 CA-C-N 119.964 1.256 . . . . 0.0 111.37 -172.012 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_endo -77.04 45.7 1.76 Allowed 'Trans proline' 0 CA--C 1.551 1.338 0 C-N-CA 124.032 3.155 . . . . 0.0 114.488 -173.473 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 21.4 m-30 -72.66 -26.95 61.83 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.789 1.236 . . . . 0.0 113.467 172.324 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 65.7 t30 54.27 34.25 20.04 Favored 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 125.479 1.511 . . . . 0.0 113.577 -176.244 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -148.62 -38.72 0.17 Allowed 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 115.194 1.553 . . . . 0.0 115.194 -172.571 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 34.6 mmt180 -129.51 7.88 5.36 Favored 'General case' 0 N--CA 1.484 1.251 0 N-CA-C 115.525 1.676 . . . . 0.0 115.525 -169.327 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 . . . . . 0 C--O 1.253 1.259 0 CA-C-O 118.173 -0.918 . . . . 0.0 112.7 165.123 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 101' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.63 0 C4'-C3'-C2' 99.429 -3.271 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 102' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.289 1 O4'-C1'-N19 112.962 4.762 . 0.073 1z . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 103' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.324 3 O4'-C1'-N19 116.501 8.301 . 0.028 4a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.626 3.306 3 O4'-C1'-N19 116.465 8.265 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 105' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.261 2 P-O3'-C3' 124.854 4.295 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 106' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.655 0 C3'-C2'-C1' 104.884 3.76 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.647 0 N-CA-C 111.883 -0.487 . . . . 0.0 111.883 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 87.9 p -152.7 153.66 33.71 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.666 1.186 . . . . 0.0 112.33 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 54.7 m80 -131.65 4.38 4.24 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.947 1.299 . . . . 0.0 114.258 -169.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.5 ttp -79.82 159.12 26.61 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.0 0.92 . . . . 0.0 111.334 173.045 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 6.3 t -78.41 62.22 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 C-N-CA 124.891 1.277 . . . . 0.0 111.71 -175.578 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 29.4 mm -135.03 117.72 22.77 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 126.692 1.997 . . . . 0.0 108.803 178.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.0 tpm_? -65.34 -38.37 89.91 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.204 1.002 . . . . 0.0 113.607 -171.034 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -93.83 11.78 28.15 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.174 1.39 . . . . 0.0 114.303 -176.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.0 t 62.13 174.97 0.13 Allowed 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 125.904 1.681 . . . . 0.0 113.714 -166.561 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 13.1 p -138.75 137.44 42.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 124.543 1.137 . . . . 0.0 113.234 -158.416 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 39.2 t -81.89 131.86 35.26 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 124.294 1.038 . . . . 0.0 111.473 172.155 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.9 ptt180 -157.65 136.06 11.15 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 125.134 1.374 . . . . 0.0 112.046 179.04 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 79.5 mt -79.39 144.02 11.59 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 C-N-CA 124.989 1.315 . . . . 0.0 109.507 175.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -121.4 134.02 55.1 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.495 1.518 . . . . 0.0 111.09 170.751 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 22.9 m -133.03 141.8 43.86 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 C-N-CA 124.381 1.073 . . . . 0.0 109.691 163.098 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -137.26 171.31 23.2 Favored Glycine 0 CA--C 1.525 0.669 0 C-N-CA 125.398 1.475 . . . . 0.0 112.658 -173.297 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 45.6 m-20 51.61 27.04 3.67 Favored 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 124.29 1.036 . . . . 0.0 112.329 -176.388 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.7 pp -76.19 153.0 84.29 Favored Pre-proline 0 CA--C 1.549 0.909 0 C-N-CA 124.757 1.223 . . . . 0.0 112.513 -162.404 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -65.28 117.61 4.73 Favored 'Trans proline' 0 CA--C 1.54 0.785 0 C-N-CA 123.298 2.665 . . . . 0.0 111.659 -176.023 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.2 m 50.08 -117.81 1.08 Allowed 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.367 1.467 . . . . 0.0 111.84 -174.488 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 44.9 p-80 -152.66 140.33 19.87 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.812 1.245 . . . . 0.0 111.198 173.61 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 17.4 m -92.07 146.75 5.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 125.214 1.405 . . . . 0.0 110.461 170.654 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 52.3 p -79.67 167.31 20.84 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 121.506 -0.746 . . . . 0.0 111.459 167.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.0 m -56.52 -30.53 63.15 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.038 0.935 . . . . 0.0 112.703 172.242 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.44 -44.42 44.41 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.676 1.191 . . . . 0.0 111.823 178.19 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -64.48 -47.06 80.38 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 123.553 0.741 . . . . 0.0 111.894 177.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 4.7 p -68.69 -36.02 72.56 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 122.86 0.464 . . . . 0.0 111.968 -178.284 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 51.8 tt0 -62.96 -50.61 70.1 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 121.283 -0.886 . . . . 0.0 111.771 172.26 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -65.72 -29.14 69.62 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -179.505 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -73.93 -53.68 9.58 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.8 0.84 . . . . 0.0 112.377 172.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -74.55 -16.02 60.84 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 114.873 1.434 . . . . 0.0 114.873 -173.753 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.87 -27.69 53.0 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-N 120.276 1.398 . . . . 0.0 114.382 177.556 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.74 -23.88 56.06 Favored 'General case' 0 N--CA 1.481 1.119 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 176.347 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -77.4 -35.74 54.02 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.012 1.325 . . . . 0.0 110.657 176.351 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 163.31 -168.21 37.91 Favored Glycine 0 CA--C 1.532 1.105 0 C-N-CA 125.226 1.393 . . . . 0.0 112.92 175.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -73.74 102.4 3.97 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 123.469 0.707 . . . . 0.0 111.632 -178.698 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -73.09 133.19 32.23 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.542 0 C-N-CA 126.278 1.831 . . . . 0.0 110.45 164.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -98.02 -42.2 7.61 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.205 1.002 . . . . 0.0 112.558 173.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -157.46 150.68 23.6 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 126.295 1.838 . . . . 0.0 110.123 -173.639 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.9 p -142.96 150.38 39.61 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.669 1.187 . . . . 0.0 112.113 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -158.18 157.2 32.23 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.861 1.264 . . . . 0.0 111.643 174.136 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.4 t -128.04 132.5 68.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 125.126 1.37 . . . . 0.0 110.174 178.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.9 174.46 9.72 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 126.017 1.727 . . . . 0.0 111.148 -177.383 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.07 148.66 37.04 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.926 1.291 . . . . 0.0 113.121 177.737 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.5 t -85.74 158.63 19.98 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.383 1.073 . . . . 0.0 111.359 170.292 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 10.1 p -58.08 -23.84 22.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 C-N-CA 124.899 1.28 . . . . 0.0 112.562 168.414 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.9 t -70.92 -10.74 60.23 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 124.613 1.165 . . . . 0.0 113.834 172.13 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 97.21 -10.2 65.42 Favored Glycine 0 CA--C 1.539 1.565 0 C-N-CA 126.024 1.773 . . . . 0.0 116.168 172.692 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.09 148.08 47.83 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 119.166 1.483 . . . . 0.0 112.304 173.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -110.06 150.34 28.7 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.039 1.336 . . . . 0.0 112.465 178.707 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -140.09 129.42 23.94 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 125.439 1.496 . . . . 0.0 111.02 -175.699 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -108.42 138.08 45.32 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.354 1.062 . . . . 0.0 110.854 174.012 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -129.78 136.28 49.42 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 125.004 1.321 . . . . 0.0 110.695 -179.403 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.5 mp -136.67 109.14 7.62 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 C-N-CA 123.935 0.894 . . . . 0.0 110.04 -169.333 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -67.92 133.03 48.43 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.695 1.198 . . . . 0.0 111.003 177.776 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -133.83 145.3 49.59 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 124.331 1.052 . . . . 0.0 113.62 -166.163 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -87.2 -41.34 13.8 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 113.574 0.953 . . . . 0.0 113.574 -177.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -123.61 85.52 2.43 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.06 1.344 . . . . 0.0 112.269 -167.263 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.4 ' HB1' ' CD1' ' A' ' 82' ' ' PHE . . . -58.57 -42.06 87.12 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 114.387 1.254 . . . . 0.0 114.387 -174.216 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.38 -41.56 80.38 Favored 'General case' 0 N--CA 1.481 1.099 0 O-C-N 121.088 -1.007 . . . . 0.0 112.151 178.397 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -66.56 -40.83 89.22 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.38 0.672 . . . . 0.0 110.819 178.599 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.52 -43.95 97.56 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.178 0.991 . . . . 0.0 112.677 173.371 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.38 -40.71 75.02 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 113.368 0.877 . . . . 0.0 113.368 -175.63 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -64.74 -26.73 68.49 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 113.65 0.982 . . . . 0.0 113.65 177.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -90.77 -32.82 15.97 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.556 1.143 . . . . 0.0 113.034 172.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -70.81 -34.73 57.37 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 O-C-N 120.855 -1.153 . . . . 0.0 111.642 -179.627 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.63 -22.22 66.11 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 114.419 1.266 . . . . 0.0 114.419 -174.038 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.94 -14.75 62.48 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 119.723 1.147 . . . . 0.0 113.244 171.375 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 10.7 mmpt? -91.64 2.27 56.58 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 125.246 1.419 . . . . 0.0 113.547 171.059 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -67.92 170.86 7.48 Favored 'General case' 0 CA--C 1.55 0.98 0 N-CA-C 114.426 1.269 . . . . 0.0 114.426 -173.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 79.2 85.92 0.55 Allowed Glycine 0 CA--C 1.532 1.098 0 C-N-CA 124.593 1.092 . . . . 0.0 112.115 -176.356 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 29.5 p -64.66 157.37 27.4 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 123.953 0.901 . . . . 0.0 112.537 176.205 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -146.83 146.62 30.29 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.642 1.177 . . . . 0.0 112.488 -173.406 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -152.32 178.71 9.24 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 125.499 1.52 . . . . 0.0 111.376 -165.314 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 55.65 64.99 1.58 Allowed 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 125.404 1.482 . . . . 0.0 113.574 170.555 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 101.73 -13.97 57.72 Favored Glycine 0 CA--C 1.536 1.405 0 C-N-CA 125.418 1.485 . . . . 0.0 113.991 -173.636 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -120.98 164.5 16.64 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.648 1.979 . . . . 0.0 109.635 163.745 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.29 95.66 2.19 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.455 0.702 . . . . 0.0 111.142 -172.377 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.8 mt -166.92 137.77 3.19 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.924 1.69 . . . . 0.0 110.607 172.175 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 23.9 ttm180 -142.2 138.54 31.56 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.995 1.318 . . . . 0.0 111.028 173.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 98.2 t -143.89 125.1 10.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 125.168 1.387 . . . . 0.0 109.287 -173.511 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -157.56 131.41 8.07 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.991 0.917 . . . . 0.0 110.854 174.59 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.4 m -96.4 109.14 46.22 Favored Pre-proline 0 N--CA 1.473 0.707 0 O-C-N 121.468 -0.77 . . . . 0.0 110.614 174.004 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -65.54 -22.41 58.67 Favored 'Trans proline' 0 CA--C 1.541 0.856 0 C-N-CA 122.645 2.23 . . . . 0.0 113.317 -176.113 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.4 ' CD1' ' HB1' ' A' ' 56' ' ' ALA . 29.7 p90 -74.96 -21.38 59.2 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.449 1.1 . . . . 0.0 113.858 171.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 3.5 m120 58.55 -69.87 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 127.832 2.453 . . . . 0.0 114.248 -169.095 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -160.73 166.6 28.46 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 126.864 2.066 . . . . 0.0 111.12 176.064 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.2 tpm_? -78.26 51.15 0.98 Allowed 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 124.723 1.209 . . . . 0.0 112.624 175.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 . . . . . 0 C--O 1.25 1.131 0 C-N-CA 126.33 1.852 . . . . 0.0 112.884 -173.625 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 101' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.341 1 O4'-C1'-N19 114.04 5.84 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 102' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.049 0 N19-C1'-C2' 119.141 3.588 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 103' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.687 0 O4'-C1'-N19 111.474 3.274 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.617 2.383 0 O4'-C1'-N19 111.802 3.602 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 105' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.892 0 O5'-C5'-C4' 115.772 3.98 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 106' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.447 0 C1'-O4'-C4' 107.471 -2.366 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.621 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 20.2 m -66.49 -39.99 89.04 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 113.971 1.101 . . . . 0.0 113.971 -173.19 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 61.4 t60 52.32 48.17 23.21 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 125.926 1.69 . . . . 0.0 114.009 178.636 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.9 mtt -114.64 159.57 20.33 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.699 1.6 . . . . 0.0 112.813 -179.229 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 76.7 t -127.46 136.19 61.23 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 126.439 1.895 . . . . 0.0 109.971 -177.06 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . 0.265 24.6 mt 55.6 52.86 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 C-N-CA 125.915 1.686 . . . . 0.0 110.844 -175.011 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -153.17 137.87 16.96 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 126.143 1.777 . . . . 0.0 110.526 172.519 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -75.77 135.54 40.3 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.481 1.112 . . . . 0.0 111.992 177.095 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.7 m -69.37 126.82 30.94 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.859 0.864 . . . . 0.0 112.009 178.167 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 85.0 t -95.04 118.06 40.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 124.571 1.148 . . . . 0.0 111.093 -176.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 43.7 t -79.88 139.24 37.21 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.25 0.62 . . . . 0.0 111.676 171.583 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.15 142.74 19.72 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.43 1.092 . . . . 0.0 113.411 174.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.9 mp -78.61 148.99 5.81 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 124.993 1.317 . . . . 0.0 109.549 170.282 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -122.08 142.62 50.17 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.835 1.654 . . . . 0.0 111.33 167.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 47.3 t -135.95 127.71 44.82 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 125.019 1.328 . . . . 0.0 108.684 168.442 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -115.47 155.99 15.94 Favored Glycine 0 CA--C 1.527 0.8 0 C-N-CA 124.828 1.204 . . . . 0.0 114.38 -174.117 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.9 m120 52.42 41.38 30.73 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.6 1.16 . . . . 0.0 111.509 -174.317 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 25.7 tp -58.71 122.01 58.12 Favored Pre-proline 0 CA--C 1.548 0.885 0 C-N-CA 126.963 2.105 . . . . 0.0 112.822 -165.594 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_endo -77.55 163.7 29.21 Favored 'Trans proline' 0 CA--C 1.541 0.839 0 C-N-CA 123.475 2.784 . . . . 0.0 111.912 167.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.3 t 64.79 -24.77 0.08 Allowed 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 117.162 2.282 . . . . 0.0 117.162 175.316 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 27.6 m170 56.92 55.67 5.97 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 126.327 1.851 . . . . 0.0 112.884 176.403 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 6.0 m -52.7 131.09 14.42 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 125.137 1.375 . . . . 0.0 113.053 -179.618 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 59.9 m -72.86 166.81 22.24 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.506 1.122 . . . . 0.0 112.027 175.078 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 88.4 p -55.17 -37.76 67.43 Favored 'General case' 0 N--CA 1.477 0.899 0 O-C-N 121.29 -0.881 . . . . 0.0 112.984 178.035 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -64.69 -34.72 78.98 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.959 1.303 . . . . 0.0 113.259 175.684 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 -80.77 -47.18 14.28 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.534 1.134 . . . . 0.0 112.041 -179.654 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 4.2 p -68.59 -28.65 41.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 C-N-CA 123.486 0.714 . . . . 0.0 112.042 -177.533 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -56.89 -60.99 2.75 Favored 'General case' 0 N--CA 1.47 0.55 0 O-C-N 121.464 -0.772 . . . . 0.0 111.254 167.097 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.3 m-20 -63.69 -28.6 70.01 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.494 0.718 . . . . 0.0 112.718 -176.091 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -66.04 -52.36 49.84 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 123.491 0.717 . . . . 0.0 112.115 169.688 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -81.28 -18.64 45.21 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 115.862 1.801 . . . . 0.0 115.862 -172.298 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 19.5 mtp180 -56.56 -26.69 55.8 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-N 121.469 1.94 . . . . 0.0 114.199 178.669 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.25 -28.0 61.02 Favored 'General case' 0 N--CA 1.482 1.154 0 CA-C-N 119.302 0.956 . . . . 0.0 113.492 174.436 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -74.23 -36.67 63.93 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.863 1.265 . . . . 0.0 110.684 174.716 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 164.68 177.94 37.67 Favored Glycine 0 CA--C 1.534 1.247 0 C-N-CA 125.978 1.752 . . . . 0.0 111.863 177.165 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -78.29 116.7 18.91 Favored 'General case' 0 CA--C 1.547 0.833 0 O-C-N 121.447 -1.031 . . . . 0.0 112.282 -175.269 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -80.77 138.22 20.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 126.739 2.016 . . . . 0.0 111.561 176.647 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -96.65 -43.72 7.44 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.563 1.145 . . . . 0.0 112.587 172.54 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -155.15 147.32 23.73 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 126.158 1.783 . . . . 0.0 110.388 -178.129 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 29.5 p -145.59 148.93 33.67 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.937 0.895 . . . . 0.0 112.092 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -160.33 162.06 33.38 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.487 1.115 . . . . 0.0 111.741 173.711 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 60.5 t -124.87 129.15 73.56 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 C-N-CA 125.182 1.393 . . . . 0.0 109.865 178.537 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.85 169.53 8.77 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.894 1.677 . . . . 0.0 111.141 178.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.12 148.93 37.41 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.519 1.128 . . . . 0.0 112.783 173.207 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.9 t -89.58 158.43 17.64 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 124.568 1.147 . . . . 0.0 111.239 171.795 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 34.9 m -60.69 -19.31 18.89 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 C-N-CA 124.615 1.166 . . . . 0.0 112.959 169.633 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 13.2 t -72.18 -11.68 60.84 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 124.628 1.171 . . . . 0.0 113.377 170.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 98.19 -10.5 63.61 Favored Glycine 0 CA--C 1.539 1.548 0 C-N-CA 126.043 1.783 . . . . 0.0 115.834 173.51 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.76 150.47 44.4 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 119.0 1.4 . . . . 0.0 112.329 173.355 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -115.91 156.17 26.66 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.313 1.445 . . . . 0.0 112.569 178.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -143.5 124.06 14.03 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.901 1.28 . . . . 0.0 111.302 -174.283 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -95.13 142.5 27.5 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.675 0.79 . . . . 0.0 111.773 173.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -133.96 132.59 40.35 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.903 1.281 . . . . 0.0 110.304 174.115 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.7 mp -136.68 107.46 5.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 124.136 0.974 . . . . 0.0 110.264 -170.15 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 51.1 tt0 -74.91 132.69 41.64 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.795 1.638 . . . . 0.0 112.235 -177.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -134.84 155.52 50.52 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.695 1.598 . . . . 0.0 113.105 -165.17 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -94.27 -31.51 14.05 Favored 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 114.664 1.357 . . . . 0.0 114.664 179.038 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -126.85 103.96 7.78 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 125.091 1.356 . . . . 0.0 112.465 -176.215 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.87 -54.22 38.27 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.823 1.249 . . . . 0.0 113.577 -178.447 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -70.75 -24.78 62.68 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 114.067 1.136 . . . . 0.0 114.067 -174.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -70.32 -45.84 65.42 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.533 0.733 . . . . 0.0 111.035 170.665 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.7 -35.18 80.02 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.76 0.824 . . . . 0.0 113.132 176.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.37 -40.55 74.74 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.965 0.906 . . . . 0.0 112.862 -179.281 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -66.22 -28.29 68.63 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 178.039 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -87.89 -28.58 21.46 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.565 1.146 . . . . 0.0 113.432 175.134 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -77.96 -36.37 21.8 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 O-C-N 121.171 -0.956 . . . . 0.0 111.569 176.666 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.67 -25.39 66.54 Favored 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 114.074 1.139 . . . . 0.0 114.074 -178.125 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -71.83 -7.83 50.71 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-N 119.363 0.983 . . . . 0.0 113.488 172.326 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.0 mmpp? -94.44 -0.72 54.56 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 125.263 1.425 . . . . 0.0 113.785 169.43 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 20.4 p-10 -65.37 171.85 3.63 Favored 'General case' 0 CA--C 1.551 1.007 0 N-CA-C 115.685 1.735 . . . . 0.0 115.685 -166.548 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 87.97 79.47 1.26 Allowed Glycine 0 CA--C 1.531 1.045 0 C-N-CA 124.925 1.25 . . . . 0.0 110.898 -171.271 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 24.4 p -62.94 139.69 58.77 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.175 0.99 . . . . 0.0 112.671 -177.512 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -101.25 128.74 47.25 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 125.644 1.578 . . . . 0.0 111.632 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 44.2 p90 -149.82 175.13 11.9 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 127.434 2.294 . . . . 0.0 110.234 -178.75 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 47.2 tt0 56.76 81.27 0.14 Allowed 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 125.937 1.695 . . . . 0.0 112.666 -178.668 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 81.58 -43.44 2.93 Favored Glycine 0 CA--C 1.536 1.347 0 C-N-CA 124.976 1.274 . . . . 0.0 113.236 -173.74 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 36.6 m-20 -77.37 153.84 33.34 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 117.791 0.795 . . . . 0.0 110.624 165.57 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.61 102.51 3.94 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.117 1.367 . . . . 0.0 111.301 177.785 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -165.5 81.99 0.33 Allowed 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.194 1.398 . . . . 0.0 109.796 170.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 14.8 ttm180 -86.46 133.91 33.72 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 120.837 -1.164 . . . . 0.0 111.215 178.357 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.8 m -138.47 123.1 21.99 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 125.271 1.428 . . . . 0.0 110.36 -179.475 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -163.31 153.2 15.45 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 126.072 1.749 . . . . 0.0 109.174 179.503 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 32.3 m -129.61 135.82 28.14 Favored Pre-proline 0 N--CA 1.477 0.905 0 O-C-N 121.294 -0.879 . . . . 0.0 111.812 175.225 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -68.49 -21.95 39.45 Favored 'Trans proline' 0 CA--C 1.539 0.773 0 C-N-CA 123.315 2.677 . . . . 0.0 113.245 178.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 22.0 p90 -81.97 10.28 6.8 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 114.94 1.459 . . . . 0.0 114.94 179.74 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -72.33 55.68 0.34 Allowed 'General case' 0 CA--C 1.557 1.227 0 C-N-CA 125.901 1.68 . . . . 0.0 113.674 -179.401 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -151.88 36.87 0.56 Allowed 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 126.891 2.076 . . . . 0.0 111.307 -177.34 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 7.7 tpt180 -121.08 29.0 7.56 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 125.807 1.643 . . . . 0.0 114.16 -165.034 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 . . . . . 0 C--O 1.253 1.278 0 C-N-CA 126.919 2.088 . . . . 0.0 113.645 177.707 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 101' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.552 2.523 2 O4'-C1'-N19 113.514 5.314 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 102' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.38 4 O4'-C1'-N19 114.717 6.517 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 103' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.324 0 O5'-C5'-C4' 115.205 3.575 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.481 2 O4'-C1'-N19 113.707 5.507 . 0.057 4g . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 105' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.489 0 O5'-C5'-C4' 115.739 3.957 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1[' 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 106' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.527 0 C5'-C4'-O4' 112.539 2.385 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.622 0 N-CA-C 111.451 -0.66 . . . . 0.0 111.451 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 38.7 t -153.76 -48.69 0.09 Allowed 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.241 1.016 . . . . 0.0 112.919 178.032 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 17.2 p80 -154.12 164.58 38.27 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.881 1.673 . . . . 0.0 111.465 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.0 mmt -102.33 -52.17 3.19 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 113.89 1.071 . . . . 0.0 113.89 -176.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 5.3 t 49.01 56.66 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.325 0 C-N-CA 125.619 1.568 . . . . 0.0 113.199 173.651 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 47.9 pt -70.98 -2.65 2.83 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.205 0 N-CA-C 115.189 1.552 . . . . 0.0 115.189 -175.25 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 66.6 mtp180 -101.32 -174.15 2.54 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 127.095 2.158 . . . . 0.0 113.681 -172.177 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 67.32 3.41 3.26 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 128.158 2.583 . . . . 0.0 115.739 178.256 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.0 p -158.19 163.81 37.15 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 127.512 2.325 . . . . 0.0 109.685 174.59 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.7 p -122.15 -54.94 3.03 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.312 0 N-CA-C 113.867 1.062 . . . . 0.0 113.867 -174.076 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 58.2 m -118.62 110.18 17.02 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.936 1.295 . . . . 0.0 111.289 -172.226 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.69 147.46 42.79 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 114.111 1.152 . . . . 0.0 114.111 -168.178 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.0 mt -82.35 149.99 4.54 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 C-N-CA 125.85 1.66 . . . . 0.0 109.911 160.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -135.09 146.78 49.2 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.988 1.715 . . . . 0.0 110.73 166.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 47.9 t -133.11 123.02 47.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 124.811 1.245 . . . . 0.0 109.456 168.406 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -89.77 136.13 13.33 Favored Glycine 0 CA--C 1.525 0.706 0 C-N-CA 125.266 1.412 . . . . 0.0 113.074 -179.473 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.2 m120 54.2 45.04 28.19 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.285 1.034 . . . . 0.0 112.311 176.459 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.4 tp -50.77 124.48 20.06 Favored Pre-proline 0 CA--C 1.551 0.992 0 C-N-CA 126.919 2.088 . . . . 0.0 112.367 -170.672 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -71.63 116.94 4.9 Favored 'Trans proline' 0 CA--C 1.54 0.79 0 C-N-CA 122.837 2.358 . . . . 0.0 111.034 176.515 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.6 t 60.95 162.62 0.06 Allowed 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 126.43 1.892 . . . . 0.0 114.705 -171.267 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 52.1 p-80 -85.24 104.21 14.9 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 120.638 -1.289 . . . . 0.0 110.266 175.149 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 17.4 m -77.56 146.61 8.17 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 C-N-CA 123.924 0.889 . . . . 0.0 111.437 178.234 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 55.1 m -81.71 141.52 33.51 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.328 0.651 . . . . 0.0 111.803 174.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 31.0 p -53.34 -59.17 4.91 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.773 1.629 . . . . 0.0 112.764 -178.768 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.531 ' H ' ' HD3' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -61.94 -26.27 68.09 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 126.227 1.811 . . . . 0.0 114.783 177.882 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -75.7 -42.96 49.5 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 119.001 0.819 . . . . 0.0 111.871 175.112 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 90.3 t -64.59 -42.22 94.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 O-C-N 122.014 -0.428 . . . . 0.0 110.754 172.263 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -52.97 -53.79 44.64 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.451 0.7 . . . . 0.0 111.342 172.464 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -61.56 -35.43 77.77 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 113.079 0.77 . . . . 0.0 113.079 -177.022 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 63.0 tt0 -68.6 -43.19 76.96 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 118.721 0.691 . . . . 0.0 112.23 171.726 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -82.99 -12.28 57.41 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 115.436 1.643 . . . . 0.0 115.436 -172.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -53.97 -26.02 23.67 Favored 'General case' 0 N--CA 1.486 1.335 0 CA-C-N 120.753 1.615 . . . . 0.0 114.342 177.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.421 ' HE3' ' CD1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -69.03 -11.79 61.1 Favored 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 114.927 1.455 . . . . 0.0 114.927 174.384 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.421 ' CD1' ' HE3' ' A' ' 30' ' ' LYS . 47.5 m-85 -101.92 8.27 41.2 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 125.481 1.512 . . . . 0.0 113.34 173.873 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 124.23 -169.38 16.31 Favored Glycine 0 CA--C 1.534 1.251 0 C-N-CA 125.219 1.39 . . . . 0.0 114.487 176.743 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -86.36 110.21 19.53 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-O 121.948 0.88 . . . . 0.0 112.163 177.482 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -68.32 139.23 21.02 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 C-N-CA 126.475 1.91 . . . . 0.0 109.943 169.03 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -86.96 -56.87 3.19 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.901 0.881 . . . . 0.0 111.167 175.628 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.69 159.97 39.98 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 125.379 1.472 . . . . 0.0 112.286 168.089 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 20.6 p -134.84 149.88 50.41 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.442 1.497 . . . . 0.0 111.323 176.194 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -159.13 167.1 30.02 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-O 121.509 0.671 . . . . 0.0 112.061 169.202 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 46.2 t -128.85 128.83 67.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 124.997 1.319 . . . . 0.0 110.308 -175.746 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.467 ' HE3' ' CD1' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -115.13 170.7 8.16 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.773 1.629 . . . . 0.0 111.042 -178.649 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.51 150.34 34.36 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.433 1.093 . . . . 0.0 113.126 172.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.0 t -90.13 157.17 17.88 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.607 1.163 . . . . 0.0 111.327 170.658 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.1 p -59.21 -22.6 22.66 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 124.841 1.257 . . . . 0.0 112.63 169.76 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 13.5 t -68.74 -12.29 61.29 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 124.509 1.124 . . . . 0.0 113.609 171.632 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 100.98 -11.46 58.88 Favored Glycine 0 CA--C 1.535 1.305 0 C-N-CA 126.032 1.777 . . . . 0.0 115.803 172.282 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.1 141.93 49.18 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 119.015 1.408 . . . . 0.0 112.258 174.185 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -103.96 160.23 15.0 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.149 1.38 . . . . 0.0 112.186 174.798 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -145.38 121.36 10.69 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.767 1.227 . . . . 0.0 111.57 -177.102 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -92.11 140.92 29.15 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.233 0.613 . . . . 0.0 111.596 172.611 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.467 ' CD1' ' HE3' ' A' ' 40' ' ' LYS . 69.3 m-85 -138.83 139.82 38.31 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.904 1.282 . . . . 0.0 111.083 174.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.5 mp -140.45 124.37 17.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 125.094 1.357 . . . . 0.0 109.719 -177.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -83.04 132.29 35.13 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.535 0.734 . . . . 0.0 110.729 172.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -140.66 150.01 42.97 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 -166.666 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -87.18 -18.36 30.53 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -168.491 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -145.4 117.19 8.18 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 119.736 1.153 . . . . 0.0 112.802 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.16 -38.55 80.02 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.26 1.424 . . . . 0.0 113.848 177.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.61 -28.5 30.76 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.492 0.717 . . . . 0.0 112.796 -171.501 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -74.82 -42.46 57.98 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 123.314 0.646 . . . . 0.0 110.617 169.105 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.76 -25.27 67.85 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 114.166 1.173 . . . . 0.0 114.166 174.24 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.74 -28.96 67.82 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 121.059 -1.026 . . . . 0.0 113.457 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -66.69 -19.66 65.81 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 113.53 0.937 . . . . 0.0 113.53 175.299 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -76.11 -59.29 2.83 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 118.847 0.749 . . . . 0.0 111.353 172.551 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -57.66 -40.45 75.44 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 O-C-N 121.443 -0.786 . . . . 0.0 111.276 -174.342 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.55 -18.03 65.01 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 115.032 1.493 . . . . 0.0 115.032 -179.749 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -99.02 -24.42 14.92 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-N 119.804 1.184 . . . . 0.0 113.461 170.749 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -84.84 -0.38 53.77 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.089 1.356 . . . . 0.0 113.479 173.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 21.1 p-10 -66.38 178.6 1.17 Allowed 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 126.126 1.77 . . . . 0.0 115.532 -170.087 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 96.05 69.41 1.02 Allowed Glycine 0 CA--C 1.528 0.897 0 C-N-CA 125.329 1.442 . . . . 0.0 111.203 -174.012 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 9.7 p -66.42 118.23 9.78 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.275 1.03 . . . . 0.0 111.669 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -88.5 135.7 33.35 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.187 0.995 . . . . 0.0 112.922 179.522 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 45.2 p90 -148.81 170.97 17.04 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 127.485 2.314 . . . . 0.0 109.984 175.553 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 49.0 tt0 55.72 82.62 0.1 Allowed 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 126.182 1.793 . . . . 0.0 113.786 179.479 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 84.56 -9.09 65.91 Favored Glycine 0 CA--C 1.537 1.467 0 C-N-CA 124.822 1.201 . . . . 0.0 114.982 -178.308 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 71.6 m-80 -130.89 148.54 52.67 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 126.523 1.929 . . . . 0.0 109.686 168.678 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.71 101.68 5.78 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.647 1.579 . . . . 0.0 109.65 -175.767 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -166.29 70.13 0.12 Allowed 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.603 1.161 . . . . 0.0 111.016 175.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 50.3 ttm-85 -76.47 149.66 36.76 Favored 'General case' 0 N--CA 1.478 0.941 0 O-C-N 120.589 -1.319 . . . . 0.0 112.544 178.533 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -145.63 121.64 3.62 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 125.434 1.494 . . . . 0.0 110.224 178.376 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -162.86 151.75 14.78 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 127.238 2.215 . . . . 0.0 108.494 178.735 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 28.1 m -129.38 112.14 18.03 Favored Pre-proline 0 N--CA 1.475 0.814 0 CA-C-N 119.704 1.138 . . . . 0.0 112.333 -176.61 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -72.55 88.12 0.9 Allowed 'Trans proline' 0 CA--C 1.547 1.125 0 C-N-CA 123.368 2.712 . . . . 0.0 113.097 178.335 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -117.53 42.1 2.67 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 126.983 2.113 . . . . 0.0 111.067 169.781 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -74.53 41.62 0.15 Allowed 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 125.864 1.665 . . . . 0.0 114.358 -172.741 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -142.46 15.16 2.0 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 126.535 1.934 . . . . 0.0 113.767 -174.599 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.2 tpt180 -140.1 18.17 2.44 Favored 'General case' 0 N--CA 1.483 1.217 0 N-CA-C 115.008 1.484 . . . . 0.0 115.008 -171.687 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 19.1 tp10 . . . . . 0 N--CA 1.482 1.154 0 C-N-CA 126.591 1.957 . . . . 0.0 112.354 -178.799 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 101' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.544 1 O4'-C1'-N19 114.997 6.797 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 102' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.182 1 O4'-C1'-N19 113.147 4.947 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 103' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.675 3 O5'-C5'-C4' 117.223 5.016 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.617 2.407 3 O4'-C1'-N19 119.318 11.118 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 105' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.705 0 O4'-C1'-N19 111.69 3.49 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 106' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.675 0 C5'-C4'-C3' 111.811 -2.459 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.558 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 9.0 t -70.12 169.74 12.91 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.845 0.858 . . . . 0.0 112.503 172.636 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 36.6 m80 62.47 163.87 0.1 Allowed 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 127.325 2.25 . . . . 0.0 113.929 -168.293 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.9 ttp -151.34 137.97 18.76 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.328 1.051 . . . . 0.0 111.598 174.426 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.2 p -154.43 142.58 13.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 126.057 1.743 . . . . 0.0 109.587 176.477 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 11.5 tt -161.89 159.88 1.6 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 126.191 1.796 . . . . 0.0 110.202 175.681 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -121.67 129.39 52.74 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 124.678 1.191 . . . . 0.0 111.787 178.6 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 55.62 27.79 11.02 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 126.035 1.734 . . . . 0.0 114.285 -177.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . 0.298 65.5 p 49.89 -105.52 0.18 Allowed 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 127.197 2.199 . . . . 0.0 113.123 -169.68 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.3 m 41.0 70.97 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 C-N-CA 127.339 2.256 . . . . 0.0 112.72 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.9 p -43.33 114.29 0.61 Allowed 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 126.861 2.064 . . . . 0.0 113.853 -172.489 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.35 137.51 50.4 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.475 1.11 . . . . 0.0 112.95 -178.254 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.6 mt -75.51 138.49 20.78 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 168.101 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -109.38 137.69 46.86 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.644 1.578 . . . . 0.0 109.763 167.111 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.7 m -136.36 134.36 49.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 124.068 0.947 . . . . 0.0 109.512 163.288 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -126.6 157.6 20.41 Favored Glycine 0 CA--C 1.528 0.845 0 C-N-CA 125.972 1.748 . . . . 0.0 113.146 -173.631 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 59.6 m-80 55.11 24.59 6.28 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 124.476 1.11 . . . . 0.0 113.157 -175.018 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -65.82 142.13 97.99 Favored Pre-proline 0 CA--C 1.549 0.933 0 C-N-CA 123.789 0.835 . . . . 0.0 112.776 -171.177 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -70.01 162.41 42.29 Favored 'Trans proline' 0 CA--C 1.542 0.877 0 C-N-CA 122.783 2.322 . . . . 0.0 111.2 164.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 31.5 p 56.39 -12.43 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 129.198 2.999 . . . . 0.0 118.525 174.689 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 52.53 55.23 9.39 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 126.684 1.994 . . . . 0.0 113.291 172.319 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 12.8 p -50.06 128.25 6.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 125.36 1.464 . . . . 0.0 113.231 -172.653 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 40.9 m -68.06 157.66 34.72 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.033 1.333 . . . . 0.0 112.935 -176.496 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 65.5 p -55.22 -46.06 75.94 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.361 1.065 . . . . 0.0 112.713 177.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.57 -38.41 77.83 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 126.051 1.741 . . . . 0.0 113.316 176.475 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -78.23 -49.52 13.59 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 123.674 0.789 . . . . 0.0 112.275 177.408 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.0 p -66.83 -35.4 74.66 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 123.084 0.554 . . . . 0.0 111.761 -175.466 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -57.06 -58.88 6.27 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 118.941 0.791 . . . . 0.0 111.355 174.003 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -68.63 -25.76 65.01 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 113.139 0.792 . . . . 0.0 113.139 -174.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -70.89 -44.31 66.54 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 121.634 -0.667 . . . . 0.0 112.128 168.279 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -79.36 -17.73 53.88 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 113.707 1.003 . . . . 0.0 113.707 -175.328 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 51.8 mtp180 -52.44 -27.94 18.06 Favored 'General case' 0 N--CA 1.486 1.337 0 CA-C-N 120.077 1.308 . . . . 0.0 114.003 172.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.57 -32.59 74.31 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.65 1.18 . . . . 0.0 112.535 174.659 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -92.48 -14.88 27.81 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.91 1.284 . . . . 0.0 114.311 -178.677 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 170.17 173.57 37.63 Favored Glycine 0 CA--C 1.532 1.137 0 CA-C-N 119.467 1.03 . . . . 0.0 114.203 175.594 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -69.96 104.19 2.46 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 121.819 -0.813 . . . . 0.0 110.182 171.106 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.2 tp -84.14 122.01 37.29 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 C-N-CA 126.696 1.998 . . . . 0.0 110.337 175.113 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -87.42 -49.74 7.02 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.034 1.334 . . . . 0.0 112.751 178.741 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -156.67 146.14 20.63 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 125.825 1.65 . . . . 0.0 111.912 -176.587 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 21.4 p -146.51 151.67 37.74 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.579 1.151 . . . . 0.0 112.416 176.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -162.91 161.52 25.82 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.444 1.498 . . . . 0.0 111.522 175.709 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 22.9 t -107.8 130.7 59.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 125.138 1.375 . . . . 0.0 110.465 175.46 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.0 170.97 8.09 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 126.526 1.93 . . . . 0.0 110.729 177.76 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.3 161.09 41.07 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 124.723 1.209 . . . . 0.0 113.559 178.52 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 9.9 t -116.16 160.68 20.04 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 125.569 1.548 . . . . 0.0 112.169 177.279 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 34.6 m -61.93 -20.17 23.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 125.466 1.506 . . . . 0.0 113.425 175.084 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 13.1 t -70.35 -11.9 61.22 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.529 1.132 . . . . 0.0 113.341 171.164 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 94.82 -7.73 70.52 Favored Glycine 0 CA--C 1.534 1.278 0 C-N-CA 125.797 1.665 . . . . 0.0 115.226 177.244 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.04 154.28 41.92 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 118.513 1.157 . . . . 0.0 112.265 171.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -128.12 156.13 43.33 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.347 1.459 . . . . 0.0 111.457 177.426 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -145.24 123.49 12.24 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.385 1.074 . . . . 0.0 111.507 -169.234 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -93.14 136.71 33.15 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 118.545 0.612 . . . . 0.0 111.028 170.794 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -123.91 132.45 53.74 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.851 1.261 . . . . 0.0 109.895 176.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.3 mp -135.32 105.35 5.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 124.596 1.159 . . . . 0.0 110.305 -169.145 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -85.45 110.83 19.45 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 125.603 1.561 . . . . 0.0 113.373 -170.392 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -101.65 157.31 16.92 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.94 1.296 . . . . 0.0 114.262 178.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 46.0 tp10 -82.83 -29.39 29.51 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 125.561 1.544 . . . . 0.0 113.317 166.063 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -121.1 89.06 3.06 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.195 1.398 . . . . 0.0 113.369 -165.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.35 -42.17 95.2 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 114.553 1.316 . . . . 0.0 114.553 -174.535 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -69.6 -36.36 76.13 Favored 'General case' 0 N--CA 1.48 1.043 0 O-C-N 120.811 -1.181 . . . . 0.0 112.565 178.342 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -70.47 -40.63 73.53 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 123.114 0.566 . . . . 0.0 110.853 177.101 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.68 -26.08 67.8 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.869 1.268 . . . . 0.0 113.976 174.525 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.41 -22.6 66.28 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 113.682 0.993 . . . . 0.0 113.682 178.745 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -67.18 -21.49 65.79 Favored 'General case' 0 CA--C 1.543 0.711 0 O-C-N 120.975 -1.078 . . . . 0.0 113.313 173.238 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -76.03 -54.4 6.91 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 119.063 0.847 . . . . 0.0 111.256 171.329 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -60.44 -40.45 84.23 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 O-C-N 121.598 -0.689 . . . . 0.0 110.798 -174.613 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.72 -9.18 41.53 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 115.517 1.673 . . . . 0.0 115.517 -178.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -109.02 -19.46 13.38 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 113.992 1.108 . . . . 0.0 113.992 168.553 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 11.0 mmpt? -88.81 -14.52 36.8 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 125.024 1.33 . . . . 0.0 113.949 174.329 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 54.2 p30 -62.25 174.36 0.94 Allowed 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 125.671 1.588 . . . . 0.0 115.246 -177.355 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 88.13 65.9 1.32 Allowed Glycine 0 CA--C 1.532 1.151 0 C-N-CA 124.772 1.177 . . . . 0.0 111.661 -171.613 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 28.9 p -62.15 154.39 27.36 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.14 0.976 . . . . 0.0 112.448 176.745 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -148.62 152.26 36.43 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.228 1.011 . . . . 0.0 112.468 -174.056 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 2.5 p90 -161.17 170.27 20.66 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.574 1.549 . . . . 0.0 111.834 -160.501 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 59.57 21.51 10.09 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 125.733 1.613 . . . . 0.0 114.656 -179.309 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 175.33 -64.45 0.1 Allowed Glycine 0 CA--C 1.529 0.918 0 C-N-CA 125.26 1.41 . . . . 0.0 111.244 176.336 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -77.52 156.05 31.22 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.808 0.843 . . . . 0.0 111.562 167.72 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -121.27 107.24 12.3 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 126.452 1.901 . . . . 0.0 109.383 176.135 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.1 mt -171.43 129.89 0.7 Allowed 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 126.059 1.744 . . . . 0.0 110.324 168.702 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 18.6 ttm180 -140.27 140.43 35.73 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.677 1.191 . . . . 0.0 110.998 171.073 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 86.2 t -145.41 123.97 5.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 125.319 1.448 . . . . 0.0 108.67 -171.016 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -157.57 158.3 35.35 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 124.111 0.964 . . . . 0.0 111.495 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 4.1 m -123.13 129.02 25.11 Favored Pre-proline 0 N--CA 1.472 0.674 0 C-N-CA 124.107 0.963 . . . . 0.0 111.169 173.546 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -70.04 -26.08 26.63 Favored 'Trans proline' 0 CA--C 1.541 0.873 0 C-N-CA 122.669 2.246 . . . . 0.0 112.361 173.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 44.8 p90 -80.89 -32.22 34.9 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 113.94 1.089 . . . . 0.0 113.94 -179.143 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 51.37 68.55 0.78 Allowed 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 126.234 1.814 . . . . 0.0 113.371 178.41 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 54.64 -146.08 0.58 Allowed 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 125.465 1.506 . . . . 0.0 112.693 -172.681 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -148.91 -49.51 0.15 Allowed 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 124.401 1.08 . . . . 0.0 112.097 -179.054 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 . . . . . 0 C--O 1.254 1.303 0 C-N-CA 125.47 1.508 . . . . 0.0 113.36 174.141 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 101' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.227 0 C4'-C3'-C2' 99.309 -3.391 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 102' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.198 1 O4'-C1'-N19 115.161 6.961 . 0.053 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 103' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.185 0 O3'-P-O5' 97.153 -3.604 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.994 1 C5'-C4'-C3' 108.978 -4.348 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 105' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.687 0 O5'-C5'-C4' 115.748 3.963 . 0.0 OUTLIER '7D dist 5z' 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 106' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.964 0 O4'-C1'-N19 111.734 3.534 . 0.496 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.429 0 N-CA-C 108.989 -1.645 . . . . 0.0 108.989 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 23.4 m -149.61 67.77 1.01 Allowed 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 121.657 0.741 . . . . 0.0 111.432 -140.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -158.22 123.63 4.45 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 125.78 1.632 . . . . 0.0 108.296 -169.327 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.447 ' HG3' ' H ' ' A' ' 2' ' ' VAL . 13.7 ptt? -155.03 -96.47 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 119.229 0.922 . . . . 0.0 112.778 179.59 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.447 ' H ' ' HG3' ' A' ' 1' ' ' MET . 38.3 t -76.57 83.88 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 CA-C-N 119.368 0.985 . . . . 0.0 110.707 -175.254 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 19.5 tt -159.09 156.71 3.57 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 126.065 1.746 . . . . 0.0 109.778 178.362 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.1 mmt180 -107.44 -22.07 12.69 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 115.135 1.532 . . . . 0.0 115.135 -179.458 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -98.35 166.0 11.59 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 124.718 1.207 . . . . 0.0 111.602 165.074 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.3 t -90.32 145.14 25.2 Favored 'General case' 0 N--CA 1.479 0.981 0 O-C-N 120.671 -1.268 . . . . 0.0 111.998 174.262 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 15.9 t -94.83 85.83 1.81 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 123.935 0.894 . . . . 0.0 111.562 -175.342 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.4 p -66.13 129.31 39.36 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.855 1.262 . . . . 0.0 112.978 175.468 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.2 mtm180 -135.12 159.71 40.68 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.38 1.072 . . . . 0.0 113.171 -175.242 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.418 HD12 ' CE1' ' A' ' 53' ' ' PHE . 51.2 mt -114.07 147.06 17.84 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 C-N-CA 127.138 2.175 . . . . 0.0 109.074 176.106 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -136.95 145.69 44.51 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.371 1.468 . . . . 0.0 111.94 -178.75 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 21.0 t -135.49 112.09 13.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 O-C-N 121.275 -0.891 . . . . 0.0 110.939 169.147 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -79.03 138.7 21.06 Favored Glycine 0 CA--C 1.528 0.847 0 C-N-CA 125.493 1.52 . . . . 0.0 114.185 176.354 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 10.9 m120 60.77 32.3 20.17 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 126.198 1.799 . . . . 0.0 113.926 178.3 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.7 tt -70.36 121.8 84.46 Favored Pre-proline 0 CA--C 1.548 0.896 0 C-N-CA 125.052 1.341 . . . . 0.0 111.245 177.486 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -74.07 173.05 14.74 Favored 'Trans proline' 0 CA--C 1.541 0.846 0 C-N-CA 123.215 2.61 . . . . 0.0 111.79 170.175 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.4 t -71.66 46.68 0.12 Allowed 'General case' 0 N--CA 1.482 1.17 0 CA-C-O 122.71 1.243 . . . . 0.0 114.01 176.697 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 38.1 t60 -71.09 -28.33 64.25 Favored 'General case' 0 CA--C 1.538 0.506 0 O-C-N 120.189 -1.569 . . . . 0.0 111.527 166.485 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 27.0 m -137.22 135.57 47.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 125.625 1.57 . . . . 0.0 110.652 177.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 95.5 p -89.81 171.49 9.58 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.163 0.985 . . . . 0.0 111.41 173.086 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 65.4 p -60.63 -23.39 64.72 Favored 'General case' 0 N--CA 1.477 0.925 0 O-C-N 120.871 -1.143 . . . . 0.0 113.821 176.653 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.85 -55.88 12.8 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.791 1.236 . . . . 0.0 111.527 162.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -71.92 -25.97 62.11 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 114.091 1.145 . . . . 0.0 114.091 -165.73 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 80.5 t -55.35 -31.45 27.19 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 123.825 0.85 . . . . 0.0 111.724 171.514 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 70.0 tt0 -65.86 -55.18 18.35 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 119.811 1.187 . . . . 0.0 112.457 176.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -61.66 -33.41 73.92 Favored 'General case' 0 N--CA 1.468 0.452 0 O-C-N 121.787 -0.571 . . . . 0.0 112.182 175.275 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -67.19 -49.54 64.25 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 177.07 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -82.74 -15.8 50.45 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 114.857 1.429 . . . . 0.0 114.857 -176.607 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 25.0 mtt-85 -56.82 -27.73 60.45 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 114.689 1.366 . . . . 0.0 114.689 172.442 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.54 -25.97 61.58 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-N 119.56 1.073 . . . . 0.0 113.301 173.359 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -70.29 -50.93 34.35 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.498 0.719 . . . . 0.0 109.338 -175.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 176.69 -154.32 16.05 Favored Glycine 0 CA--C 1.537 1.421 0 C-N-CA 125.375 1.464 . . . . 0.0 111.924 176.513 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -71.98 85.09 0.98 Allowed 'General case' 0 CA--C 1.547 0.861 0 CA-C-N 118.177 0.988 . . . . 0.0 112.141 174.554 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -69.79 136.48 26.08 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 C-N-CA 126.234 1.814 . . . . 0.0 110.268 162.304 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 62.2 mt -104.72 -44.82 4.76 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.036 1.334 . . . . 0.0 112.717 178.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -150.61 152.21 33.71 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 126.403 1.881 . . . . 0.0 110.672 -176.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 13.1 p -141.17 153.69 45.46 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.655 1.582 . . . . 0.0 111.149 177.215 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -164.21 173.22 12.63 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.082 0.953 . . . . 0.0 111.947 163.085 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 27.9 m -121.64 123.58 69.74 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 124.702 1.201 . . . . 0.0 112.149 174.231 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 78.0 mttt -91.37 163.76 14.08 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 125.725 1.61 . . . . 0.0 110.983 170.193 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.56 165.59 29.9 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 125.541 1.537 . . . . 0.0 109.877 159.462 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.2 p -128.11 -179.71 5.14 Favored 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 112.929 0.714 . . . . 0.0 112.929 -178.699 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 29.2 t -60.84 -14.74 10.22 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 124.555 1.142 . . . . 0.0 112.573 173.027 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.3 t -70.12 -11.85 61.19 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.008 1.323 . . . . 0.0 113.629 169.27 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 76.93 -20.24 3.06 Favored Glycine 0 CA--C 1.537 1.424 0 O-C-N 120.139 -1.601 . . . . 0.0 114.305 -173.706 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.98 136.86 58.21 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.776 1.231 . . . . 0.0 111.819 170.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -108.13 162.32 14.17 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.972 1.309 . . . . 0.0 111.855 174.236 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -148.0 128.47 14.03 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 125.431 1.492 . . . . 0.0 110.554 -164.173 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -91.86 141.36 28.73 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 118.595 0.634 . . . . 0.0 111.454 169.674 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -133.39 139.27 46.68 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 124.611 1.165 . . . . 0.0 110.591 169.425 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.5 mp -141.66 140.64 30.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 124.545 1.138 . . . . 0.0 110.499 -176.261 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -110.97 138.9 46.81 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 125.311 1.444 . . . . 0.0 112.954 -176.524 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.418 ' CE1' HD12 ' A' ' 10' ' ' ILE . 24.1 m-85 -142.62 137.82 30.29 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.062 1.345 . . . . 0.0 112.404 -169.214 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -81.15 -30.6 34.43 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 112.991 0.738 . . . . 0.0 112.991 167.563 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -108.73 70.7 0.75 Allowed 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.646 1.178 . . . . 0.0 113.07 -172.533 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -53.6 -51.1 64.1 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.585 1.154 . . . . 0.0 112.399 176.458 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.89 8.57 1.16 Allowed 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 115.852 1.797 . . . . 0.0 115.852 178.369 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -112.98 -54.05 2.66 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.868 1.667 . . . . 0.0 109.23 173.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.38 -17.43 64.53 Favored 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 114.784 1.402 . . . . 0.0 114.784 175.676 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.62 -47.02 77.25 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 114.009 1.115 . . . . 0.0 114.009 -177.601 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -62.65 -40.31 96.63 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 119.374 0.988 . . . . 0.0 112.067 179.043 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.8 -26.66 67.8 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.474 0.709 . . . . 0.0 112.572 176.406 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.6 mm -74.98 -46.91 38.9 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 123.856 0.862 . . . . 0.0 112.194 168.811 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . 0.349 0.0 OUTLIER -78.32 -6.47 55.17 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 115.488 1.662 . . . . 0.0 115.488 -175.887 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -73.68 -3.77 30.23 Favored 'General case' 0 CA--C 1.552 1.02 0 O-C-N 120.979 -1.076 . . . . 0.0 113.655 158.075 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -121.94 16.96 10.94 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 127.243 2.217 . . . . 0.0 113.206 177.662 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 38.4 p-10 -74.49 178.66 5.13 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-O 121.92 0.867 . . . . 0.0 113.071 -177.649 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 86.49 83.63 1.12 Allowed Glycine 0 CA--C 1.527 0.832 0 C-N-CA 124.263 0.935 . . . . 0.0 111.586 -176.501 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 23.1 p -67.72 166.44 15.21 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-O 122.62 1.2 . . . . 0.0 112.894 178.327 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -136.45 134.2 37.44 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 126.6 1.96 . . . . 0.0 111.014 -170.134 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 7.4 p90 -157.15 162.2 39.37 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.889 1.276 . . . . 0.0 111.967 -167.213 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 61.73 -15.07 0.05 OUTLIER 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 128.612 2.765 . . . . 0.0 118.058 177.082 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -148.48 -58.93 0.01 OUTLIER Glycine 0 CA--C 1.528 0.877 0 C-N-CA 125.163 1.364 . . . . 0.0 110.92 173.474 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 58.6 m-20 -72.35 162.96 28.76 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 123.031 0.532 . . . . 0.0 110.027 157.255 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.43 120.99 12.5 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.279 1.032 . . . . 0.0 111.306 170.664 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.9 mt -171.07 124.73 0.64 Allowed 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 126.255 1.822 . . . . 0.0 109.161 164.098 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 31.0 ttm180 -122.24 78.29 1.48 Allowed 'General case' 0 N--CA 1.48 1.035 0 O-C-N 121.54 -0.725 . . . . 0.0 111.008 173.325 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 82.5 t -64.53 125.24 20.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 163.636 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -154.4 152.21 29.92 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.584 1.154 . . . . 0.0 109.767 -176.268 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 7.2 p -129.33 84.07 63.38 Favored Pre-proline 0 CA--C 1.541 0.631 0 O-C-N 121.137 -0.977 . . . . 0.0 112.572 -157.488 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -71.17 59.79 2.4 Favored 'Trans proline' 0 CA--C 1.55 1.303 0 C-N-CA 124.586 3.524 . . . . 0.0 113.313 172.202 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 19.8 m-30 -84.73 -12.93 52.77 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.378 1.471 . . . . 0.0 112.887 162.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 14.4 m120 58.77 19.37 6.84 Favored 'General case' 0 CA--C 1.555 1.153 0 C-N-CA 125.776 1.631 . . . . 0.0 114.467 -176.284 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 52.02 163.95 0.01 OUTLIER 'General case' 0 CA--C 1.554 1.116 0 C-N-CA 126.304 1.842 . . . . 0.0 114.205 -163.766 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -142.11 111.7 6.65 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 120.28 -1.513 . . . . 0.0 110.974 -172.168 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 . . . . . 0 C--O 1.253 1.254 0 C-N-CA 126.956 2.102 . . . . 0.0 115.201 -174.521 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 101' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.241 2 O4'-C1'-N19 113.833 5.633 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 102' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.373 1 N19-C1'-C2' 121.294 4.934 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 103' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.448 0 O4'-C1'-N19 112.062 3.862 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.824 1 C3'-C2'-C1' 105.235 4.15 OUTLIER-EPSILON 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 105' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.379 2 P-O3'-C3' 125.356 4.713 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 106' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.727 0 O4'-C1'-N19 111.1 2.9 . 0.311 6g . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.386 0 N-CA-C 109.9 -1.28 . . . . 0.0 109.9 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 35.3 t -151.49 -55.6 0.14 Allowed 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.955 0.902 . . . . 0.0 110.962 164.221 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 38.4 t-80 -151.02 144.52 24.93 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 125.718 1.607 . . . . 0.0 111.069 178.403 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 42.2 mtt -105.22 144.64 31.74 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.789 1.236 . . . . 0.0 113.124 178.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 12.2 p -60.66 143.75 14.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 123.967 0.907 . . . . 0.0 111.074 166.499 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -70.39 111.17 4.0 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 123.502 0.721 . . . . 0.0 109.821 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 6.5 tpt180 -157.05 146.85 20.69 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.678 1.591 . . . . 0.0 110.778 179.609 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.434 ' HG2' ' H ' ' A' ' 6' ' ' SER . 16.8 tt0 58.48 -172.48 0.1 Allowed 'General case' 0 CA--C 1.556 1.195 0 C-N-CA 125.19 1.396 . . . . 0.0 112.928 -175.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.434 ' H ' ' HG2' ' A' ' 5' ' ' GLU . 84.9 p -83.86 -121.51 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.264 1.426 . . . . 0.0 110.798 170.432 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 3.2 t 52.78 49.3 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.209 0 C-N-CA 126.09 1.756 . . . . 0.0 111.596 179.523 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 37.7 m -63.61 134.16 54.98 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.188 0.995 . . . . 0.0 110.515 -177.639 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 39.0 ttp85 -148.96 130.93 15.26 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 119.285 0.948 . . . . 0.0 113.432 -175.077 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 84.1 mt -85.05 150.41 3.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 C-N-CA 125.899 1.679 . . . . 0.0 110.767 174.394 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -129.82 143.48 50.83 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 126.371 1.868 . . . . 0.0 111.075 173.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.2 p -142.66 128.51 17.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 124.486 1.115 . . . . 0.0 108.212 163.686 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -127.22 152.99 18.9 Favored Glycine 0 CA--C 1.525 0.719 0 C-N-CA 125.645 1.593 . . . . 0.0 111.947 -173.099 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 43.2 m-80 50.71 44.86 27.6 Favored 'General case' 0 CA--C 1.547 0.835 0 O-C-N 121.969 -0.724 . . . . 0.0 110.171 -162.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.6 pp -61.7 152.47 75.2 Favored Pre-proline 0 CA--C 1.55 0.951 0 C-N-CA 124.136 0.974 . . . . 0.0 113.176 -169.431 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -71.7 140.64 36.12 Favored 'Trans proline' 0 CA--C 1.538 0.683 0 C-N-CA 123.04 2.493 . . . . 0.0 111.753 -177.247 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 25.0 t 50.52 -125.63 2.25 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 124.517 1.127 . . . . 0.0 110.795 -174.458 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 62.0 t-80 -143.72 110.47 5.6 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.189 0.996 . . . . 0.0 110.239 159.569 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 25.4 m -82.73 133.21 29.6 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 123.709 0.803 . . . . 0.0 112.121 -174.402 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 60.3 m -77.59 144.37 37.56 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.477 0.711 . . . . 0.0 110.671 168.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 64.0 p -56.43 -40.84 75.41 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.974 0.91 . . . . 0.0 113.144 -177.328 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.4 tmm_? -59.83 -35.62 75.11 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.789 1.235 . . . . 0.0 112.829 176.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -68.83 -46.67 67.98 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.068 0.547 . . . . 0.0 111.081 -178.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -71.87 -34.81 52.5 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 122.586 0.354 . . . . 0.0 111.6 177.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -60.3 -48.5 81.48 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.878 0.871 . . . . 0.0 111.61 173.113 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -67.31 -29.57 69.19 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 113.057 0.762 . . . . 0.0 113.057 178.614 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.0 tp10 -68.82 -47.01 67.13 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.897 0.879 . . . . 0.0 112.252 171.004 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -78.39 -30.2 47.72 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 114.825 1.417 . . . . 0.0 114.825 -175.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.8 ppt_? -61.9 -16.83 53.83 Favored 'General case' 0 N--CA 1.483 1.196 0 N-CA-C 115.876 1.806 . . . . 0.0 115.876 -172.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.97 -9.43 58.63 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 114.324 1.231 . . . . 0.0 114.324 170.701 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -102.89 0.32 32.3 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.788 1.635 . . . . 0.0 113.756 176.668 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 142.89 179.06 19.32 Favored Glycine 0 CA--C 1.529 0.921 0 C-N-CA 125.013 1.292 . . . . 0.0 113.253 178.385 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -73.59 110.93 8.27 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 122.015 -0.697 . . . . 0.0 111.994 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -82.08 135.56 24.7 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 125.775 1.63 . . . . 0.0 109.364 163.547 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.4 mp -102.47 -32.78 9.79 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.179 1.392 . . . . 0.0 112.989 -179.598 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 52.3 tptt -153.08 135.71 15.23 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 126.001 1.72 . . . . 0.0 110.018 -177.256 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 50.6 t -140.27 127.28 20.82 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.871 1.268 . . . . 0.0 109.026 175.397 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -159.92 162.11 34.42 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-O 121.573 0.702 . . . . 0.0 112.881 177.866 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.1 p -123.63 139.51 49.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 125.718 1.607 . . . . 0.0 111.53 -174.498 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.575 ' HE3' ' CG ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -132.1 167.22 20.12 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 126.732 2.013 . . . . 0.0 110.624 -174.713 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.38 153.97 42.5 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 124.34 1.056 . . . . 0.0 113.45 178.089 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.6 t -101.07 158.59 15.9 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 125.219 1.408 . . . . 0.0 111.562 173.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 34.7 m -61.57 -19.33 20.64 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 C-N-CA 124.756 1.222 . . . . 0.0 113.245 171.566 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 12.9 t -71.03 -11.79 61.16 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 124.56 1.144 . . . . 0.0 113.51 170.716 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 97.58 -9.86 64.6 Favored Glycine 0 CA--C 1.538 1.487 0 C-N-CA 125.76 1.648 . . . . 0.0 115.629 174.656 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.75 153.9 41.68 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 118.787 1.293 . . . . 0.0 112.316 172.646 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -127.91 152.01 48.38 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.085 1.354 . . . . 0.0 112.141 178.737 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -140.53 130.82 25.09 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 125.196 1.398 . . . . 0.0 111.396 -170.239 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -111.12 135.26 51.91 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.784 0.834 . . . . 0.0 111.436 175.484 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.575 ' CG ' ' HE3' ' A' ' 40' ' ' LYS . 5.1 m-85 -124.79 128.02 48.09 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 126.297 1.839 . . . . 0.0 109.257 -171.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.7 mp -134.99 108.45 9.98 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 123.964 0.906 . . . . 0.0 110.106 -171.137 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -97.4 140.08 32.38 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.661 1.584 . . . . 0.0 112.286 -173.148 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -143.01 149.03 37.74 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.39 1.476 . . . . 0.0 113.171 -152.692 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 26.9 tp10 -71.52 -29.59 64.95 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 124.306 1.042 . . . . 0.0 113.653 175.725 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -142.54 122.35 13.5 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 125.483 1.513 . . . . 0.0 112.655 -179.64 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.16 -56.34 21.84 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.581 1.152 . . . . 0.0 112.423 172.457 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.6 ' H ' ' HD3' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -62.32 -30.16 70.96 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 114.71 1.374 . . . . 0.0 114.71 -174.64 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -75.75 -42.08 51.48 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 122.905 0.482 . . . . 0.0 110.833 178.5 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.86 -22.98 60.69 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.405 1.082 . . . . 0.0 113.741 173.412 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.25 -27.6 68.57 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 120.973 -1.079 . . . . 0.0 113.3 179.118 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -64.48 -27.82 69.24 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 173.208 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -75.62 -51.31 13.12 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 123.003 0.521 . . . . 0.0 110.726 166.068 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -59.11 -39.03 77.56 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.591 0 C-N-CA 123.266 0.627 . . . . 0.0 112.261 -171.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.54 -19.3 63.7 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 114.207 1.188 . . . . 0.0 114.207 176.457 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.93 -27.19 23.49 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.453 1.101 . . . . 0.0 112.139 172.874 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 67.4 mmtt -79.9 -28.23 39.87 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 124.331 1.052 . . . . 0.0 113.182 170.425 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -54.57 150.01 9.87 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.39 1.476 . . . . 0.0 114.078 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 128.25 66.94 0.13 Allowed Glycine 0 CA--C 1.531 1.059 0 C-N-CA 125.724 1.631 . . . . 0.0 110.554 -172.149 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 26.3 p -63.25 146.38 53.55 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.072 0.949 . . . . 0.0 113.208 -173.597 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -148.37 137.24 21.7 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.186 1.394 . . . . 0.0 111.364 -166.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 4.0 p90 -161.58 174.36 13.47 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 126.489 1.916 . . . . 0.0 111.371 -162.2 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 56.58 42.98 26.4 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 125.21 1.404 . . . . 0.0 114.226 174.262 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 142.33 -26.47 2.29 Favored Glycine 0 CA--C 1.533 1.176 0 C-N-CA 125.933 1.73 . . . . 0.0 112.899 -179.311 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 51.2 m-20 -119.6 162.35 19.09 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 126.495 1.918 . . . . 0.0 110.336 170.39 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.53 100.29 6.4 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.412 1.485 . . . . 0.0 109.403 177.55 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -167.8 85.1 0.21 Allowed 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 124.767 1.227 . . . . 0.0 111.317 172.838 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -94.25 125.5 38.93 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 120.075 -1.641 . . . . 0.0 110.706 169.292 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 6.7 t -121.1 130.24 74.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 124.707 1.203 . . . . 0.0 109.24 179.475 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -161.05 153.45 20.38 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.458 1.103 . . . . 0.0 110.448 -163.193 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -148.01 135.26 10.46 Favored Pre-proline 0 N--CA 1.477 0.897 0 C-N-CA 124.482 1.113 . . . . 0.0 111.735 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -71.53 -29.69 16.04 Favored 'Trans proline' 0 CA--C 1.542 0.892 0 C-N-CA 122.888 2.392 . . . . 0.0 112.478 175.44 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 17.4 p90 -81.38 15.66 1.94 Allowed 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 114.954 1.464 . . . . 0.0 114.954 -177.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -72.29 46.65 0.15 Allowed 'General case' 0 CA--C 1.555 1.154 0 C-N-CA 126.407 1.883 . . . . 0.0 115.596 -170.323 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -138.91 8.0 2.51 Favored 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 127.527 2.331 . . . . 0.0 112.572 171.58 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 8.3 tpt85 -80.56 4.97 16.69 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 126.011 1.724 . . . . 0.0 114.856 -173.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 36.1 tp10 . . . . . 0 C--O 1.251 1.165 0 C-N-CA 127.067 2.147 . . . . 0.0 112.217 -176.9 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 101' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.17 0 O4'-C1'-N19 111.909 3.709 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 102' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.549 2.25 1 O4'-C1'-N19 113.249 5.049 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 103' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.82 0 P-O3'-C3' 124.093 3.661 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 104' ' ' ' U' . . . . . 0.447 " O4'" ' HE2' ' A' ' 40' ' ' LYS . . . . . . . . 0 O4'--C4' 1.423 -2.494 0 C3'-C2'-C1' 104.789 3.655 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 105' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.797 0 C5'-C4'-C3' 112.176 -2.216 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 106' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.94 0 C5'-C4'-C3' 111.426 -2.716 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.588 0 N-CA-C 110.649 -0.98 . . . . 0.0 110.649 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 50.1 m -139.98 101.37 4.15 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.976 1.311 . . . . 0.0 110.506 -175.33 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 72.5 m80 -144.22 153.62 42.26 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.077 1.351 . . . . 0.0 112.174 -173.003 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.7 mtt -72.14 157.65 37.36 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.176 0.99 . . . . 0.0 111.785 171.281 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.5 p -146.64 141.37 20.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 124.735 1.214 . . . . 0.0 111.384 176.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 33.5 mm -139.55 148.53 23.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 126.931 2.092 . . . . 0.0 109.369 -174.222 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? 59.64 58.61 2.82 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 125.788 1.635 . . . . 0.0 112.03 -179.46 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 62.06 177.58 0.13 Allowed 'General case' 0 CA--C 1.555 1.143 0 C-N-CA 126.641 1.976 . . . . 0.0 114.243 178.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.6 p -150.47 162.47 40.52 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.288 1.435 . . . . 0.0 112.011 -177.439 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 8.4 p -150.43 143.9 17.23 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 125.058 1.343 . . . . 0.0 110.953 175.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 34.1 t -75.35 129.95 38.22 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 124.089 0.955 . . . . 0.0 111.935 177.223 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.8 138.83 29.0 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 113.373 0.879 . . . . 0.0 113.373 161.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 23.5 mt -74.06 150.92 7.33 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 125.185 1.394 . . . . 0.0 109.907 171.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 37.8 t80 -131.09 142.43 50.27 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.655 1.582 . . . . 0.0 111.823 173.432 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.3 p -148.83 136.56 14.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 125.889 1.675 . . . . 0.0 109.025 167.557 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -133.92 150.88 20.06 Favored Glycine 0 CA--C 1.527 0.828 0 C-N-CA 125.497 1.522 . . . . 0.0 113.414 -172.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 54.9 36.31 26.4 Favored 'General case' 0 CA--C 1.551 0.993 0 O-C-N 122.152 -0.616 . . . . 0.0 110.906 -163.158 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.6 pp -62.11 149.75 85.72 Favored Pre-proline 0 CA--C 1.55 0.959 0 C-N-CA 124.341 1.056 . . . . 0.0 112.549 -166.458 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -65.9 125.0 13.46 Favored 'Trans proline' 0 CA--C 1.538 0.679 0 C-N-CA 123.226 2.617 . . . . 0.0 112.077 -172.044 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.0 t 53.59 -120.18 1.63 Allowed 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.836 1.254 . . . . 0.0 111.64 -171.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 17.7 t-80 -148.84 166.37 28.7 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.861 1.664 . . . . 0.0 110.549 169.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.5 p -148.36 137.02 15.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 124.176 0.99 . . . . 0.0 112.072 -173.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 58.0 m -84.42 154.95 22.49 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.374 1.07 . . . . 0.0 112.391 178.452 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 61.5 p -55.71 -40.07 71.91 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.226 1.01 . . . . 0.0 112.496 174.252 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.96 -38.89 70.97 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.981 1.712 . . . . 0.0 112.999 172.777 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -73.23 -48.78 32.13 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 123.377 0.671 . . . . 0.0 111.959 179.292 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 11.2 m -67.94 -32.99 58.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 CA-C-N 118.717 0.689 . . . . 0.0 112.661 178.54 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 57.6 tt0 -58.79 -49.58 77.16 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 119.476 1.034 . . . . 0.0 111.445 170.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -69.13 -35.34 76.29 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 112.961 0.726 . . . . 0.0 112.961 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.9 tp10 -72.06 -53.21 13.56 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.392 1.077 . . . . 0.0 112.882 -179.685 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 50.4 m-85 -80.62 -19.06 46.25 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 114.66 1.356 . . . . 0.0 114.66 -170.546 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -55.41 -25.82 38.09 Favored 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 115.365 1.617 . . . . 0.0 115.365 -175.775 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.69 -28.54 58.69 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.101 0.961 . . . . 0.0 112.69 178.111 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -83.31 -18.04 40.4 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.252 1.421 . . . . 0.0 113.203 176.451 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 171.0 152.88 8.48 Favored Glycine 0 CA--C 1.529 0.945 0 C-N-CA 125.016 1.293 . . . . 0.0 111.281 173.658 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 54.9 t30 -66.83 115.15 6.28 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 117.669 0.734 . . . . 0.0 110.772 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -78.38 136.15 24.58 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.499 0 C-N-CA 125.58 1.552 . . . . 0.0 111.318 -177.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.9 mp -96.73 -42.03 8.2 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.245 1.018 . . . . 0.0 112.976 175.44 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.421 ' HE3' " H2'" ' B' ' 104' ' ' ' U' . 59.5 tttp -156.41 142.61 18.21 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 126.07 1.748 . . . . 0.0 110.308 179.685 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.3 p -152.38 127.28 9.62 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.75 0.82 . . . . 0.0 111.723 178.428 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -156.18 166.48 33.31 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.732 1.613 . . . . 0.0 111.043 -174.05 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 28.1 t -127.54 126.71 67.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 124.62 1.168 . . . . 0.0 111.242 -174.699 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.65 170.4 8.39 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 126.146 1.778 . . . . 0.0 111.018 176.043 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.86 151.8 39.29 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.498 1.119 . . . . 0.0 112.824 168.443 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 12.8 t -97.32 162.52 13.3 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.786 1.234 . . . . 0.0 112.143 175.569 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 34.3 m -61.89 -23.81 32.45 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 124.961 1.305 . . . . 0.0 113.105 175.008 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 18.5 m -74.71 -1.84 23.68 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.07 1.348 . . . . 0.0 114.025 171.365 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 93.41 -9.05 74.75 Favored Glycine 0 CA--C 1.536 1.387 0 C-N-CA 125.684 1.611 . . . . 0.0 116.373 171.513 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.83 142.8 48.02 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 119.244 1.522 . . . . 0.0 112.5 176.194 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -103.42 151.81 22.35 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.199 1.4 . . . . 0.0 112.037 174.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -140.32 116.62 10.63 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.983 1.313 . . . . 0.0 111.706 -175.319 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -94.76 141.03 29.1 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 123.244 0.618 . . . . 0.0 111.905 176.415 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 43.2 m-85 -131.69 133.39 44.81 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 125.464 1.506 . . . . 0.0 109.805 177.68 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.6 mp -138.41 117.57 14.2 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 125.043 1.337 . . . . 0.0 109.254 -173.8 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -96.81 136.99 36.58 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.548 1.539 . . . . 0.0 113.584 -172.738 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -131.13 157.11 44.01 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.749 1.62 . . . . 0.0 114.358 -170.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -89.78 -9.12 50.43 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 115.182 1.549 . . . . 0.0 115.182 174.566 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -145.17 121.62 11.0 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.85 1.26 . . . . 0.0 112.204 172.122 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.48 -54.67 21.35 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.898 1.279 . . . . 0.0 113.078 -178.035 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.02 -15.26 63.43 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 114.826 1.417 . . . . 0.0 114.826 -176.242 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -80.17 -49.53 11.54 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 123.599 0.76 . . . . 0.0 110.779 169.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.25 -27.09 68.76 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.294 1.038 . . . . 0.0 113.413 175.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -54.91 -29.93 57.21 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.603 1.161 . . . . 0.0 113.619 176.079 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -65.46 -21.78 66.68 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 177.211 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -78.87 -51.0 10.31 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 119.206 0.912 . . . . 0.0 111.456 168.028 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -64.94 -33.98 67.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 123.303 0.641 . . . . 0.0 112.106 -172.601 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.79 -22.79 62.33 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 173.158 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -82.44 -28.92 31.02 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.229 1.411 . . . . 0.0 111.659 171.626 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 9.7 mmpt? -76.58 -5.69 48.79 Favored 'General case' 0 N--CA 1.482 1.174 0 N-CA-C 114.055 1.131 . . . . 0.0 114.055 169.421 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -63.93 169.32 4.34 Favored 'General case' 0 CA--C 1.551 0.984 0 N-CA-C 116.095 1.887 . . . . 0.0 116.095 -164.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 87.36 83.23 1.19 Allowed Glycine 0 CA--C 1.53 1.026 0 C-N-CA 124.964 1.269 . . . . 0.0 111.769 -176.454 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 25.1 p -65.39 152.2 44.45 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 123.866 0.866 . . . . 0.0 112.508 176.496 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -140.05 131.99 27.71 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.099 1.36 . . . . 0.0 111.741 -167.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 5.0 p90 -157.82 176.46 12.54 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 126.243 1.817 . . . . 0.0 111.882 -165.291 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 75.3 mt-10 57.72 23.09 9.11 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 126.242 1.817 . . . . 0.0 115.299 175.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 157.54 -46.02 0.48 Allowed Glycine 0 CA--C 1.528 0.895 0 C-N-CA 125.777 1.656 . . . . 0.0 111.361 177.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -81.65 159.32 24.02 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.243 1.017 . . . . 0.0 110.819 163.371 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.14 100.39 4.85 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.705 1.602 . . . . 0.0 109.672 174.789 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -165.15 85.66 0.4 Allowed 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.62 1.168 . . . . 0.0 109.79 175.768 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 23.7 ttm180 -89.37 129.33 35.91 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 120.579 -1.325 . . . . 0.0 110.81 177.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.0 m -134.71 132.14 54.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 125.466 1.506 . . . . 0.0 109.898 176.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -159.41 154.07 24.39 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.28 1.432 . . . . 0.0 109.542 179.762 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 14.9 p -125.41 126.96 25.04 Favored Pre-proline 0 CA--C 1.543 0.711 0 C-N-CA 123.951 0.9 . . . . 0.0 111.146 -178.228 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -78.2 -30.71 3.27 Favored 'Trans proline' 0 C--N 1.354 0.853 0 C-N-CA 122.88 2.387 . . . . 0.0 112.795 178.295 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 41.3 p90 -82.61 178.35 8.25 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.004 1.322 . . . . 0.0 112.229 170.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -149.02 -165.87 2.4 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 124.65 1.18 . . . . 0.0 110.647 175.393 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.58 148.59 23.61 Favored 'General case' 0 CA--C 1.549 0.924 0 O-C-N 121.395 -0.816 . . . . 0.0 111.353 168.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -136.27 134.59 38.18 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.654 1.182 . . . . 0.0 111.337 -170.008 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 . . . . . 0 C--O 1.252 1.21 0 C-N-CA 127.84 2.456 . . . . 0.0 111.547 -179.833 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 101' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.185 1 O4'-C1'-N19 113.389 5.189 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 102' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.547 2.113 1 O4'-C1'-N19 114.226 6.026 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 103' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.154 0 O3'-P-O5' 97.427 -3.46 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 104' ' ' ' U' . . . . . 0.421 " H2'" ' HE3' ' A' ' 36' ' ' LYS . . . . . . . . 0 O4'--C4' 1.43 -1.938 1 O4'-C1'-N19 114.602 6.402 . 0.014 4n . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 105' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.415 0 C4'-C3'-C2' 99.694 -3.006 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 106' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.663 0 P-O3'-C3' 123.109 2.841 . 0.032 5q . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.603 0 N-CA-C 111.973 -0.451 . . . . 0.0 111.973 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 18.0 m 57.94 27.22 14.4 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 125.734 1.613 . . . . 0.0 115.211 177.28 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -74.58 140.66 44.54 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.277 1.031 . . . . 0.0 111.951 -178.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.9 mtp 50.17 59.63 4.41 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 125.533 1.533 . . . . 0.0 113.86 173.283 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 35.9 m -57.68 147.24 6.38 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 C-N-CA 124.629 1.172 . . . . 0.0 113.249 -178.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 36.7 pt -114.68 -4.41 11.29 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.21 0 N-CA-C 114.615 1.339 . . . . 0.0 114.615 -175.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.32 8.76 4.69 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 125.568 1.547 . . . . 0.0 114.566 -178.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -143.34 31.33 1.36 Allowed 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 125.765 1.626 . . . . 0.0 111.09 178.588 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.3 m -63.8 136.3 57.31 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.526 1.531 . . . . 0.0 112.48 -174.66 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 82.8 t -106.5 117.12 51.68 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 124.493 1.117 . . . . 0.0 110.032 176.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 27.2 p -78.16 131.35 37.16 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.365 1.066 . . . . 0.0 110.734 169.109 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.72 150.44 32.1 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.42 1.088 . . . . 0.0 112.476 176.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.9 mp -69.47 151.82 9.66 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 124.056 0.942 . . . . 0.0 110.147 172.734 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 13.6 t80 -127.15 125.69 41.6 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.434 1.094 . . . . 0.0 110.642 159.578 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.3 m -134.76 136.83 51.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 125.377 1.471 . . . . 0.0 108.738 167.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -153.94 164.48 31.32 Favored Glycine 0 CA--C 1.53 1.028 0 N-CA-C 115.885 1.114 . . . . 0.0 115.885 -165.732 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 56.9 t30 54.53 34.67 21.67 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 126.007 1.723 . . . . 0.0 113.052 -177.317 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.6 mp -72.2 148.46 91.29 Favored Pre-proline 0 CA--C 1.546 0.81 0 C-N-CA 125.121 1.369 . . . . 0.0 112.333 -172.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -65.78 135.43 41.49 Favored 'Trans proline' 0 CA--C 1.538 0.72 0 C-N-CA 122.508 2.139 . . . . 0.0 110.587 167.011 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.4 t 62.7 -32.1 0.1 Allowed 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 127.765 2.426 . . . . 0.0 116.716 -175.65 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . 0.292 0.0 OUTLIER 65.97 148.34 0.04 OUTLIER 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 128.749 2.82 . . . . 0.0 114.978 -173.109 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.7 m -94.82 132.26 39.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 125.257 1.423 . . . . 0.0 112.398 -176.653 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 87.4 p -69.23 168.72 13.55 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.544 1.138 . . . . 0.0 111.791 170.359 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 68.8 p -57.94 -35.99 71.88 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 120.827 -1.171 . . . . 0.0 112.617 173.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.1 tmm_? -66.19 -45.93 79.11 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.494 1.118 . . . . 0.0 112.074 172.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -66.86 -36.51 82.48 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 112.849 0.685 . . . . 0.0 112.849 177.419 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.3 t -59.92 -52.12 64.87 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 123.692 0.797 . . . . 0.0 110.523 171.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 69.3 tt0 -59.31 -47.73 84.28 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 119.394 0.997 . . . . 0.0 111.825 177.625 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -64.93 -39.48 93.57 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 -176.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.4 tp10 -74.05 -50.68 18.6 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 123.557 0.743 . . . . 0.0 112.149 177.604 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -75.2 -12.9 60.39 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 114.181 1.178 . . . . 0.0 114.181 -174.007 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 26.2 mtt-85 -54.79 -27.69 43.54 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 114.756 1.391 . . . . 0.0 114.756 171.037 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.65 -23.57 42.44 Favored 'General case' 0 N--CA 1.483 1.206 0 CA-C-N 119.502 1.046 . . . . 0.0 113.478 174.444 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -78.21 -36.92 46.59 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.996 1.318 . . . . 0.0 110.982 177.384 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -179.89 178.97 48.81 Favored Glycine 0 CA--C 1.536 1.39 0 C-N-CA 124.29 0.947 . . . . 0.0 113.786 178.006 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -77.14 92.73 3.82 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.707 0.803 . . . . 0.0 110.527 174.245 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -59.72 124.27 13.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 124.171 0.989 . . . . 0.0 110.78 178.627 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 39.6 mt -99.32 -33.58 10.66 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.739 0.816 . . . . 0.0 112.427 176.279 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.87 144.18 21.19 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 126.091 1.756 . . . . 0.0 110.089 175.376 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.2 p -150.69 152.77 34.43 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.577 0.751 . . . . 0.0 112.434 174.339 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -157.82 172.3 18.73 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.379 1.071 . . . . 0.0 112.638 -178.679 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.7 p -130.34 140.77 48.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 125.493 1.517 . . . . 0.0 111.524 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 60.9 mmtt -134.34 169.51 17.11 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 126.767 2.027 . . . . 0.0 110.348 -178.239 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.5 152.37 34.11 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.422 1.089 . . . . 0.0 113.553 179.724 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.5 t -95.15 155.83 16.57 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 125.072 1.349 . . . . 0.0 111.82 171.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 35.3 m -61.38 -18.02 17.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 124.777 1.231 . . . . 0.0 113.166 168.675 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.5 t -70.02 -13.17 62.1 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 124.493 1.117 . . . . 0.0 113.355 170.325 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 103.5 -12.43 54.32 Favored Glycine 0 CA--C 1.535 1.322 0 C-N-CA 125.946 1.736 . . . . 0.0 115.731 171.694 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.46 145.64 47.44 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 119.095 1.447 . . . . 0.0 112.216 173.622 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -117.58 156.45 28.08 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.528 1.531 . . . . 0.0 111.401 174.179 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -151.13 140.52 21.44 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 124.107 0.963 . . . . 0.0 112.858 -173.178 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -105.26 147.73 27.75 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.193 1.397 . . . . 0.0 112.313 178.683 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -134.67 137.56 43.69 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 125.725 1.61 . . . . 0.0 110.796 -177.44 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.7 mp -141.04 127.03 19.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 124.631 1.172 . . . . 0.0 110.874 -169.06 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -95.48 131.68 41.39 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 126.35 1.86 . . . . 0.0 111.579 178.37 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -128.39 152.88 47.68 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.188 1.395 . . . . 0.0 113.347 176.565 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 -72.58 -22.1 61.04 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 114.606 1.335 . . . . 0.0 114.606 177.151 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -137.47 112.9 9.34 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.454 1.502 . . . . 0.0 111.989 -177.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.8 -51.24 65.69 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.358 1.063 . . . . 0.0 112.499 179.081 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.63 -20.65 66.39 Favored 'General case' 0 N--CA 1.48 1.048 0 N-CA-C 115.032 1.493 . . . . 0.0 115.032 -177.03 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -74.34 -51.04 16.3 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.278 0.631 . . . . 0.0 110.997 172.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.58 -28.48 66.0 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.4 -38.96 72.23 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.848 0.859 . . . . 0.0 113.252 -177.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -69.41 -30.48 68.45 Favored 'General case' 0 CA--C 1.546 0.811 0 O-C-N 121.312 -0.868 . . . . 0.0 113.162 178.481 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -82.98 -28.49 29.7 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.456 1.102 . . . . 0.0 113.283 176.029 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -80.96 -37.23 15.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 O-C-N 121.267 -0.896 . . . . 0.0 111.672 177.368 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.96 -24.85 66.1 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 114.279 1.214 . . . . 0.0 114.279 -176.134 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -68.2 -11.19 58.85 Favored 'General case' 0 N--CA 1.477 0.886 0 O-C-N 121.11 -0.994 . . . . 0.0 113.285 172.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 68.3 mmtt -99.06 5.68 46.92 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 126.19 1.796 . . . . 0.0 113.383 175.006 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 20.6 p-10 -68.91 174.62 4.27 Favored 'General case' 0 CA--C 1.551 1.018 0 N-CA-C 114.349 1.24 . . . . 0.0 114.349 -176.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 78.2 85.62 0.5 Allowed Glycine 0 CA--C 1.53 0.987 0 C-N-CA 124.786 1.184 . . . . 0.0 111.732 -176.107 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 23.5 p -65.87 133.51 51.07 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-O 121.932 0.872 . . . . 0.0 112.547 -176.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -96.99 137.6 35.82 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.865 1.666 . . . . 0.0 112.055 177.026 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 43.4 p90 -150.91 170.54 19.06 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 126.849 2.06 . . . . 0.0 110.27 178.283 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 46.4 tt0 56.87 75.57 0.35 Allowed 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 125.634 1.574 . . . . 0.0 113.077 -178.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 103.15 -69.74 0.3 Allowed Glycine 0 N--CA 1.47 0.943 0 C-N-CA 125.565 1.555 . . . . 0.0 111.87 -176.295 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -72.49 154.18 40.97 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 117.428 0.614 . . . . 0.0 111.047 167.113 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 8.7 ptpt -151.89 98.94 2.52 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.191 0.996 . . . . 0.0 112.932 -175.631 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.7 mp -154.27 113.33 3.69 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 126.951 2.1 . . . . 0.0 108.043 171.203 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 22.5 ttm-85 -112.43 134.81 53.76 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 119.259 0.936 . . . . 0.0 111.08 176.686 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 89.4 t -144.4 131.35 16.35 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 125.618 1.567 . . . . 0.0 109.26 -174.706 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -154.49 141.47 19.26 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.565 1.146 . . . . 0.0 109.799 172.12 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 7.4 p -113.89 119.69 40.49 Favored Pre-proline 0 CA--C 1.542 0.637 0 C-N-CA 123.891 0.876 . . . . 0.0 110.645 179.527 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -73.17 -25.4 15.94 Favored 'Trans proline' 0 CA--C 1.54 0.8 0 C-N-CA 122.574 2.182 . . . . 0.0 112.903 178.123 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 47.9 p90 -85.56 28.03 0.79 Allowed 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.07 1.348 . . . . 0.0 113.586 173.429 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -53.09 -22.21 5.82 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.902 1.281 . . . . 0.0 114.11 178.078 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -132.96 152.72 51.89 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.277 1.431 . . . . 0.0 110.047 155.263 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 41.2 ttp180 -65.44 -33.31 75.65 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.213 1.005 . . . . 0.0 112.817 -178.607 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 . . . . . 0 C--O 1.254 1.3 0 C-N-CA 126.782 2.033 . . . . 0.0 112.096 -175.422 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 101' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.267 1 O4'-C1'-N19 113.224 5.024 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 102' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.258 0 O4'-C1'-N19 111.911 3.711 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 103' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.541 1 C5'-C4'-C3' 109.184 -4.21 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.311 5 O4'-C1'-N19 119.116 10.916 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 105' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.442 0 O4'-C1'-N19 111.772 3.572 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 106' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.08 0 C5'-C4'-C3' 111.16 -2.894 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.491 0 N-CA-C 111.349 -0.7 . . . . 0.0 111.349 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 93.4 p -156.46 161.75 40.04 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.559 1.544 . . . . 0.0 111.384 178.173 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 79.3 m80 -133.8 51.75 2.11 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.643 1.177 . . . . 0.0 113.267 -167.12 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.9 mtm -123.23 -14.82 7.4 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 115.048 1.499 . . . . 0.0 115.048 179.164 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 35.0 m -83.21 -29.46 8.0 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.151 0 CA-C-N 119.741 1.155 . . . . 0.0 113.794 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . 0.25 9.7 mt 57.21 45.86 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.554 1.1 0 C-N-CA 126.092 1.757 . . . . 0.0 112.62 175.414 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -141.41 81.0 1.76 Allowed 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 126.449 1.9 . . . . 0.0 109.518 169.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -156.74 166.23 33.99 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.749 1.22 . . . . 0.0 112.875 -176.21 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 p -59.0 162.36 4.3 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 127.034 2.134 . . . . 0.0 112.854 167.696 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.586 HG13 ' H ' ' A' ' 8' ' ' SER 0.356 11.7 p -102.8 -101.84 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 O-C-N 121.04 -1.037 . . . . 0.0 113.586 -166.731 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.586 ' H ' HG13 ' A' ' 7' ' ' VAL . 33.5 t -81.49 104.51 11.97 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.848 1.259 . . . . 0.0 110.964 -172.867 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 78.7 mtm180 -123.53 135.27 53.93 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.298 1.439 . . . . 0.0 113.78 -167.558 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.619 HD11 ' CE2' ' A' ' 53' ' ' PHE . 34.6 mt -80.45 148.45 5.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 C-N-CA 125.419 1.487 . . . . 0.0 110.224 168.341 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -123.25 133.69 54.17 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.166 0.986 . . . . 0.0 111.021 158.467 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.7 t -128.86 139.31 52.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 126.313 1.845 . . . . 0.0 107.16 170.011 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -147.04 159.2 27.96 Favored Glycine 0 CA--C 1.526 0.77 0 CA-C-N 119.478 1.036 . . . . 0.0 115.456 -171.752 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 10.9 m120 55.19 20.5 3.44 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 125.572 1.549 . . . . 0.0 113.248 -172.653 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.2 pp -67.75 148.91 98.47 Favored Pre-proline 0 CA--C 1.547 0.86 0 C-N-CA 125.471 1.508 . . . . 0.0 112.619 -168.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -68.11 132.8 27.04 Favored 'Trans proline' 0 CA--C 1.538 0.714 0 C-N-CA 123.189 2.593 . . . . 0.0 111.989 -178.676 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.7 t 55.99 -159.02 0.22 Allowed 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 125.113 1.365 . . . . 0.0 112.815 -173.647 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 23.6 t60 -127.48 87.99 2.72 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.525 1.53 . . . . 0.0 110.067 178.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.4 m -63.96 144.66 14.45 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 124.633 1.173 . . . . 0.0 113.403 -170.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.9 m -83.24 140.49 32.49 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.268 1.027 . . . . 0.0 112.353 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 30.3 t -50.03 -52.86 30.9 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.423 1.489 . . . . 0.0 113.842 -173.541 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.49 -18.65 65.48 Favored 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 114.833 1.42 . . . . 0.0 114.833 -178.815 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -77.47 -46.08 23.64 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 118.503 0.592 . . . . 0.0 110.524 176.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -75.03 -28.71 21.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 123.173 0.589 . . . . 0.0 111.943 177.799 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.76 -42.75 75.9 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 121.203 -0.935 . . . . 0.0 111.58 170.208 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 47.7 m-80 -72.5 -14.55 61.69 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 114.521 1.304 . . . . 0.0 114.521 177.209 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.6 tp10 -81.71 -46.51 14.18 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 119.261 0.937 . . . . 0.0 111.301 165.547 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -77.99 -28.1 49.21 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 115.277 1.584 . . . . 0.0 115.277 -173.608 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -55.59 -24.21 31.57 Favored 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 115.584 1.698 . . . . 0.0 115.584 -174.193 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.07 -9.95 59.01 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 114.903 1.446 . . . . 0.0 114.903 176.127 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 74.1 m-85 -103.89 6.65 36.56 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 125.225 1.41 . . . . 0.0 113.097 175.609 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 135.21 169.95 12.01 Favored Glycine 0 CA--C 1.532 1.133 0 C-N-CA 125.849 1.69 . . . . 0.0 112.646 -178.177 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -66.61 130.75 44.21 Favored 'General case' 0 CA--C 1.538 0.503 0 O-C-N 121.594 -0.945 . . . . 0.0 110.83 174.09 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -88.96 136.23 23.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.413 0 C-N-CA 125.291 1.436 . . . . 0.0 109.707 167.585 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -99.36 -34.01 10.47 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.784 0.834 . . . . 0.0 112.934 -178.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.9 tmtm? -157.35 138.18 13.28 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 126.474 1.91 . . . . 0.0 108.997 -174.427 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 44.2 t -147.8 118.85 7.69 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.394 1.077 . . . . 0.0 110.32 -178.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -151.72 157.93 42.7 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 124.972 1.309 . . . . 0.0 112.111 179.464 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 15.5 t -129.36 127.92 65.74 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 124.308 1.043 . . . . 0.0 110.387 -171.523 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.483 ' HE3' ' CD1' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -113.51 174.5 5.89 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 127.011 2.124 . . . . 0.0 111.042 -174.955 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.7 152.43 36.63 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.064 0.946 . . . . 0.0 113.465 173.456 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.5 t -91.47 158.09 16.68 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.797 1.239 . . . . 0.0 111.591 170.219 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 34.9 m -61.1 -19.42 19.99 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 124.909 1.283 . . . . 0.0 113.155 169.564 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 12.2 t -71.1 -11.69 61.09 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 124.612 1.165 . . . . 0.0 113.389 170.73 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 100.6 -10.68 59.33 Favored Glycine 0 CA--C 1.538 1.522 0 C-N-CA 125.89 1.71 . . . . 0.0 115.87 172.469 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.26 138.08 47.21 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 119.038 1.419 . . . . 0.0 112.234 174.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -97.88 152.27 19.38 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.817 1.247 . . . . 0.0 111.998 172.756 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -139.84 124.3 18.09 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 124.938 1.295 . . . . 0.0 112.097 -177.609 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -97.66 136.7 37.65 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.624 0.77 . . . . 0.0 111.56 176.442 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.483 ' CD1' ' HE3' ' A' ' 40' ' ' LYS . 43.0 m-85 -131.98 129.33 40.01 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.181 1.393 . . . . 0.0 110.788 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.5 mp -141.68 128.04 19.5 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 C-N-CA 124.61 1.164 . . . . 0.0 110.311 -168.075 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -86.49 132.47 33.92 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 119.023 0.829 . . . . 0.0 112.656 170.724 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.619 ' CE2' HD11 ' A' ' 10' ' ' ILE . 1.9 m-85 -111.72 154.17 25.38 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 126.109 1.764 . . . . 0.0 112.586 172.807 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -76.71 -21.23 55.63 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 114.364 1.246 . . . . 0.0 114.364 173.47 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -148.78 131.49 15.96 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 119.19 0.905 . . . . 0.0 113.379 -172.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.47 -55.65 5.34 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 113.665 0.987 . . . . 0.0 113.665 -172.444 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.446 ' H ' ' HD2' ' A' ' 57' ' ' ARG . 0.7 OUTLIER -68.01 -24.21 65.09 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 114.517 1.303 . . . . 0.0 114.517 -173.886 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -75.12 -46.33 35.13 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.435 0.694 . . . . 0.0 110.761 172.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.32 -23.9 66.44 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 114.255 1.206 . . . . 0.0 114.255 174.571 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.56 -28.46 65.54 Favored 'General case' 0 CA--C 1.546 0.8 0 O-C-N 121.278 -0.889 . . . . 0.0 113.297 176.301 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -70.2 -19.23 63.18 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 174.329 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -73.72 -56.16 5.34 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 119.171 0.896 . . . . 0.0 111.124 172.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -60.4 -39.52 81.29 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 O-C-N 121.483 -0.76 . . . . 0.0 112.655 -175.036 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.83 -9.2 26.68 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 114.71 1.374 . . . . 0.0 114.71 176.383 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.15 -23.08 16.92 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 125.738 1.615 . . . . 0.0 112.492 170.791 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -98.14 -16.56 19.47 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 125.616 1.567 . . . . 0.0 114.728 178.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 40.8 p-10 -67.76 -179.32 1.11 Allowed 'General case' 0 CA--C 1.551 0.994 0 N-CA-C 115.834 1.791 . . . . 0.0 115.834 -170.068 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 89.76 81.69 1.34 Allowed Glycine 0 CA--C 1.528 0.862 0 C-N-CA 125.667 1.603 . . . . 0.0 110.599 -171.607 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 22.3 p -68.52 123.18 20.13 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-O 121.646 0.736 . . . . 0.0 112.71 -172.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -100.45 140.88 34.08 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 126.691 1.996 . . . . 0.0 112.167 176.724 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 5.5 p90 -154.58 169.79 23.02 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 126.397 1.879 . . . . 0.0 111.197 -179.014 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 72.8 mt-10 60.55 18.86 8.72 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 126.173 1.789 . . . . 0.0 115.517 177.083 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 175.13 -77.18 0.08 OUTLIER Glycine 0 CA--C 1.528 0.873 0 C-N-CA 124.937 1.256 . . . . 0.0 110.883 175.635 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -67.45 156.45 36.58 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 122.874 0.469 . . . . 0.0 110.615 159.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 8.6 ptpt -147.47 89.77 1.81 Allowed 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.421 1.088 . . . . 0.0 112.364 -174.232 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.8 mp -149.09 114.77 5.63 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 126.439 1.895 . . . . 0.0 108.097 173.753 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 14.3 ttm180 -125.25 138.15 54.1 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.254 1.022 . . . . 0.0 110.556 175.401 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.2 t -143.92 132.21 18.6 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 124.812 1.245 . . . . 0.0 109.148 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -154.96 138.95 16.37 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 123.927 0.891 . . . . 0.0 110.211 177.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 37.6 t -124.54 117.14 26.48 Favored Pre-proline 0 CA--C 1.538 0.501 0 C-N-CA 123.371 0.668 . . . . 0.0 110.216 -175.44 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -68.63 -24.67 35.18 Favored 'Trans proline' 0 CA--C 1.542 0.912 0 C-N-CA 122.887 2.391 . . . . 0.0 113.728 -179.506 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 12.6 p90 -83.12 4.49 26.2 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 115.027 1.492 . . . . 0.0 115.027 178.459 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -73.19 45.17 0.16 Allowed 'General case' 0 CA--C 1.555 1.164 0 C-N-CA 126.402 1.881 . . . . 0.0 115.345 -167.595 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -154.03 -57.8 0.12 Allowed 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.555 1.542 . . . . 0.0 112.087 172.675 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 54.46 22.63 3.98 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 126.598 1.959 . . . . 0.0 114.257 -174.74 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 67.6 mt-10 . . . . . 0 C--O 1.252 1.228 0 C-N-CA 127.041 2.136 . . . . 0.0 112.28 -177.82 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 101' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.222 1 O4'-C1'-N19 113.15 4.95 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 102' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.65 0 O4'-C1'-N19 111.179 2.979 . 0.099 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 103' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.069 1 O4'-C1'-N19 115.738 7.538 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.376 1 O4'-C1'-N19 113.814 5.614 . 0.01 4g . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 105' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.271 0 O4'-C1'-N19 110.14 1.94 . 0.574 5d . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 106' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.144 0 O4'-C1'-N19 110.806 2.606 . 0.112 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.492 0 N-CA-C 111.987 -0.445 . . . . 0.0 111.987 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 36.7 t -152.36 109.97 3.61 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.57 1.148 . . . . 0.0 110.588 176.514 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 77.4 m80 -146.53 -56.5 0.27 Allowed 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.854 1.262 . . . . 0.0 112.69 -174.208 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.8 ptp -162.78 -178.85 6.41 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 126.455 1.902 . . . . 0.0 110.469 -172.504 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.6 p -144.41 120.66 4.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 CA-C-O 121.929 0.871 . . . . 0.0 111.261 164.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 9.5 tp -77.64 160.4 4.72 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.846 0 C-N-CA 125.422 1.489 . . . . 0.0 111.968 -179.393 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.41 157.27 37.41 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.843 1.257 . . . . 0.0 111.354 176.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 57.04 -160.82 0.22 Allowed 'General case' 0 CA--C 1.554 1.109 0 C-N-CA 124.978 1.311 . . . . 0.0 111.457 -170.779 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.5 m -82.42 -71.9 0.47 Allowed 'General case' 0 N--CA 1.473 0.707 0 O-C-N 120.396 -1.44 . . . . 0.0 111.723 167.758 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . 0.279 2.5 m 54.49 140.95 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.486 1.333 0 C-N-CA 128.509 2.723 . . . . 0.0 115.09 -171.29 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.1 t -81.58 161.97 23.32 Favored 'General case' 0 N--CA 1.467 0.423 0 O-C-N 120.439 -1.413 . . . . 0.0 112.277 172.371 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.77 125.54 11.89 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 127.225 2.21 . . . . 0.0 108.76 -169.14 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -144.25 135.97 22.01 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 125.25 1.42 . . . . 0.0 110.337 171.867 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -128.74 136.01 49.98 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 126.265 1.826 . . . . 0.0 108.772 166.002 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.4 m -120.17 91.23 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 124.699 1.2 . . . . 0.0 109.946 179.324 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -76.4 138.35 22.39 Favored Glycine 0 CA--C 1.526 0.725 0 C-N-CA 125.309 1.433 . . . . 0.0 113.822 -176.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.5 m120 60.78 26.49 16.3 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.749 1.62 . . . . 0.0 113.799 173.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -58.38 142.74 81.44 Favored Pre-proline 0 CA--C 1.552 1.035 0 C-N-CA 124.41 1.084 . . . . 0.0 112.962 -174.204 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -69.16 111.09 2.59 Favored 'Trans proline' 0 CA--C 1.54 0.801 0 C-N-CA 123.196 2.598 . . . . 0.0 111.351 -178.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.7 t 61.86 130.4 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 127.448 2.299 . . . . 0.0 114.08 -167.53 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 25.7 p80 -69.59 143.81 53.21 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 120.888 -1.133 . . . . 0.0 111.494 178.03 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 13.4 p -106.55 142.91 18.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.825 0 C-N-CA 124.775 1.23 . . . . 0.0 112.705 -163.477 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.2 m -69.9 148.29 49.18 Favored 'General case' 0 N--CA 1.474 0.766 0 O-C-N 121.33 -0.856 . . . . 0.0 112.088 176.23 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 71.1 p -60.25 -39.71 87.72 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.811 0.844 . . . . 0.0 112.752 179.46 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -60.68 -39.29 87.89 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.23 1.012 . . . . 0.0 112.36 172.151 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -68.11 -44.36 76.34 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 118.541 0.61 . . . . 0.0 111.481 -177.249 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 18.8 m -68.67 -36.69 75.58 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 CA-C-N 119.004 0.82 . . . . 0.0 112.258 172.774 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 50.6 tt0 -61.55 -37.99 85.84 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 119.544 1.066 . . . . 0.0 112.394 174.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -79.54 -31.91 42.12 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 123.9 0.88 . . . . 0.0 112.971 177.23 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -86.06 -55.45 3.93 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.852 0.861 . . . . 0.0 113.29 -176.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -71.71 -22.84 61.58 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 -172.239 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 -57.81 -18.95 25.15 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 114.882 1.438 . . . . 0.0 114.882 178.688 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.03 -35.5 78.75 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.78 1.232 . . . . 0.0 111.486 175.443 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.447 ' CD1' ' HB2' ' A' ' 62' ' ' ALA . 49.7 m-85 -81.47 -30.48 33.37 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.041 0.936 . . . . 0.0 113.295 -178.029 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -175.22 160.36 29.05 Favored Glycine 0 CA--C 1.534 1.25 0 C-N-CA 124.65 1.119 . . . . 0.0 113.02 176.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -67.63 112.7 4.91 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 121.673 -0.898 . . . . 0.0 111.348 -179.331 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -75.17 131.41 35.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 126.198 1.799 . . . . 0.0 113.051 -176.203 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -97.88 -40.97 8.24 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.595 1.158 . . . . 0.0 112.276 171.09 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.439 ' HE2' ' C6 ' ' B' ' 104' ' ' ' U' . 0.0 OUTLIER -149.36 147.72 28.64 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.933 1.293 . . . . 0.0 111.502 -178.056 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 26.4 p -149.15 147.65 28.71 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.194 1.398 . . . . 0.0 110.627 173.542 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -165.34 159.23 16.96 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.909 0.884 . . . . 0.0 112.631 172.228 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 77.7 t -98.49 136.27 30.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 124.345 1.058 . . . . 0.0 110.477 167.601 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.426 ' HA ' ' HE2' ' A' ' 40' ' ' LYS . 11.4 mmpt? -115.86 162.18 17.71 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 127.222 2.209 . . . . 0.0 110.384 174.312 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -145.04 157.81 44.01 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.97 1.708 . . . . 0.0 110.911 -169.046 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.0 t -133.34 155.99 48.44 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.448 1.099 . . . . 0.0 112.216 177.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 83.8 t -60.43 -25.28 33.8 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 125.53 1.532 . . . . 0.0 111.742 173.063 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.1 t -66.98 -12.15 58.92 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 124.743 1.217 . . . . 0.0 113.843 171.788 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 94.11 -6.24 72.33 Favored Glycine 0 CA--C 1.535 1.308 0 C-N-CA 125.951 1.739 . . . . 0.0 115.752 174.571 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.8 159.02 35.05 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 118.658 1.229 . . . . 0.0 113.005 174.254 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -131.65 149.91 52.33 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 125.861 1.664 . . . . 0.0 111.112 177.478 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -153.76 131.22 11.33 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.417 0.687 . . . . 0.0 111.664 -176.503 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -92.67 146.21 23.83 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.906 -0.496 . . . . 0.0 111.712 169.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -128.28 132.01 48.7 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 126.834 2.054 . . . . 0.0 109.316 177.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.7 mp -138.92 144.59 29.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 124.645 1.178 . . . . 0.0 110.729 -179.538 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -122.71 128.48 50.61 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.954 1.702 . . . . 0.0 111.683 177.684 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -111.84 159.32 18.44 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.228 1.011 . . . . 0.0 112.947 172.584 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 48.6 tt0 -64.94 -42.25 94.82 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 114.423 1.268 . . . . 0.0 114.423 -177.255 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 -114.78 126.27 54.64 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.039 1.335 . . . . 0.0 112.213 -177.32 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.48 -53.2 17.23 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.505 0.722 . . . . 0.0 112.628 179.498 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.47 -20.71 64.63 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 114.943 1.461 . . . . 0.0 114.943 -172.727 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -70.34 -44.61 67.85 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.54 0.736 . . . . 0.0 111.065 172.592 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -90.53 -7.6 52.49 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 114.885 1.439 . . . . 0.0 114.885 -178.505 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.17 -27.53 63.92 Favored 'General case' 0 CA--C 1.545 0.774 0 O-C-N 120.771 -1.206 . . . . 0.0 112.723 175.008 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -64.48 -20.65 66.32 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 114.193 1.182 . . . . 0.0 114.193 171.426 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.447 ' HB2' ' CD1' ' A' ' 31' ' ' TYR . . . -74.52 -53.43 9.48 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.578 0.751 . . . . 0.0 110.824 167.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 8.4 mm -52.48 -44.89 45.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 124.326 1.05 . . . . 0.0 111.421 -178.433 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.39 3.56 2.89 Favored 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 115.797 1.777 . . . . 0.0 115.797 178.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -130.78 -13.76 3.65 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 115.226 1.565 . . . . 0.0 115.226 163.437 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.3 mmpt? -75.84 -25.27 56.09 Favored 'General case' 0 N--CA 1.482 1.125 0 CA-C-N 120.084 1.311 . . . . 0.0 111.963 166.263 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 50.3 p-10 -65.17 179.3 0.74 Allowed 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 125.457 1.503 . . . . 0.0 113.826 176.072 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 80.31 54.02 3.93 Favored Glycine 0 CA--C 1.532 1.143 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -166.729 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 25.0 p -58.17 151.13 19.75 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.064 1.346 . . . . 0.0 112.84 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -147.75 150.55 34.48 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.071 0.948 . . . . 0.0 112.556 -176.569 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -153.01 179.54 8.6 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.159 1.383 . . . . 0.0 111.801 -166.154 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 60.01 16.58 5.96 Favored 'General case' 0 N--CA 1.483 1.185 0 N-CA-C 115.44 1.644 . . . . 0.0 115.44 176.27 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 177.11 -58.74 0.1 OUTLIER Glycine 0 CA--C 1.529 0.91 0 C-N-CA 125.277 1.417 . . . . 0.0 111.064 178.339 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -78.99 159.26 27.73 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.846 0.858 . . . . 0.0 110.613 160.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.1 80.97 1.89 Allowed 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 125.692 1.597 . . . . 0.0 110.417 -175.162 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.2 mt -153.29 101.42 2.53 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.099 1.359 . . . . 0.0 110.287 177.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 13.6 ttm180 -108.69 136.65 47.91 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.657 1.183 . . . . 0.0 110.528 170.605 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 90.1 t -138.8 132.31 39.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 124.522 1.129 . . . . 0.0 110.334 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -159.51 156.9 29.0 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 126.116 1.766 . . . . 0.0 109.646 -179.123 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 25.5 m -79.29 116.76 62.82 Favored Pre-proline 0 N--CA 1.476 0.854 0 C-N-CA 123.774 0.83 . . . . 0.0 110.882 173.238 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -78.83 -44.87 0.13 Allowed 'Trans proline' 0 C--N 1.352 0.741 0 C-N-CA 122.502 2.135 . . . . 0.0 114.013 -173.089 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -82.81 -29.93 29.16 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 113.191 0.811 . . . . 0.0 113.191 -174.006 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 66.2 t30 59.2 132.64 0.01 OUTLIER 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 128.753 2.821 . . . . 0.0 115.67 -172.131 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -159.12 -100.05 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.956 1.303 . . . . 0.0 111.723 178.253 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 17.0 mmp_? -71.68 153.31 42.14 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.935 1.294 . . . . 0.0 111.902 173.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 . . . . . 0 C--O 1.254 1.297 0 C-N-CA 127.09 2.156 . . . . 0.0 113.263 -177.571 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 101' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.176 1 O4'-C1'-N19 113.634 5.434 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 102' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.846 1 O4'-C1'-N19 113.979 5.779 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 103' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.718 0 O4'-C1'-N19 111.379 3.179 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 104' ' ' ' U' . . . . . 0.439 ' C6 ' ' HE2' ' A' ' 36' ' ' LYS . . . . . . . . 0 O4'--C4' 1.424 -2.451 4 O4'-C1'-N19 115.051 6.851 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 105' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.224 0 C4'-C3'-C2' 100.231 -2.469 . 0.318 5d . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 106' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.073 0 C5'-C4'-C3' 111.43 -2.713 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.568 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 20.3 m -68.7 -58.27 4.48 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.915 0.886 . . . . 0.0 113.182 -172.626 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 31.5 m80 -141.23 9.85 2.1 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.937 1.295 . . . . 0.0 114.225 -173.268 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mpt? 60.77 159.41 0.04 OUTLIER 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 127.806 2.442 . . . . 0.0 115.077 -172.557 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 9.6 p -123.36 -18.38 4.26 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 C-N-CA 125.266 1.426 . . . . 0.0 113.689 -174.354 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.8 mp -75.47 126.9 36.76 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 124.307 1.043 . . . . 0.0 110.219 178.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -98.45 -6.82 29.7 Favored 'General case' 0 N--CA 1.481 1.107 0 N-CA-C 114.987 1.477 . . . . 0.0 114.987 -176.261 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -120.22 104.25 9.91 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.752 1.221 . . . . 0.0 111.376 -175.023 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.1 t -164.82 176.13 9.01 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 126.61 1.964 . . . . 0.0 110.492 177.438 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 25.1 m -128.03 132.6 68.44 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 125.153 1.381 . . . . 0.0 110.515 170.773 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 35.5 t -85.64 164.62 17.59 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 124.272 1.029 . . . . 0.0 111.422 176.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -145.38 165.04 29.65 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.704 1.202 . . . . 0.0 112.751 -179.165 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.3 mp -120.74 127.21 75.91 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 C-N-CA 123.805 0.842 . . . . 0.0 108.925 156.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -89.61 127.65 35.93 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.301 0.64 . . . . 0.0 109.574 160.439 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.9 p -137.35 126.27 34.83 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 C-N-CA 123.278 0.631 . . . . 0.0 110.489 167.147 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -128.25 170.48 19.61 Favored Glycine 0 CA--C 1.525 0.717 0 C-N-CA 125.907 1.718 . . . . 0.0 113.089 -175.153 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 26.0 m120 51.31 32.19 8.02 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 124.515 1.126 . . . . 0.0 112.532 -175.737 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.3 pp -66.44 154.54 90.59 Favored Pre-proline 0 CA--C 1.548 0.899 0 C-N-CA 125.33 1.452 . . . . 0.0 113.741 -165.368 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -74.83 139.2 24.47 Favored 'Trans proline' 0 CA--C 1.537 0.631 0 C-N-CA 123.009 2.472 . . . . 0.0 111.959 -176.03 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 49.9 m 48.69 -113.78 0.6 Allowed 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 125.284 1.434 . . . . 0.0 111.661 -178.244 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 59.2 t60 -149.69 115.48 5.62 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.442 1.097 . . . . 0.0 109.7 164.096 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 27.1 m -79.98 138.17 20.33 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 123.397 0.679 . . . . 0.0 112.423 -174.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.4 m -79.95 133.96 36.23 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.91 0.884 . . . . 0.0 110.754 169.696 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 79.4 p -57.15 -34.52 68.5 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 113.755 1.02 . . . . 0.0 113.755 -173.216 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.26 -33.88 76.24 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.621 1.168 . . . . 0.0 113.048 179.006 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -75.16 -39.49 60.3 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.598 0.759 . . . . 0.0 111.626 -176.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -73.49 -33.47 39.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 O-C-N 121.868 -0.52 . . . . 0.0 111.199 175.041 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -56.24 -44.9 80.1 Favored 'General case' 0 CA--C 1.54 0.586 0 O-C-N 121.185 -0.947 . . . . 0.0 111.533 167.543 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -64.2 -30.26 71.33 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 112.875 0.694 . . . . 0.0 112.875 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -70.45 -49.44 48.61 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.228 1.011 . . . . 0.0 111.668 170.055 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -73.59 -34.72 65.23 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 114.875 1.435 . . . . 0.0 114.875 -173.621 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.0 ptp180 -58.05 -20.12 36.8 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 115.943 1.831 . . . . 0.0 115.943 -167.711 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.23 -30.73 68.94 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-N 119.211 0.914 . . . . 0.0 112.967 176.853 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -77.64 -19.85 54.78 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.69 1.196 . . . . 0.0 113.329 178.23 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 161.4 159.27 9.94 Favored Glycine 0 CA--C 1.532 1.112 0 C-N-CA 126.131 1.824 . . . . 0.0 110.551 -178.665 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -64.85 139.27 58.74 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 117.939 0.869 . . . . 0.0 111.393 179.384 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -98.13 132.96 42.01 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 C-N-CA 125.416 1.486 . . . . 0.0 109.215 171.582 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -84.04 -44.93 13.61 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 124.792 1.237 . . . . 0.0 111.266 -179.283 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.75 162.71 40.47 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.222 1.409 . . . . 0.0 112.722 174.5 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 42.0 t -139.68 149.83 44.16 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.814 1.646 . . . . 0.0 110.473 178.676 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -156.15 161.67 40.31 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.157 1.383 . . . . 0.0 111.732 175.123 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.4 p -143.01 136.75 26.24 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 124.874 1.27 . . . . 0.0 111.947 178.259 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.4 160.36 26.99 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 127.243 2.217 . . . . 0.0 110.601 -174.557 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.07 154.19 42.96 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.974 1.31 . . . . 0.0 112.664 176.362 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 31.0 p -109.94 163.48 13.51 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.047 1.339 . . . . 0.0 111.976 179.171 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 34.6 m -65.72 -16.28 20.16 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.165 0 N-CA-C 113.457 0.91 . . . . 0.0 113.457 174.815 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.7 t -72.84 -15.49 61.62 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.836 1.254 . . . . 0.0 112.932 170.112 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 91.81 1.69 70.36 Favored Glycine 0 CA--C 1.537 1.429 0 C-N-CA 125.545 1.545 . . . . 0.0 114.642 -178.547 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.06 154.53 39.17 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 118.492 1.146 . . . . 0.0 111.399 170.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -139.99 149.95 43.87 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.462 1.105 . . . . 0.0 112.487 -179.387 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -145.93 127.38 15.01 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 125.59 1.556 . . . . 0.0 110.37 -168.02 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -109.54 143.38 39.29 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-O 121.87 0.843 . . . . 0.0 111.984 176.799 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -126.69 119.45 27.0 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 126.187 1.795 . . . . 0.0 108.048 -177.039 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.9 mp -133.45 135.59 55.8 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 C-N-CA 124.362 1.065 . . . . 0.0 108.904 -169.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -109.79 112.48 24.56 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.441 1.097 . . . . 0.0 112.454 -173.64 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -89.36 155.15 19.53 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 126.4 1.88 . . . . 0.0 112.693 176.483 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 54.0 tt0 -73.79 -43.33 59.23 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 114.013 1.116 . . . . 0.0 114.013 173.744 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -131.4 109.94 10.69 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.701 1.2 . . . . 0.0 113.211 -169.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.27 -35.16 80.16 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 178.635 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 47.6 ttt85 -68.36 -42.16 79.59 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.351 1.06 . . . . 0.0 112.527 179.129 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -75.77 -42.33 50.63 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.251 0.62 . . . . 0.0 111.552 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -76.21 -0.67 23.05 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 115.088 1.514 . . . . 0.0 115.088 176.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.54 -31.63 66.27 Favored 'General case' 0 CA--C 1.543 0.674 0 O-C-N 121.14 -0.975 . . . . 0.0 112.605 178.164 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -62.67 -39.13 92.98 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 113.03 0.752 . . . . 0.0 113.03 174.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.96 -46.91 76.38 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 119.036 0.835 . . . . 0.0 111.207 173.517 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 20.1 mm -59.3 -44.01 91.27 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.593 0 C-N-CA 123.78 0.832 . . . . 0.0 111.262 179.688 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.13 -29.77 34.71 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 114.642 1.349 . . . . 0.0 114.642 -178.42 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.85 -34.58 51.7 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 120.559 1.527 . . . . 0.0 112.542 177.268 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -78.98 2.3 20.86 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 125.009 1.324 . . . . 0.0 113.861 174.521 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -68.36 176.83 2.61 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 114.75 1.389 . . . . 0.0 114.75 -173.546 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 77.52 76.4 0.88 Allowed Glycine 0 CA--C 1.53 1.028 0 C-N-CA 124.25 0.929 . . . . 0.0 112.064 179.575 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 26.1 p -60.11 148.66 35.14 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 123.797 0.839 . . . . 0.0 112.646 178.239 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -145.2 155.06 43.04 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.116 1.366 . . . . 0.0 111.572 -174.36 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -157.81 179.86 8.8 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.117 1.367 . . . . 0.0 111.442 -169.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 59.73 20.66 9.4 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 125.737 1.615 . . . . 0.0 115.063 178.633 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 166.99 -29.92 0.18 Allowed Glycine 0 CA--C 1.534 1.272 0 C-N-CA 124.704 1.145 . . . . 0.0 114.146 179.693 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -113.7 140.92 47.85 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.306 1.443 . . . . 0.0 111.137 174.639 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.75 60.01 0.74 Allowed 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 126.501 1.921 . . . . 0.0 111.188 -174.339 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 10.9 mt -146.1 104.39 3.82 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.581 1.153 . . . . 0.0 111.967 -177.587 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 55.5 ttm-85 -120.84 124.36 44.85 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.815 1.246 . . . . 0.0 109.802 165.641 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 92.3 t -137.77 142.25 36.77 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 125.918 1.687 . . . . 0.0 109.283 178.188 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.3 179.11 8.18 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 124.045 0.938 . . . . 0.0 112.06 -174.653 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -49.65 153.15 2.13 Favored Pre-proline 0 N--CA 1.481 1.111 0 C-N-CA 126.883 2.073 . . . . 0.0 113.834 -179.55 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -66.55 46.23 0.23 Allowed 'Trans proline' 0 CA--C 1.554 1.525 1 C-N-CA 126.421 4.747 . . . . 0.0 115.569 179.015 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 54.38 22.73 3.95 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 126.988 2.115 . . . . 0.0 114.633 -178.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 15.2 m120 59.75 104.07 0.02 OUTLIER 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 127.311 2.244 . . . . 0.0 112.834 -168.222 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -139.7 173.09 11.89 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.539 1.535 . . . . 0.0 112.449 -173.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 48.7 ttt-85 60.27 30.83 20.17 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 126.048 1.739 . . . . 0.0 113.681 -178.293 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 62.9 tt0 . . . . . 0 C--O 1.252 1.224 0 C-N-CA 127.209 2.204 . . . . 0.0 111.883 178.395 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 101' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.456 0 O4'-C1'-N19 111.895 3.695 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 102' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.068 1 O4'-C1'-N19 114.494 6.294 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 103' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.781 2 O4'-C1'-N19 113.236 5.036 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.107 1 O4'-C1'-N19 114.64 6.44 . 0.104 4n . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 105' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.29 0 O4'-C1'-N19 111.852 3.652 . 0.471 5p . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 106' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.724 0 P-O3'-C3' 123.463 3.135 . 0.518 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.534 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 19.3 m -67.27 167.58 12.07 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 125.123 1.369 . . . . 0.0 113.489 176.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . 0.447 ' CG ' ' H ' ' A' ' 1' ' ' MET . 53.5 t60 65.36 176.25 0.21 Allowed 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 127.049 2.14 . . . . 0.0 114.369 179.676 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.447 ' H ' ' CG ' ' A' ' 0' ' ' HIS . 27.5 ttt -63.21 97.05 0.11 Allowed 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.877 1.671 . . . . 0.0 111.838 -178.281 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 8.0 p -78.84 -28.78 14.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 C-N-CA 124.893 1.277 . . . . 0.0 113.926 -171.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 15.3 mt 56.92 80.04 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 126.848 2.059 . . . . 0.0 111.856 -177.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 59.36 -172.61 0.11 Allowed 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 126.142 1.777 . . . . 0.0 112.893 -174.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 58.29 -178.78 0.07 Allowed 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 125.873 1.669 . . . . 0.0 113.871 -172.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.0 t 60.94 179.87 0.11 Allowed 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.857 1.663 . . . . 0.0 113.619 -167.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 6.9 t -137.86 125.13 29.13 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 125.149 1.379 . . . . 0.0 109.754 179.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.1 t -70.21 150.7 46.17 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.812 0.845 . . . . 0.0 112.328 -179.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.1 mtt180 -143.57 162.36 36.1 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.673 1.189 . . . . 0.0 111.284 176.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 31.6 mm -104.4 141.94 18.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 C-N-CA 125.741 1.616 . . . . 0.0 109.062 165.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -114.94 132.05 56.69 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.204 1.001 . . . . 0.0 110.28 161.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.2 p -124.08 137.69 56.23 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 C-N-CA 125.613 1.565 . . . . 0.0 109.22 169.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -138.28 172.45 22.96 Favored Glycine 0 CA--C 1.523 0.593 0 C-N-CA 126.086 1.803 . . . . 0.0 111.989 -178.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 55.7 m-20 48.36 35.41 5.68 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 123.736 0.814 . . . . 0.0 111.299 -170.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.6 pp -68.39 150.8 97.57 Favored Pre-proline 0 CA--C 1.547 0.853 0 O-C-N 121.308 -0.87 . . . . 0.0 112.897 -165.133 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -63.69 125.16 14.93 Favored 'Trans proline' 0 CA--C 1.537 0.645 0 C-N-CA 123.147 2.565 . . . . 0.0 111.586 -177.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.3 m 49.66 -104.1 0.13 Allowed 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 126.049 1.74 . . . . 0.0 112.586 -175.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 34.6 p-80 -153.84 118.37 4.91 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.88 1.672 . . . . 0.0 109.408 173.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 34.6 m -85.5 148.33 4.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 123.688 0.795 . . . . 0.0 111.623 176.081 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 73.4 m -90.03 138.67 31.31 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.435 0.694 . . . . 0.0 109.798 161.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 63.9 p -55.45 -36.37 66.48 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.248 1.019 . . . . 0.0 113.197 -179.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.404 ' H ' ' HD3' ' A' ' 22' ' ' ARG . 0.4 OUTLIER -66.23 -33.12 75.03 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.54 1.536 . . . . 0.0 113.193 176.55 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -73.02 -42.32 63.32 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.247 0.619 . . . . 0.0 111.716 -179.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -73.84 -31.71 32.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 O-C-N 121.931 -0.48 . . . . 0.0 111.661 177.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -55.78 -41.21 73.73 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.825 0.85 . . . . 0.0 111.797 168.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -63.08 -23.0 67.24 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 123.739 0.816 . . . . 0.0 112.877 177.44 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 50.1 tt0 -89.64 -49.84 6.42 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.356 1.062 . . . . 0.0 112.379 173.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -67.6 -27.98 67.36 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 114.204 1.187 . . . . 0.0 114.204 -175.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -53.61 -24.4 13.9 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 115.507 1.669 . . . . 0.0 115.507 -176.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.83 -27.44 65.84 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 119.126 0.875 . . . . 0.0 113.276 178.535 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -82.51 -3.37 55.77 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 124.957 1.303 . . . . 0.0 113.631 176.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 141.53 163.31 9.52 Favored Glycine 0 CA--C 1.531 1.09 0 C-N-CA 125.409 1.48 . . . . 0.0 112.439 -177.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -66.11 138.38 57.7 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.675 -0.897 . . . . 0.0 111.601 178.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -100.63 132.36 46.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 C-N-CA 126.119 1.768 . . . . 0.0 110.238 176.2 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -93.58 -34.89 13.15 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.267 1.027 . . . . 0.0 112.625 -176.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -156.42 151.96 26.91 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 126.455 1.902 . . . . 0.0 110.565 177.624 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 24.7 p -148.13 155.29 41.25 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.095 0.958 . . . . 0.0 111.001 169.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -159.39 166.95 29.97 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.078 0.951 . . . . 0.0 112.637 -179.076 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 19.3 m -130.45 149.14 33.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 C-N-CA 125.338 1.455 . . . . 0.0 112.255 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 53.0 mmtt -143.3 170.56 15.54 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 126.742 2.017 . . . . 0.0 111.357 -175.225 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.73 157.26 43.05 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.926 1.291 . . . . 0.0 113.223 174.618 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.3 t -105.11 154.61 19.93 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 125.281 1.432 . . . . 0.0 111.576 172.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 34.8 m -62.05 -17.06 17.01 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 124.67 1.188 . . . . 0.0 113.169 170.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 18.3 t -68.95 -14.2 62.9 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 124.604 1.162 . . . . 0.0 113.338 169.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 100.63 -11.22 59.46 Favored Glycine 0 CA--C 1.536 1.382 0 C-N-CA 126.099 1.809 . . . . 0.0 115.377 174.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.52 157.83 36.85 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 118.689 1.245 . . . . 0.0 112.545 171.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -125.98 157.66 37.26 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.245 1.418 . . . . 0.0 112.204 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -138.14 153.38 49.23 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 125.878 1.671 . . . . 0.0 111.545 -172.104 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -144.11 151.07 39.09 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.271 1.028 . . . . 0.0 111.923 171.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.424 ' CZ ' " H1'" ' B' ' 103' ' ' ' A' . 55.2 m-85 -136.32 130.11 32.42 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 125.409 1.484 . . . . 0.0 109.803 -170.352 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.3 mp -139.16 112.1 6.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 123.984 0.914 . . . . 0.0 110.311 -167.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -78.48 153.38 31.44 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.206 1.402 . . . . 0.0 112.974 -177.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -139.39 145.07 38.49 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.007 1.323 . . . . 0.0 113.289 -179.106 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -70.29 -21.79 62.92 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 115.083 1.512 . . . . 0.0 115.083 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -149.95 142.46 24.41 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.328 1.451 . . . . 0.0 111.86 172.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.21 -46.24 51.58 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 114.352 1.241 . . . . 0.0 114.352 -172.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -73.03 -27.77 61.95 Favored 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 -169.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -74.6 -40.65 61.45 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 123.072 0.549 . . . . 0.0 111.034 173.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.58 -26.56 67.17 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.28 1.032 . . . . 0.0 113.694 173.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.96 -26.77 68.4 Favored 'General case' 0 CA--C 1.544 0.724 0 O-C-N 121.106 -0.996 . . . . 0.0 113.524 178.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -65.13 -27.67 68.9 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.112 -0.992 . . . . 0.0 112.978 172.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -73.96 -50.16 21.28 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 118.597 0.635 . . . . 0.0 111.096 168.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -61.48 -35.9 69.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 O-C-N 121.424 -0.797 . . . . 0.0 112.074 -174.591 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.63 -26.54 50.63 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 114.495 1.295 . . . . 0.0 114.495 178.626 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -85.62 -32.18 22.19 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 119.82 1.191 . . . . 0.0 112.071 176.017 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 11.3 mmpt? -76.09 4.47 8.42 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 126.198 1.799 . . . . 0.0 114.251 170.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -67.76 173.01 4.66 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 114.913 1.449 . . . . 0.0 114.913 -173.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 81.2 87.59 0.63 Allowed Glycine 0 CA--C 1.533 1.212 0 C-N-CA 125.063 1.316 . . . . 0.0 112.998 177.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 29.9 p -68.3 157.78 34.85 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.673 0.789 . . . . 0.0 112.726 174.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -146.75 151.24 36.85 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.255 1.422 . . . . 0.0 112.062 -170.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.9 p90 -164.85 169.3 16.78 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.602 1.561 . . . . 0.0 111.765 -166.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 58.64 29.36 18.43 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 125.568 1.547 . . . . 0.0 114.968 175.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 163.25 -22.69 0.18 Allowed Glycine 0 CA--C 1.537 1.447 0 C-N-CA 124.731 1.157 . . . . 0.0 114.371 177.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 29.3 t30 -141.13 146.05 36.54 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.871 1.668 . . . . 0.0 110.316 174.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -107.21 108.17 19.46 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 126.012 1.725 . . . . 0.0 110.178 -178.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.2 mt -169.13 140.48 2.42 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 126.119 1.768 . . . . 0.0 110.785 163.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 13.3 ttm180 -152.11 137.86 17.94 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.832 1.653 . . . . 0.0 110.34 175.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 43.7 t -141.2 131.14 25.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 124.183 0.993 . . . . 0.0 109.274 175.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -154.87 156.6 36.46 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.781 1.232 . . . . 0.0 110.912 -174.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 7.3 p -128.1 87.97 54.1 Favored Pre-proline 0 CA--C 1.544 0.722 0 C-N-CA 124.727 1.211 . . . . 0.0 110.561 -179.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -68.6 -40.95 6.77 Favored 'Trans proline' 0 CA--C 1.542 0.911 0 C-N-CA 122.136 1.891 . . . . 0.0 111.758 174.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -77.67 51.72 0.94 Allowed 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 127.676 2.39 . . . . 0.0 112.326 173.074 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -77.29 67.52 3.25 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.28 1.432 . . . . 0.0 112.49 -178.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.29 150.11 44.01 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 124.253 1.021 . . . . 0.0 112.932 179.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 32.8 mtt180 57.75 31.25 20.18 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 126.453 1.901 . . . . 0.0 115.024 174.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 . . . . . 0 C--O 1.252 1.198 0 C-N-CA 124.646 1.178 . . . . 0.0 114.125 175.508 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 101' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.102 0 C3'-C2'-C1' 99.417 -2.315 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 102' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.35 0 C4'-C3'-C2' 99.038 -3.662 . 0.037 7r . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 103' ' ' ' A' . . . . . 0.424 " H1'" ' CZ ' ' A' ' 50' ' ' PHE . . . . . . . . 0 O4'--C4' 1.419 -2.827 1 O4'-C1'-N19 114.209 6.009 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.151 3 C4'-C3'-C2' 97.196 -5.504 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 105' ' ' ' C' . . . . . 0.466 " H3'" H5'' ' B' ' 106' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.854 4 P-O3'-C3' 126.765 5.888 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 106' ' ' ' A' . . . . . 0.466 H5'' " H3'" ' B' ' 105' ' ' ' C' . . . . . . . . 0 P--O5' 1.625 3.239 0 C5'-C4'-O4' 114.065 3.475 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.733 0 N-CA-C 111.377 -0.689 . . . . 0.0 111.377 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 16.6 m 63.96 154.09 0.05 Allowed 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 126.906 2.083 . . . . 0.0 114.97 -172.102 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -150.12 79.46 1.36 Allowed 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.635 1.174 . . . . 0.0 111.588 -178.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.4 ptt? -158.06 161.55 38.03 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.59 1.556 . . . . 0.0 111.161 176.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.9 p -142.43 119.62 6.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 124.518 1.127 . . . . 0.0 110.707 173.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 20.8 pt -151.38 158.59 4.62 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 127.459 2.304 . . . . 0.0 109.832 -173.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 90.0 mtm-85 -78.86 32.26 0.2 Allowed 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 125.347 1.459 . . . . 0.0 114.062 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -158.63 -175.52 5.36 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 126.967 2.107 . . . . 0.0 110.545 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.5 t -145.57 143.95 30.21 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.138 0.975 . . . . 0.0 110.856 171.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 61.4 t -107.56 115.92 49.89 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 124.805 1.242 . . . . 0.0 110.689 -175.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.3 p -72.87 139.67 47.05 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.935 1.294 . . . . 0.0 111.04 170.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.5 ptt180 -150.86 126.66 10.31 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.606 1.162 . . . . 0.0 111.547 178.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 77.1 mt -77.4 146.39 8.57 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 C-N-CA 125.444 1.498 . . . . 0.0 109.512 -177.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -131.16 137.5 49.03 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.058 1.343 . . . . 0.0 111.741 177.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 33.3 m -132.91 138.4 51.85 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 124.549 1.139 . . . . 0.0 109.467 164.27 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -132.47 168.84 22.53 Favored Glycine 0 CA--C 1.526 0.749 0 C-N-CA 124.881 1.229 . . . . 0.0 113.793 -169.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 14.9 m120 52.3 30.21 7.69 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 123.912 0.885 . . . . 0.0 111.884 -170.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.7 tp -77.68 120.42 81.31 Favored Pre-proline 0 CA--C 1.547 0.858 0 C-N-CA 125.433 1.493 . . . . 0.0 111.066 -165.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -71.37 163.8 37.85 Favored 'Trans proline' 0 CA--C 1.54 0.789 0 C-N-CA 122.863 2.375 . . . . 0.0 111.564 172.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 51.1 m -61.45 109.0 1.04 Allowed 'General case' 0 N--CA 1.473 0.717 0 O-C-N 121.516 -0.74 . . . . 0.0 110.598 174.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 10.8 t-160 -151.14 -69.15 0.18 Allowed 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 124.906 1.283 . . . . 0.0 110.802 -168.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.6 m -103.89 115.89 46.66 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 C-N-CA 125.303 1.441 . . . . 0.0 110.494 177.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 89.6 p -74.38 165.07 25.82 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.06 0.944 . . . . 0.0 110.649 167.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 41.7 t -50.86 -40.03 55.26 Favored 'General case' 0 N--CA 1.48 1.026 0 O-C-N 120.914 -1.116 . . . . 0.0 113.993 -175.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -68.9 -36.48 78.09 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 124.354 1.062 . . . . 0.0 112.483 177.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -76.29 -35.81 58.68 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.103 0.961 . . . . 0.0 112.089 176.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 77.5 t -59.46 -48.09 88.45 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 124.223 1.009 . . . . 0.0 109.812 169.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 56.6 tt0 -57.82 -52.25 66.24 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 121.766 -0.584 . . . . 0.0 111.587 175.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -63.15 -34.35 77.44 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 113.127 0.788 . . . . 0.0 113.127 -178.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.1 tp10 -68.76 -52.5 29.83 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.322 1.049 . . . . 0.0 111.816 173.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -72.04 -19.02 61.9 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 114.575 1.324 . . . . 0.0 114.575 -174.434 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 66.3 mtp180 -56.17 -25.17 45.57 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-N 120.316 1.416 . . . . 0.0 114.443 174.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.96 -25.14 52.47 Favored 'General case' 0 N--CA 1.486 1.338 0 CA-C-N 119.824 1.193 . . . . 0.0 113.472 173.189 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -76.53 -38.57 54.88 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.278 1.431 . . . . 0.0 110.425 176.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 167.15 -175.66 42.25 Favored Glycine 0 CA--C 1.535 1.299 0 C-N-CA 124.861 1.22 . . . . 0.0 113.167 178.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -75.22 115.56 15.0 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 121.878 -0.778 . . . . 0.0 111.94 -179.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -84.31 137.41 20.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 126.761 2.025 . . . . 0.0 111.234 172.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -105.08 -37.87 6.78 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.101 1.36 . . . . 0.0 113.11 175.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -149.7 142.19 24.37 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 126.762 2.025 . . . . 0.0 109.464 -178.319 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 42.2 t -146.68 118.41 8.08 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.301 1.04 . . . . 0.0 110.038 -174.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -150.67 155.33 39.12 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.629 1.172 . . . . 0.0 112.292 -176.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 18.3 t -124.7 132.67 71.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 125.319 1.447 . . . . 0.0 109.955 -177.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.485 ' HE3' ' CD1' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -122.81 166.38 15.08 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.972 1.709 . . . . 0.0 110.827 -178.48 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.04 152.95 42.45 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 124.468 1.107 . . . . 0.0 113.451 179.261 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.7 t -98.59 159.57 14.86 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 124.905 1.282 . . . . 0.0 111.767 174.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.8 p -59.3 -24.13 26.94 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 125.246 1.419 . . . . 0.0 112.882 172.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 12.9 t -69.61 -11.79 61.12 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 124.635 1.174 . . . . 0.0 113.709 172.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 97.15 -9.57 65.38 Favored Glycine 0 CA--C 1.536 1.361 0 C-N-CA 125.909 1.719 . . . . 0.0 115.626 174.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.38 154.15 41.79 Favored 'General case' 0 CA--C 1.545 0.753 0 CA-C-N 118.809 1.305 . . . . 0.0 112.246 171.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -129.49 159.84 35.03 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.794 1.238 . . . . 0.0 112.71 179.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -146.92 125.02 12.09 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 125.092 1.357 . . . . 0.0 110.253 -167.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -103.76 137.32 41.94 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.645 0.778 . . . . 0.0 111.014 175.016 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.485 ' CD1' ' HE3' ' A' ' 40' ' ' LYS . 76.1 m-85 -129.23 133.81 47.69 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 124.728 1.211 . . . . 0.0 110.331 179.62 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.7 mp -132.97 106.77 10.75 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 C-N-CA 124.265 1.026 . . . . 0.0 109.874 -170.049 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -75.13 132.66 41.37 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.86 1.264 . . . . 0.0 111.761 -177.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -135.05 138.76 44.21 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 114.097 1.147 . . . . 0.0 114.097 -158.581 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 30.0 tp10 -76.56 -37.51 56.45 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 113.494 0.924 . . . . 0.0 113.494 -177.132 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -132.69 114.0 13.66 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.349 1.459 . . . . 0.0 112.524 -172.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.69 -47.32 60.46 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.054 0.941 . . . . 0.0 113.399 178.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 50.4 mtt-85 -66.3 -38.0 86.71 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.687 0.795 . . . . 0.0 113.046 -174.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 41.4 t0 -67.77 -42.13 82.18 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.381 0.672 . . . . 0.0 111.335 175.426 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.98 -37.68 81.79 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 113.407 0.892 . . . . 0.0 113.407 177.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.21 -40.46 77.5 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 113.701 1.0 . . . . 0.0 113.701 -172.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -68.2 -27.84 66.74 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 113.791 1.034 . . . . 0.0 113.791 176.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -84.31 -28.77 26.88 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.065 0.946 . . . . 0.0 112.709 172.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -76.42 -38.21 31.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 O-C-N 121.047 -1.033 . . . . 0.0 111.813 176.759 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.75 -23.15 63.34 Favored 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 114.148 1.166 . . . . 0.0 114.148 -175.672 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -72.53 -11.76 60.79 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 170.092 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 11.8 mmpt? -96.87 6.88 47.83 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 125.831 1.653 . . . . 0.0 113.376 172.061 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 18.5 p-10 -68.73 172.37 6.48 Favored 'General case' 0 CA--C 1.551 0.997 0 N-CA-C 114.817 1.414 . . . . 0.0 114.817 -173.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 82.99 96.69 0.55 Allowed Glycine 0 CA--C 1.534 1.245 0 C-N-CA 125.373 1.463 . . . . 0.0 111.924 -176.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 24.4 p -71.69 137.71 48.01 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-O 122.023 0.916 . . . . 0.0 112.975 -177.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -90.23 126.09 35.71 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 126.334 1.854 . . . . 0.0 111.117 172.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 44.5 p90 -151.56 158.1 43.1 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 126.822 2.049 . . . . 0.0 110.421 175.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 48.6 tt0 57.95 88.23 0.06 Allowed 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 126.305 1.842 . . . . 0.0 113.415 -175.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 88.8 -7.15 82.76 Favored Glycine 0 CA--C 1.538 1.531 0 C-N-CA 125.043 1.306 . . . . 0.0 114.999 -178.092 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 12.6 p30 -146.27 158.15 43.86 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 126.422 1.889 . . . . 0.0 110.348 169.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.78 101.74 4.39 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 125.327 1.451 . . . . 0.0 111.241 -165.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -174.11 99.33 0.1 Allowed 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.706 1.602 . . . . 0.0 110.519 171.016 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 45.9 ttm-85 -91.38 138.22 31.75 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 120.882 -1.136 . . . . 0.0 110.341 168.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 67.9 t -136.66 119.73 21.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 125.2 1.4 . . . . 0.0 109.176 179.215 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 67.4 tt0 -159.22 130.12 6.03 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.464 0.706 . . . . 0.0 112.005 -174.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.4 m -93.42 114.86 64.03 Favored Pre-proline 0 N--CA 1.472 0.669 0 O-C-N 121.572 -0.705 . . . . 0.0 110.397 169.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -67.85 -27.71 37.0 Favored 'Trans proline' 0 CA--C 1.541 0.869 0 C-N-CA 122.605 2.203 . . . . 0.0 112.878 -179.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 52.3 p90 -77.9 -31.69 51.35 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.557 1.143 . . . . 0.0 113.338 177.17 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 57.5 m-80 59.49 -54.26 0.06 Allowed 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 128.369 2.668 . . . . 0.0 116.073 -171.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -156.52 179.73 8.98 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 126.034 1.734 . . . . 0.0 112.068 -175.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.16 145.07 49.54 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 126.391 1.877 . . . . 0.0 110.633 172.592 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 . . . . . 0 C--O 1.253 1.242 0 C-N-CA 125.671 1.588 . . . . 0.0 112.189 177.971 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 101' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.45 1 O4'-C1'-N19 112.453 4.253 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 102' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.328 3 P-O3'-C3' 126.987 6.073 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 103' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.508 0 O4'-C1'-N19 111.858 3.658 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.814 1 O4'-C1'-N19 114.981 6.781 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 105' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.724 0 O5'-C5'-C4' 114.144 2.817 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 106' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.163 0 O4'-C1'-N19 110.967 2.767 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.824 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 38.8 t -161.58 152.86 18.54 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.336 1.054 . . . . 0.0 111.255 178.138 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 1.2 p80 -86.94 -179.15 6.45 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 124.901 1.28 . . . . 0.0 112.865 -173.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 90.4 mtp -144.79 135.18 24.31 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.598 1.159 . . . . 0.0 111.28 177.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 5.5 p -79.56 144.08 11.48 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 O-C-N 121.318 -0.864 . . . . 0.0 109.595 155.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 64.9 mt -135.05 -72.73 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 124.55 1.14 . . . . 0.0 108.467 174.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 25.7 mtt180 -139.99 151.18 45.28 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 128.26 2.624 . . . . 0.0 108.446 173.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 54.04 -0.05 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.375 0 C-N-CA 128.074 2.55 . . . . 0.0 117.3 177.285 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.9 t 67.15 119.24 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 127.44 2.296 . . . . 0.0 113.328 -165.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 3.2 t -84.52 65.56 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 123.891 0.877 . . . . 0.0 111.866 -166.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.0 p -65.74 133.19 50.53 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.994 1.317 . . . . 0.0 111.986 174.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.8 ptt180 -165.05 129.17 2.41 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 -170.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.41 HD12 ' CZ ' ' A' ' 53' ' ' PHE . 6.2 mt -68.78 145.59 13.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 C-N-CA 123.78 0.832 . . . . 0.0 109.498 168.702 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -116.81 147.44 42.1 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.707 1.603 . . . . 0.0 110.11 172.505 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.7 p -138.19 134.96 44.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 C-N-CA 123.617 0.767 . . . . 0.0 110.331 166.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -130.58 158.48 22.53 Favored Glycine 0 CA--C 1.524 0.643 0 C-N-CA 125.549 1.547 . . . . 0.0 112.359 178.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 13.6 m120 52.84 42.0 31.87 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.771 0.828 . . . . 0.0 111.13 -173.335 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.5 pp -76.42 155.12 83.95 Favored Pre-proline 0 CA--C 1.546 0.818 0 C-N-CA 124.997 1.319 . . . . 0.0 112.679 -174.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -68.0 123.26 10.45 Favored 'Trans proline' 0 CA--C 1.54 0.784 0 C-N-CA 123.033 2.489 . . . . 0.0 111.741 174.394 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 17.5 m 55.24 -113.62 0.8 Allowed 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.423 1.489 . . . . 0.0 112.807 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 5.8 p-80 -163.46 68.38 0.2 Allowed 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 126.785 2.034 . . . . 0.0 109.103 178.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 14.9 p -57.09 131.86 21.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 123.91 0.884 . . . . 0.0 112.762 -174.319 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.28 142.95 52.21 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 124.373 1.069 . . . . 0.0 113.753 -170.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 68.1 m -50.9 -37.35 43.3 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 114.895 1.443 . . . . 0.0 114.895 -176.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.85 -26.12 49.15 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 -177.643 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -68.96 -47.81 64.72 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 118.27 0.486 . . . . 0.0 110.481 170.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 27.0 m -71.11 -21.98 22.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 176.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -61.39 -33.33 73.49 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 119.505 1.048 . . . . 0.0 111.865 169.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 29.6 m-80 -71.15 -51.68 23.58 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 121.079 -1.013 . . . . 0.0 111.413 171.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -64.0 -41.17 97.58 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 113.139 0.792 . . . . 0.0 113.139 -172.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -75.95 -11.38 59.95 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 115.066 1.506 . . . . 0.0 115.066 -178.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.7 mtp-105 -64.12 -19.7 65.46 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-N 120.218 1.372 . . . . 0.0 113.433 172.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 51.9 tttt -55.79 -32.71 63.74 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 124.311 1.045 . . . . 0.0 112.766 165.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -98.13 -37.26 9.79 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.588 1.155 . . . . 0.0 111.607 -167.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 176.26 177.36 45.2 Favored Glycine 0 CA--C 1.534 1.224 0 C-N-CA 125.129 1.347 . . . . 0.0 112.266 177.169 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 29.8 m-20 -77.77 86.38 4.04 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 118.204 1.002 . . . . 0.0 111.42 178.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.51 137.75 9.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 128.083 2.553 . . . . 0.0 113.51 177.283 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 88.8 mt -111.85 -29.67 7.58 Favored 'General case' 0 CA--C 1.548 0.904 0 N-CA-C 115.572 1.693 . . . . 0.0 115.572 -173.28 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.2 mmmm -153.77 150.59 28.65 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 128.693 2.797 . . . . 0.0 109.218 178.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 7.3 p -154.68 116.74 4.21 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.613 1.565 . . . . 0.0 111.582 175.482 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -147.78 140.07 24.39 Favored 'General case' 0 N--CA 1.478 0.962 0 O-C-N 120.54 -1.35 . . . . 0.0 113.843 -179.165 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 61.9 t -83.82 154.15 3.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 C-N-CA 127.171 2.188 . . . . 0.0 111.117 172.304 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.26 159.45 42.2 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 127.578 2.351 . . . . 0.0 110.152 172.79 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.78 146.3 52.07 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.923 1.289 . . . . 0.0 111.436 166.33 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 52.6 p -100.25 166.61 10.9 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 124.488 1.115 . . . . 0.0 112.242 176.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 23.0 m -65.37 -15.46 18.52 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.357 0 N-CA-C 115.014 1.487 . . . . 0.0 115.014 -178.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 23.0 t -80.0 -21.12 43.99 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.924 0.89 . . . . 0.0 112.426 169.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 107.53 -4.12 34.75 Favored Glycine 0 CA--C 1.53 1.013 0 C-N-CA 126.099 1.809 . . . . 0.0 115.384 178.217 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.76 134.49 52.29 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 118.893 1.346 . . . . 0.0 111.537 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -102.62 138.26 39.76 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.243 1.417 . . . . 0.0 112.178 -177.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -143.27 156.11 44.65 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 125.375 1.47 . . . . 0.0 111.078 -173.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -146.61 155.77 42.72 Favored 'General case' 0 CA--C 1.532 0.26 0 O-C-N 121.299 -0.876 . . . . 0.0 111.574 171.284 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.449 ' CD2' ' C8 ' ' B' ' 103' ' ' ' A' . 89.4 m-85 -138.14 137.72 37.94 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 123.939 0.895 . . . . 0.0 110.527 -177.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.7 mp -134.46 119.59 30.23 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 C-N-CA 125.029 1.332 . . . . 0.0 109.885 -171.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -80.89 131.88 35.4 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 126.011 1.725 . . . . 0.0 112.065 -171.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.41 ' CZ ' HD12 ' A' ' 10' ' ' ILE . 0.8 OUTLIER -132.77 155.58 48.63 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.933 1.693 . . . . 0.0 113.179 -155.404 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -123.8 -51.21 1.82 Allowed 'General case' 0 CA--C 1.55 0.965 0 N-CA-C 116.087 1.884 . . . . 0.0 116.087 -152.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.7 p-10 -121.7 78.39 1.45 Allowed 'General case' 0 N--CA 1.477 0.923 0 O-C-N 120.002 -1.686 . . . . 0.0 111.78 -178.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -52.28 -41.98 63.33 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 114.482 1.29 . . . . 0.0 114.482 -164.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.444 ' H ' ' HD3' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -73.2 -26.83 61.31 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.646 1.178 . . . . 0.0 113.494 -176.178 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.0 -49.67 8.72 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.915 1.286 . . . . 0.0 109.677 173.086 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.33 -32.33 64.57 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.649 1.18 . . . . 0.0 113.348 176.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.26 -33.23 65.26 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.677 1.191 . . . . 0.0 113.341 173.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -70.16 -31.56 69.11 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 119.271 0.941 . . . . 0.0 112.426 -179.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -79.73 -21.0 45.05 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.186 0.994 . . . . 0.0 112.539 169.059 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -82.28 -40.61 17.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 124.221 1.009 . . . . 0.0 112.826 177.643 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.61 -25.55 68.15 Favored 'General case' 0 N--CA 1.483 1.185 0 N-CA-C 114.138 1.162 . . . . 0.0 114.138 -174.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -77.05 -21.19 54.86 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.087 0.955 . . . . 0.0 112.866 173.192 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.6 mmpt? -95.81 -10.63 28.52 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.082 1.353 . . . . 0.0 113.839 -179.236 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -64.05 174.32 1.58 Allowed 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 114.21 1.189 . . . . 0.0 114.21 -173.048 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 89.76 83.89 1.34 Allowed Glycine 0 C--N 1.335 0.481 0 N-CA-C 110.175 -1.17 . . . . 0.0 110.175 -167.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 20.6 p -57.01 144.73 32.99 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.881 0.872 . . . . 0.0 110.537 173.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -138.82 149.99 45.55 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 114.194 1.183 . . . . 0.0 114.194 -175.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 4.1 p90 -160.14 166.35 29.92 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.7 1.6 . . . . 0.0 111.389 -156.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 58.2 93.47 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 126.69 1.996 . . . . 0.0 113.579 -178.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 75.49 -51.5 2.59 Favored Glycine 0 CA--C 1.534 1.227 0 O-C-N 121.354 -0.841 . . . . 0.0 112.031 -168.219 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 13.4 m-20 -71.97 143.75 49.13 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.927 0.891 . . . . 0.0 110.113 166.168 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.39 87.72 2.42 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 125.949 1.7 . . . . 0.0 109.704 -174.228 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -160.61 53.05 0.3 Allowed 'General case' 0 CA--C 1.555 1.154 0 N-CA-C 115.188 1.551 . . . . 0.0 115.188 -167.236 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 49.5 ttm-85 -84.38 81.6 8.76 Favored 'General case' 0 N--CA 1.483 1.208 0 O-C-N 119.17 -2.207 . . . . 0.0 110.681 165.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 53.0 t -81.77 131.46 33.78 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 157.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 57.3 tt0 -155.21 148.41 24.82 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-O 121.99 0.9 . . . . 0.0 112.84 -174.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 94.5 t -106.17 104.25 48.95 Favored Pre-proline 0 N--CA 1.476 0.858 0 C-N-CA 124.958 1.303 . . . . 0.0 110.5 -174.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -80.09 -15.64 11.55 Favored 'Trans proline' 0 CA--C 1.543 0.947 0 C-N-CA 123.183 2.589 . . . . 0.0 113.763 176.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 21.0 p90 -98.57 39.96 1.22 Allowed 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.515 1.526 . . . . 0.0 111.911 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 12.8 p-10 -69.79 23.59 0.03 OUTLIER 'General case' 0 CA--C 1.554 1.102 0 C-N-CA 127.324 2.25 . . . . 0.0 115.643 -172.175 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -144.64 118.79 9.47 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.396 1.078 . . . . 0.0 111.293 174.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 6.2 tpt85 -152.44 19.29 0.64 Allowed 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.087 1.355 . . . . 0.0 113.505 176.076 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 . . . . . 0 C--O 1.249 1.077 0 C-N-CA 126.241 1.817 . . . . 0.0 111.924 171.813 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 101' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.164 1 O4'-C1'-N19 113.763 5.563 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 102' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.332 1 O4'-C1'-N19 112.543 4.343 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 103' ' ' ' A' . . . . . 0.449 ' C8 ' ' CD2' ' A' ' 50' ' ' PHE . . . . . . . . 0 O4'--C4' 1.428 -2.113 1 O4'-C1'-N19 114.19 5.99 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.492 2 C3'-C2'-C1' 105.91 4.9 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 105' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.997 0 O4'-C1'-N19 111.193 2.993 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 106' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.788 0 C5'-C4'-O4' 114.622 3.873 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.941 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 22.7 m 59.61 22.8 11.5 Favored 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 116.524 2.046 . . . . 0.0 116.524 167.081 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -72.57 126.55 30.16 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 120.826 -1.171 . . . . 0.0 110.67 178.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 72.1 mtp 55.42 53.24 10.1 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.458 1.103 . . . . 0.0 113.887 177.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 3.2 m -68.55 86.51 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 125.132 1.373 . . . . 0.0 112.436 173.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 10.1 pt -56.42 -39.9 64.07 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 C-N-CA 125.087 1.355 . . . . 0.0 113.926 -164.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.24 -26.33 64.8 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.95 1.3 . . . . 0.0 114.091 176.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -120.99 37.85 4.21 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.735 1.614 . . . . 0.0 111.212 -175.123 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.6 m -59.2 168.59 1.36 Allowed 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.942 1.697 . . . . 0.0 113.609 176.117 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 78.3 t -136.08 116.14 17.4 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 C-N-CA 126.665 1.986 . . . . 0.0 107.02 178.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 20.8 p -95.91 105.38 17.39 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.715 1.206 . . . . 0.0 110.871 -171.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.88 152.41 51.05 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 114.267 1.21 . . . . 0.0 114.267 -173.371 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.3 mp -77.16 148.08 6.95 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 C-N-CA 126.036 1.735 . . . . 0.0 109.627 171.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -117.0 136.43 52.94 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.654 1.182 . . . . 0.0 110.733 160.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 19.8 m -132.42 148.48 31.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 C-N-CA 125.164 1.386 . . . . 0.0 110.097 161.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -158.05 162.34 32.14 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 116.08 1.192 . . . . 0.0 116.08 -171.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 42.6 t30 54.49 32.09 16.09 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 126.445 1.898 . . . . 0.0 114.485 176.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.3 mp -79.8 140.52 54.67 Favored Pre-proline 0 CA--C 1.544 0.719 0 C-N-CA 124.269 1.028 . . . . 0.0 111.436 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -67.21 155.35 70.97 Favored 'Trans proline' 0 CA--C 1.537 0.663 0 C-N-CA 122.741 2.294 . . . . 0.0 111.464 166.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.5 t 64.98 -34.54 0.17 Allowed 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 127.838 2.455 . . . . 0.0 115.718 -175.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . 0.283 0.2 OUTLIER 64.39 170.68 0.18 Allowed 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 127.012 2.125 . . . . 0.0 113.078 -175.943 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.4 m -127.33 127.71 69.39 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 124.887 1.275 . . . . 0.0 111.045 -176.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 89.1 p -74.1 163.5 27.79 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.962 0.905 . . . . 0.0 111.558 172.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 21.7 p -52.51 -38.03 58.7 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.156 0.983 . . . . 0.0 112.884 175.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -55.29 -46.78 76.21 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 125.679 1.592 . . . . 0.0 112.472 171.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.75 -33.53 52.82 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 112.783 0.66 . . . . 0.0 112.783 -177.704 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.2 t -58.57 -46.08 90.17 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 CA-C-O 118.444 -0.789 . . . . 0.0 111.08 179.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -63.75 -43.33 96.75 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 119.973 1.26 . . . . 0.0 112.042 172.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -64.53 -35.42 80.91 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 -173.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.7 tp10 -77.19 -53.8 7.29 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.315 1.446 . . . . 0.0 111.072 173.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.408 ' HA ' ' CD1' ' A' ' 31' ' ' TYR . 46.8 m-85 -79.56 -15.08 58.32 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 115.356 1.613 . . . . 0.0 115.356 -167.129 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 59.5 mtt-85 -59.41 -22.25 61.15 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 120.238 1.381 . . . . 0.0 114.315 169.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.99 -8.44 56.52 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 119.657 1.117 . . . . 0.0 113.494 173.749 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.408 ' CD1' ' HA ' ' A' ' 28' ' ' PHE . 1.5 m-85 -103.15 -38.98 7.05 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.565 1.546 . . . . 0.0 111.45 178.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -180.0 177.16 47.89 Favored Glycine 0 CA--C 1.535 1.328 0 N-CA-C 116.013 1.165 . . . . 0.0 116.013 -178.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -72.78 100.68 2.92 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.733 1.213 . . . . 0.0 111.418 178.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -66.72 113.59 3.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 125.173 1.389 . . . . 0.0 112.402 -178.203 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 45.8 mt -91.68 -30.81 16.1 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.873 1.269 . . . . 0.0 112.619 176.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.0 ttpp -160.11 161.04 33.7 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 126.215 1.806 . . . . 0.0 109.819 165.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 29.4 p -137.53 164.39 28.83 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.336 1.055 . . . . 0.0 109.975 160.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -161.07 171.6 18.31 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.03 0.932 . . . . 0.0 111.944 173.149 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.1 p -139.08 138.86 41.01 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 124.753 1.221 . . . . 0.0 111.495 -170.13 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 37.6 mmtt -142.04 178.65 7.38 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 126.529 1.931 . . . . 0.0 110.868 -172.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.55 145.88 17.8 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.2 1.0 . . . . 0.0 112.057 176.025 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.3 t -79.77 155.64 27.82 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-O 121.777 0.799 . . . . 0.0 110.89 165.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 29.9 m -54.7 -27.29 18.01 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 C-N-CA 124.842 1.257 . . . . 0.0 112.902 164.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.9 t -79.45 20.98 0.51 Allowed 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 125.263 1.425 . . . . 0.0 114.065 173.125 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.78 -11.6 19.77 Favored Glycine 0 CA--C 1.533 1.215 0 N-CA-C 117.721 1.849 . . . . 0.0 117.721 165.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.96 126.59 30.13 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 119.983 1.891 . . . . 0.0 111.119 172.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -82.05 153.97 25.87 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.477 0.711 . . . . 0.0 111.44 167.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -134.19 145.75 49.51 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 126.297 1.839 . . . . 0.0 110.573 -177.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -136.31 147.12 47.29 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.867 0.867 . . . . 0.0 111.408 176.058 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -138.78 142.24 38.78 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 123.837 0.855 . . . . 0.0 111.943 -169.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.4 mp -139.75 127.4 25.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 124.295 1.038 . . . . 0.0 110.84 -174.399 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -95.9 123.88 39.67 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 126.566 1.946 . . . . 0.0 110.116 178.05 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -121.29 146.11 47.18 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.914 1.286 . . . . 0.0 112.346 169.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -65.63 -54.34 28.97 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 121.529 -0.732 . . . . 0.0 112.131 164.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -80.57 59.4 3.54 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 124.422 1.089 . . . . 0.0 113.625 -177.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -49.61 -37.7 28.91 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.787 0.835 . . . . 0.0 112.409 173.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.84 -33.12 74.14 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 114.719 1.377 . . . . 0.0 114.719 176.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -79.49 -43.93 22.23 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 118.735 0.698 . . . . 0.0 111.071 178.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.0 -23.82 65.97 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.186 1.394 . . . . 0.0 113.678 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -54.15 -41.52 68.54 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.74 0.816 . . . . 0.0 112.699 179.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -65.02 -41.27 95.43 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 118.819 0.736 . . . . 0.0 112.495 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -71.09 -25.02 62.42 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.144 0.977 . . . . 0.0 112.882 174.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -79.75 -43.38 22.99 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 O-C-N 121.519 -0.738 . . . . 0.0 111.939 175.764 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.88 -23.83 66.73 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 114.1 1.148 . . . . 0.0 114.1 -171.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.94 -30.22 70.09 Favored 'General case' 0 CA--C 1.545 0.787 0 O-C-N 120.581 -1.324 . . . . 0.0 112.297 170.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -81.78 -0.53 43.59 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.93 1.292 . . . . 0.0 113.864 176.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -69.37 178.47 2.39 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 119.173 0.897 . . . . 0.0 112.838 173.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.45 45.48 4.03 Favored Glycine 0 CA--C 1.525 0.717 0 C-N-CA 124.27 0.938 . . . . 0.0 110.914 -179.156 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 28.2 p -54.61 146.81 15.66 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.401 1.081 . . . . 0.0 113.193 -172.144 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -143.09 148.94 37.47 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.103 0.961 . . . . 0.0 111.609 -156.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 45.9 p90 -154.93 178.32 10.31 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.722 1.609 . . . . 0.0 111.053 -169.316 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 58.1 95.73 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.614 1.566 . . . . 0.0 112.452 -177.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 76.74 -59.85 3.39 Favored Glycine 0 CA--C 1.529 0.925 0 C-N-CA 124.498 1.047 . . . . 0.0 111.974 -169.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -68.71 161.26 28.67 Favored 'General case' 0 CA--C 1.543 0.684 0 O-C-N 121.901 -0.764 . . . . 0.0 111.091 161.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.6 ptpt -161.3 112.67 1.77 Allowed 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 125.155 1.382 . . . . 0.0 111.173 166.507 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.6 mp -154.63 130.02 9.77 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 126.256 1.822 . . . . 0.0 108.942 173.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 7.1 ttt180 -133.09 146.13 51.37 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 119.026 0.83 . . . . 0.0 112.655 171.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 96.4 t -151.0 140.83 15.72 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 127.383 2.273 . . . . 0.0 107.625 -174.012 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -151.28 160.11 43.98 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 121.759 0.79 . . . . 0.0 112.49 169.338 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 3.3 p -130.24 95.01 28.81 Favored Pre-proline 0 CA--C 1.543 0.709 0 C-N-CA 125.522 1.529 . . . . 0.0 111.035 -172.165 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_endo -74.71 33.9 0.38 Allowed 'Trans proline' 0 CA--C 1.547 1.126 0 C-N-CA 124.766 3.644 . . . . 0.0 113.47 176.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 38.3 p90 -146.42 31.92 0.99 Allowed 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 127.094 2.157 . . . . 0.0 110.553 172.001 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -57.3 -25.11 58.77 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.694 1.598 . . . . 0.0 113.639 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -113.95 134.83 54.58 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 108.226 -1.028 . . . . 0.0 108.226 145.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 10.0 ttp180 -61.0 -38.92 87.74 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.61 0.764 . . . . 0.0 112.677 -175.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 . . . . . 0 C--O 1.249 1.04 0 C-N-CA 124.689 1.196 . . . . 0.0 109.622 163.875 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 101' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 1.945 1 O4'-C1'-N19 113.766 5.566 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 102' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.226 0 O4'-C1'-N19 111.066 2.866 . 0.292 2o . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 103' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.576 -2.543 2 C5'-C4'-C3' 107.081 -5.613 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.546 5 O4'-C1'-N19 120.35 12.15 . 0.0 OUTLIER beta 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 105' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.039 0 O4'-C1'-N19 112.02 3.82 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 106' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.522 0 O4'-C1'-N19 111.805 3.605 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.648 0 N-CA-C 111.116 -0.794 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 48.7 m -81.17 76.69 8.11 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.493 1.117 . . . . 0.0 112.733 -174.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 21.1 t-160 -160.93 114.49 2.02 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 127.176 2.191 . . . . 0.0 109.17 172.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.6 ptt? -153.74 -40.21 0.09 Allowed 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 115.34 1.607 . . . . 0.0 115.34 178.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.8 t -135.36 70.66 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.167 0 C-N-CA 124.414 1.085 . . . . 0.0 110.153 -177.489 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 20.7 tt -156.33 140.77 8.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 125.634 1.573 . . . . 0.0 110.291 176.148 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 16.1 mmt180 -78.36 -3.41 43.01 Favored 'General case' 0 N--CA 1.481 1.122 0 N-CA-C 115.208 1.559 . . . . 0.0 115.208 -178.01 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -141.34 139.31 33.55 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.097 1.359 . . . . 0.0 111.876 -172.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.2 t -68.59 133.0 47.87 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.606 0.762 . . . . 0.0 112.068 179.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 61.6 t -86.98 122.0 38.41 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 124.534 1.134 . . . . 0.0 110.781 -178.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.9 m -79.09 129.62 34.64 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.772 0.829 . . . . 0.0 110.977 176.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 33.9 mtm-85 -135.16 145.53 47.87 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.135 0.974 . . . . 0.0 112.71 177.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 57.9 mt -104.54 149.16 8.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 126.108 1.763 . . . . 0.0 110.001 174.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 33.3 t80 -134.57 152.69 51.95 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 126.719 2.008 . . . . 0.0 111.422 178.336 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 20.3 t -139.87 127.14 24.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 124.23 1.012 . . . . 0.0 109.518 165.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -91.85 135.47 12.77 Favored Glycine 0 CA--C 1.53 0.98 0 C-N-CA 125.494 1.521 . . . . 0.0 113.677 -177.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.2 m120 57.68 33.2 22.94 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 125.23 1.412 . . . . 0.0 113.177 -179.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.2 125.2 89.79 Favored Pre-proline 0 CA--C 1.55 0.947 0 C-N-CA 125.81 1.644 . . . . 0.0 111.313 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -72.92 175.11 10.86 Favored 'Trans proline' 0 CA--C 1.542 0.883 0 C-N-CA 123.452 2.768 . . . . 0.0 111.604 171.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.3 t -72.62 35.96 0.07 Allowed 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 124.706 1.202 . . . . 0.0 113.859 175.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 66.5 t60 -68.18 -33.05 73.73 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 126.57 1.948 . . . . 0.0 112.19 174.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 15.4 m -134.44 125.95 47.95 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 125.225 1.41 . . . . 0.0 110.936 173.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 97.2 p -80.75 174.37 11.68 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.585 1.554 . . . . 0.0 111.143 167.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 77.7 p -55.51 -30.28 60.38 Favored 'General case' 0 N--CA 1.478 0.973 0 O-C-N 120.737 -1.227 . . . . 0.0 113.138 172.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -69.19 -52.41 28.25 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 125.267 1.427 . . . . 0.0 111.638 171.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -69.78 -29.23 66.5 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 113.589 0.959 . . . . 0.0 113.589 -177.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 37.4 t -57.9 -39.58 72.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 124.421 1.088 . . . . 0.0 111.515 175.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 76.0 tt0 -61.43 -53.96 49.74 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 119.643 1.11 . . . . 0.0 111.585 174.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 28.1 m120 -64.68 -31.49 72.73 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 113.042 0.756 . . . . 0.0 113.042 -178.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.6 tp10 -69.85 -53.81 16.42 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.92 0.888 . . . . 0.0 111.84 173.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -78.45 -14.09 59.53 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 114.628 1.344 . . . . 0.0 114.628 -174.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 64.9 mtt-85 -57.93 -25.03 60.35 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-N 120.291 1.405 . . . . 0.0 114.557 172.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.66 -32.18 69.36 Favored 'General case' 0 N--CA 1.483 1.196 0 CA-C-N 119.6 1.091 . . . . 0.0 112.124 171.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -74.83 -36.94 62.4 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.159 1.384 . . . . 0.0 110.576 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 163.68 -165.87 37.08 Favored Glycine 0 CA--C 1.533 1.172 0 C-N-CA 124.881 1.229 . . . . 0.0 112.992 174.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 73.4 m-20 -76.06 90.55 3.05 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-O 122.156 0.979 . . . . 0.0 112.541 -178.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -57.4 133.56 22.03 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 C-N-CA 125.437 1.495 . . . . 0.0 110.351 160.213 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 75.0 mt -101.02 -38.56 8.13 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.395 1.478 . . . . 0.0 112.503 175.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -156.26 147.97 22.86 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 126.309 1.844 . . . . 0.0 110.267 179.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 9.0 p -146.33 139.29 25.58 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.286 1.034 . . . . 0.0 112.289 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -160.81 132.66 5.85 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.421 1.488 . . . . 0.0 110.267 171.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.5 m -85.07 149.02 4.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 123.854 0.862 . . . . 0.0 110.947 171.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.13 170.43 14.55 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 125.228 1.411 . . . . 0.0 111.496 176.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.89 152.91 40.97 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.998 1.319 . . . . 0.0 113.116 177.324 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 82.1 p -98.98 167.55 10.66 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.051 1.341 . . . . 0.0 111.939 174.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 64.1 t -61.47 -25.65 37.27 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 C-N-CA 124.695 1.198 . . . . 0.0 112.437 177.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 22.7 t -65.52 -17.25 64.42 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.111 1.365 . . . . 0.0 113.601 172.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 91.19 -1.3 76.84 Favored Glycine 0 CA--C 1.536 1.353 0 C-N-CA 125.46 1.505 . . . . 0.0 114.626 -178.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.2 143.01 54.13 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 118.369 1.084 . . . . 0.0 110.744 168.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -127.03 157.66 39.02 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.797 1.239 . . . . 0.0 112.372 -179.194 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 -148.16 128.5 13.89 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 124.493 1.117 . . . . 0.0 111.082 -162.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -84.12 140.79 31.55 Favored 'General case' 0 N--CA 1.467 0.402 0 O-C-N 122.179 -0.325 . . . . 0.0 111.094 169.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -138.32 131.1 29.52 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 125.103 1.361 . . . . 0.0 110.433 173.535 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.2 mp -139.01 131.36 37.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 124.37 1.068 . . . . 0.0 110.881 -172.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -88.15 135.13 33.58 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.506 1.522 . . . . 0.0 111.615 173.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -130.15 150.93 51.19 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 126.171 1.788 . . . . 0.0 111.441 -177.169 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 25.8 pt-20 -83.41 -27.06 29.85 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 113.947 1.091 . . . . 0.0 113.947 173.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -136.05 119.46 16.86 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.433 1.493 . . . . 0.0 112.222 -174.165 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.22 -61.99 1.57 Allowed 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.01 0.924 . . . . 0.0 113.058 175.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.442 ' H ' ' HD3' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -60.63 -28.7 68.74 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 114.701 1.371 . . . . 0.0 114.701 -170.614 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -69.18 -45.18 70.59 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.73 0.812 . . . . 0.0 111.616 174.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -77.6 -24.85 49.55 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.581 1.152 . . . . 0.0 113.656 178.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.78 -37.56 76.57 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.087 0.955 . . . . 0.0 112.998 -178.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -64.87 -32.5 74.24 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 121.526 -0.734 . . . . 0.0 112.924 175.028 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -82.4 -27.36 32.07 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.366 1.066 . . . . 0.0 113.135 175.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -78.71 -37.52 20.65 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 O-C-N 121.267 -0.895 . . . . 0.0 111.558 176.007 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.88 -22.14 62.32 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 114.421 1.267 . . . . 0.0 114.421 -176.616 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -69.4 -8.34 45.75 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 119.341 0.973 . . . . 0.0 113.063 170.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -103.97 10.85 36.02 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 126.27 1.828 . . . . 0.0 113.188 174.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 24.2 p-10 -67.97 179.14 1.56 Allowed 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 114.1 1.148 . . . . 0.0 114.1 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 83.53 65.95 1.54 Allowed Glycine 0 CA--C 1.532 1.109 0 C-N-CA 124.208 0.909 . . . . 0.0 111.386 -172.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 13.8 p -59.66 141.06 55.84 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.818 1.247 . . . . 0.0 112.927 -177.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -106.02 134.54 48.98 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.891 1.676 . . . . 0.0 112.39 -175.132 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -157.27 174.49 15.37 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 126.64 1.976 . . . . 0.0 111.632 -175.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 56.28 31.02 17.74 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 126.136 1.774 . . . . 0.0 115.224 175.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 152.91 -38.55 0.74 Allowed Glycine 0 CA--C 1.531 1.064 0 C-N-CA 125.684 1.611 . . . . 0.0 112.18 176.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 71.3 m-20 -97.78 155.09 17.19 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.491 1.516 . . . . 0.0 110.837 168.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.92 90.59 3.18 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 125.777 1.631 . . . . 0.0 109.824 177.613 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -162.6 73.36 0.37 Allowed 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.481 1.112 . . . . 0.0 110.749 179.267 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 37.9 ttm180 -86.02 130.48 34.52 Favored 'General case' 0 N--CA 1.478 0.935 0 O-C-N 120.63 -1.294 . . . . 0.0 110.935 175.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 93.0 t -121.83 125.28 73.06 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 124.909 1.284 . . . . 0.0 109.352 175.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -161.68 142.57 10.92 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.865 2.066 . . . . 0.0 108.038 -169.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 5.7 p -128.13 109.33 19.8 Favored Pre-proline 0 CA--C 1.547 0.841 0 CA-C-N 119.225 0.92 . . . . 0.0 113.019 -169.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -75.61 48.1 2.06 Favored 'Trans proline' 0 CA--C 1.549 1.256 0 C-N-CA 124.169 3.246 . . . . 0.0 113.3 174.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 18.7 m-30 -78.52 -27.75 46.11 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.824 1.25 . . . . 0.0 112.489 162.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 19.0 m120 57.29 25.92 11.73 Favored 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 125.76 1.624 . . . . 0.0 114.387 -174.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 59.87 169.88 0.08 Allowed 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 127.627 2.371 . . . . 0.0 115.375 -174.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 4.4 mmt180 -146.15 143.36 29.26 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 125.815 1.646 . . . . 0.0 111.879 -178.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 . . . . . 0 C--O 1.255 1.365 0 C-N-CA 127.14 2.176 . . . . 0.0 114.105 177.223 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 101' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.112 1 O4'-C1'-N19 112.571 4.371 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 102' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.038 1 N19-C1'-C2' 122.656 5.785 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 103' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.569 0 C3'-C2'-C1' 104.698 3.553 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.319 1 C3'-C2'-C1' 105.206 4.118 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 105' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.32 0 P-O3'-C3' 123.323 3.02 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 106' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.367 2 O4'-C1'-N19 113.248 5.048 . 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.398 0 N-CA-C 111.428 -0.669 . . . . 0.0 111.428 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 22.6 t -149.58 158.29 44.04 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.934 1.294 . . . . 0.0 111.806 177.328 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 29.1 p80 -70.17 169.41 13.65 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.862 1.265 . . . . 0.0 113.479 -177.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.8 ttp -149.86 166.05 30.7 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.898 1.279 . . . . 0.0 111.63 178.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 14.8 p -130.2 142.98 42.39 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 125.406 1.482 . . . . 0.0 110.963 176.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 79.9 mt -132.36 -53.01 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 125.202 1.401 . . . . 0.0 111.022 -174.39 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 5.4 mtm180 -164.48 139.5 5.66 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 126.822 2.049 . . . . 0.0 110.408 175.26 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 55.41 22.01 4.68 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 126.122 1.769 . . . . 0.0 115.522 174.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.6 t 62.87 147.71 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 127.134 2.174 . . . . 0.0 114.748 -165.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 3.1 t -116.84 45.19 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 125.704 1.602 . . . . 0.0 110.548 -172.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 27.3 p -64.65 127.6 32.23 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.3 1.04 . . . . 0.0 111.298 176.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.8 ptt180 -153.12 133.24 13.39 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.462 1.105 . . . . 0.0 112.927 -171.353 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.2 mt -69.43 143.77 14.62 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 123.506 0.723 . . . . 0.0 109.649 175.555 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -111.77 149.36 31.81 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 126.157 1.783 . . . . 0.0 110.615 169.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.3 p -136.9 124.96 33.46 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 123.273 0.629 . . . . 0.0 111.113 165.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -90.83 138.44 14.37 Favored Glycine 0 CA--C 1.524 0.646 0 C-N-CA 125.992 1.758 . . . . 0.0 113.266 179.467 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 12.5 m120 52.59 42.12 31.38 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.334 1.453 . . . . 0.0 112.921 173.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.6 pp -61.36 156.6 50.61 Favored Pre-proline 0 CA--C 1.55 0.954 0 C-N-CA 125.567 1.547 . . . . 0.0 113.71 -173.209 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -69.84 122.26 8.92 Favored 'Trans proline' 0 CA--C 1.541 0.843 0 C-N-CA 122.787 2.324 . . . . 0.0 111.676 -179.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 38.3 m 52.99 -117.21 1.15 Allowed 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.353 1.461 . . . . 0.0 112.948 -178.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 35.5 p-80 -155.32 67.51 0.66 Allowed 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.561 1.544 . . . . 0.0 110.42 -174.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 12.3 p -54.02 136.55 15.57 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 124.679 1.192 . . . . 0.0 112.832 -176.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.0 m -71.46 144.83 49.57 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.746 0.818 . . . . 0.0 112.261 -179.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 16.5 m -57.42 -35.12 69.67 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.073 0.949 . . . . 0.0 113.233 -177.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -66.35 -29.46 69.65 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.12 0.968 . . . . 0.0 113.322 177.268 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -76.06 -47.14 25.77 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.417 0.687 . . . . 0.0 111.223 178.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 17.5 m -67.75 -33.49 62.05 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 CA-C-O 118.852 -0.594 . . . . 0.0 112.121 174.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 64.6 tt0 -55.04 -54.5 42.24 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 119.62 1.1 . . . . 0.0 111.071 171.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 62.6 m-80 -72.43 -23.39 61.07 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 114.004 1.112 . . . . 0.0 114.004 -178.062 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -68.87 -48.63 62.95 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 119.082 0.856 . . . . 0.0 111.605 167.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -79.94 -7.83 58.99 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 115.248 1.573 . . . . 0.0 115.248 -175.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 65.2 mtp180 -55.21 -25.13 30.94 Favored 'General case' 0 N--CA 1.487 1.419 0 CA-C-N 120.157 1.344 . . . . 0.0 113.711 167.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 70.1 tttt -60.24 -33.85 72.87 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 125.873 1.669 . . . . 0.0 113.327 169.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -91.56 -33.23 15.23 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.708 1.603 . . . . 0.0 111.381 -170.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 172.5 177.69 42.1 Favored Glycine 0 CA--C 1.534 1.277 0 C-N-CA 126.081 1.8 . . . . 0.0 112.251 174.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -70.38 90.01 0.7 Allowed 'General case' 0 CA--C 1.543 0.686 0 O-C-N 121.39 -1.065 . . . . 0.0 110.986 171.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -52.2 130.55 13.15 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 C-N-CA 125.375 1.47 . . . . 0.0 111.217 174.502 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 90.1 mt -92.03 -45.33 8.37 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.408 1.083 . . . . 0.0 112.702 -173.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.6 tmmm? -159.32 143.67 15.25 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 125.885 1.674 . . . . 0.0 110.132 176.247 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 30.1 p -146.07 148.1 32.3 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.825 0.85 . . . . 0.0 112.319 175.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -161.49 164.13 29.86 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.934 1.694 . . . . 0.0 111.705 -178.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.6 t -125.79 139.47 51.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 125.467 1.507 . . . . 0.0 111.388 -176.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.9 167.46 15.22 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 127.365 2.266 . . . . 0.0 110.941 -176.435 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.54 149.49 37.52 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.72 1.208 . . . . 0.0 112.477 169.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 73.0 p -96.8 167.02 11.36 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.659 1.184 . . . . 0.0 111.981 176.284 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 34.8 m -64.34 -17.21 20.61 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 174.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 18.3 t -72.19 -15.26 61.95 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.854 1.261 . . . . 0.0 113.093 170.135 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 90.63 0.08 76.28 Favored Glycine 0 CA--C 1.536 1.348 0 C-N-CA 125.602 1.572 . . . . 0.0 114.809 -179.003 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.07 140.89 45.65 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 118.518 1.159 . . . . 0.0 111.341 173.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -111.2 145.37 38.81 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.03 1.332 . . . . 0.0 112.38 -179.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -143.59 127.86 17.73 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 125.26 1.424 . . . . 0.0 111.373 -169.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -112.94 145.79 40.15 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 123.819 0.847 . . . . 0.0 111.422 176.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -131.91 133.3 44.42 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 124.432 1.093 . . . . 0.0 110.801 178.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.1 mp -136.39 106.7 5.56 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 C-N-CA 124.634 1.174 . . . . 0.0 110.379 -167.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 76.4 tt0 -77.48 127.4 32.45 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 125.003 1.321 . . . . 0.0 112.98 -175.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 2.7 m-30 -107.57 163.87 12.71 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 125.715 1.606 . . . . 0.0 114.672 -166.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -86.03 -55.04 4.13 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.253 1.421 . . . . 0.0 113.666 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.6 p-10 -149.47 112.42 4.86 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.528 1.131 . . . . 0.0 113.222 -170.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.87 -36.59 84.83 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 114.599 1.333 . . . . 0.0 114.599 -169.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -65.11 -43.89 90.55 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-N 118.699 0.681 . . . . 0.0 112.14 -175.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -73.87 -40.03 63.53 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.659 0.784 . . . . 0.0 111.26 178.218 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.38 -36.1 79.33 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 176.118 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.87 -34.66 73.44 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 113.638 0.977 . . . . 0.0 113.638 -177.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -66.09 -29.41 69.73 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 121.336 -0.852 . . . . 0.0 113.074 176.355 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -84.8 -29.45 25.38 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.245 1.018 . . . . 0.0 112.626 171.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -71.18 -35.97 60.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 O-C-N 121.054 -1.029 . . . . 0.0 112.334 178.049 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.89 -14.21 62.78 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 115.119 1.526 . . . . 0.0 115.119 -175.458 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -91.89 -6.82 50.79 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.169 0.987 . . . . 0.0 113.514 171.08 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 11.5 mmpt? -97.97 1.23 47.68 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 125.959 1.704 . . . . 0.0 113.439 171.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 13.7 p-10 -69.6 175.98 3.81 Favored 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 113.85 1.056 . . . . 0.0 113.85 -177.141 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 79.88 77.42 0.94 Allowed Glycine 0 CA--C 1.53 1.002 0 C-N-CA 124.098 0.856 . . . . 0.0 111.753 -176.075 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 17.6 p -60.8 150.59 32.19 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.54 1.136 . . . . 0.0 112.446 177.024 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -145.34 132.96 20.92 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.932 1.293 . . . . 0.0 111.268 -163.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 4.1 p90 -158.55 171.37 20.25 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 126.051 1.74 . . . . 0.0 111.633 -158.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 57.65 28.76 16.21 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 125.42 1.488 . . . . 0.0 114.074 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 164.28 -36.0 0.29 Allowed Glycine 0 CA--C 1.533 1.196 0 C-N-CA 125.728 1.632 . . . . 0.0 112.488 179.197 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 52.2 m-80 -107.99 161.98 14.45 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.902 1.681 . . . . 0.0 111.012 169.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.65 63.64 1.2 Allowed 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 126.036 1.735 . . . . 0.0 111.143 -170.317 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.4 mt -152.11 96.03 2.14 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.203 1.001 . . . . 0.0 112.958 -174.308 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 43.0 ttm-85 -108.97 89.72 3.08 Favored 'General case' 0 N--CA 1.481 1.121 0 O-C-N 120.927 -1.108 . . . . 0.0 110.358 161.169 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 97.4 t -80.88 125.41 39.4 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 168.276 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 68.4 tt0 -155.52 141.65 18.36 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-O 121.465 0.65 . . . . 0.0 112.727 -175.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 85.4 t -103.85 114.69 64.38 Favored Pre-proline 0 N--CA 1.476 0.842 0 C-N-CA 125.06 1.344 . . . . 0.0 111.326 -175.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -79.55 -22.95 7.57 Favored 'Trans proline' 0 CA--C 1.544 0.996 0 C-N-CA 122.904 2.403 . . . . 0.0 113.404 175.339 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 54.8 p90 -89.79 27.96 1.44 Allowed 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 125.876 1.671 . . . . 0.0 113.672 -178.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 50.4 p-10 -72.44 32.63 0.06 Allowed 'General case' 0 CA--C 1.555 1.145 0 N-CA-C 116.369 1.989 . . . . 0.0 116.369 -168.416 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -146.58 122.2 10.47 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.783 1.633 . . . . 0.0 110.482 170.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 13.4 tpt85 -155.75 -3.2 0.13 Allowed 'General case' 0 N--CA 1.484 1.252 0 N-CA-C 114.722 1.378 . . . . 0.0 114.722 -178.218 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.3 pm0 . . . . . 0 C--O 1.251 1.163 0 C-N-CA 126.355 1.862 . . . . 0.0 113.838 174.962 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 101' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.453 1 O4'-C1'-N19 116.172 7.972 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 102' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.317 0 O4'-C1'-N19 111.637 3.437 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 103' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.117 1 O4'-C1'-N19 112.571 4.371 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.784 0 C3'-C2'-C1' 104.411 3.234 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 105' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.651 0 C1'-O4'-C4' 106.933 -2.963 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 106' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.617 2.372 0 O4'-C1'-N19 111.434 3.234 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.672 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 21.4 m -62.15 152.02 34.22 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.505 1.122 . . . . 0.0 113.014 179.128 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 34.0 p80 -147.55 158.16 43.88 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.338 1.455 . . . . 0.0 111.392 179.252 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.8 ptp -162.47 170.97 17.82 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.121 1.368 . . . . 0.0 111.923 -174.014 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 10.6 p -123.03 156.24 28.71 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 126.364 1.866 . . . . 0.0 110.638 178.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 47.4 pt -60.49 149.79 7.25 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 124.538 1.135 . . . . 0.0 112.639 175.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -141.21 135.37 30.67 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.662 1.585 . . . . 0.0 110.634 -177.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 53.05 27.98 6.29 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 125.663 1.585 . . . . 0.0 114.101 179.027 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.6 t -158.53 -179.9 8.52 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.921 1.688 . . . . 0.0 111.674 -170.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.7 p -133.78 -29.96 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 C-N-CA 125.993 1.717 . . . . 0.0 113.625 -178.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 40.0 t -156.92 123.76 5.12 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.967 1.307 . . . . 0.0 110.287 177.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 25.1 ttp85 -152.13 135.59 16.04 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.762 0.825 . . . . 0.0 112.688 -173.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 13.2 mm -72.94 149.15 8.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 125.87 1.668 . . . . 0.0 111.252 170.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 45.8 t80 -132.74 132.78 42.67 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.428 1.091 . . . . 0.0 111.226 161.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.4 t -133.56 127.03 52.69 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 124.767 1.227 . . . . 0.0 108.951 170.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -115.41 144.5 18.45 Favored Glycine 0 CA--C 1.529 0.929 0 C-N-CA 125.116 1.341 . . . . 0.0 114.364 -172.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.1 m-80 57.51 21.14 6.74 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 126.463 1.905 . . . . 0.0 114.175 -175.274 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -67.4 145.89 98.58 Favored Pre-proline 0 CA--C 1.549 0.936 0 N-CA-C 114.412 1.264 . . . . 0.0 114.412 -161.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -70.8 169.05 21.18 Favored 'Trans proline' 0 CA--C 1.54 0.813 0 C-N-CA 123.626 2.884 . . . . 0.0 112.054 169.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.2 m -72.27 40.97 0.08 Allowed 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 126.321 1.848 . . . . 0.0 114.511 -179.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -67.25 -35.88 80.46 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.576 1.55 . . . . 0.0 113.62 -176.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 10.7 p -150.05 134.16 8.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 124.638 1.175 . . . . 0.0 111.241 -172.366 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 33.1 m -87.64 166.9 14.35 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.142 0.977 . . . . 0.0 112.139 176.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 58.7 p -57.22 -46.25 83.12 Favored 'General case' 0 N--CA 1.479 0.998 0 O-C-N 121.169 -0.957 . . . . 0.0 112.168 173.043 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -57.13 -37.16 71.59 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 126.239 1.816 . . . . 0.0 112.899 173.005 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 58.1 m-20 -75.24 -50.94 14.55 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.585 0.754 . . . . 0.0 111.473 179.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 4.2 p -67.04 -29.0 44.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 123.349 0.66 . . . . 0.0 112.66 -177.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 49.6 tt0 -56.15 -28.64 58.8 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.096 1.359 . . . . 0.0 112.883 170.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -105.33 -40.19 5.91 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.769 1.227 . . . . 0.0 112.948 -179.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.7 tp10 -66.85 -38.61 86.7 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.384 1.073 . . . . 0.0 113.251 -174.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 6.9 m-30 -70.61 -17.13 62.89 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 -179.14 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 64.3 mtp180 -60.2 -25.67 65.77 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 114.498 1.295 . . . . 0.0 114.498 -172.117 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.525 ' HE3' ' CD1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -73.47 -34.18 65.24 Favored 'General case' 0 N--CA 1.483 1.184 0 CA-C-N 119.082 0.855 . . . . 0.0 112.49 173.749 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.525 ' CD1' ' HE3' ' A' ' 30' ' ' LYS . 89.2 m-85 -79.89 -35.91 37.28 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 125.119 1.368 . . . . 0.0 112.071 178.624 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -178.41 165.33 34.53 Favored Glycine 0 CA--C 1.529 0.929 0 C-N-CA 124.171 0.891 . . . . 0.0 112.651 176.231 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 21.7 m120 -71.34 104.3 3.13 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 121.479 -1.013 . . . . 0.0 110.315 176.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -67.48 130.7 32.97 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 C-N-CA 124.291 1.037 . . . . 0.0 109.547 168.339 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 80.0 mt -99.29 -41.08 7.61 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.627 1.171 . . . . 0.0 112.323 -178.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.61 146.68 18.25 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 125.772 1.629 . . . . 0.0 110.633 175.021 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 26.7 p -143.43 143.79 31.76 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.734 1.214 . . . . 0.0 113.008 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -160.06 166.18 30.41 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.336 1.454 . . . . 0.0 111.667 170.238 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.5 p -134.78 128.33 50.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 125.08 1.352 . . . . 0.0 111.007 178.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.22 166.42 11.0 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 126.712 2.005 . . . . 0.0 110.47 -179.11 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.01 149.9 32.97 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.078 0.951 . . . . 0.0 113.092 166.29 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 69.0 p -100.56 166.39 10.94 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.192 1.397 . . . . 0.0 111.947 176.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 35.1 m -63.2 -18.64 22.06 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 176.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 20.4 m -72.55 -6.64 45.42 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.262 1.425 . . . . 0.0 113.716 171.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 85.07 -1.48 88.78 Favored Glycine 0 CA--C 1.537 1.449 0 C-N-CA 125.454 1.502 . . . . 0.0 114.826 -179.243 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.72 134.8 40.42 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 118.532 1.166 . . . . 0.0 111.388 173.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -106.6 154.25 21.17 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.79 1.236 . . . . 0.0 112.07 175.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -143.05 118.06 10.04 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.575 1.15 . . . . 0.0 110.972 -173.115 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -104.18 138.43 40.66 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.432 1.093 . . . . 0.0 112.915 -173.335 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -134.93 119.1 17.62 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.993 1.717 . . . . 0.0 109.612 -175.177 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.5 mp -135.95 119.37 23.58 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 123.928 0.891 . . . . 0.0 110.258 -178.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -84.21 130.6 34.82 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.777 1.231 . . . . 0.0 111.758 178.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -108.82 152.5 24.8 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.855 1.662 . . . . 0.0 111.948 174.289 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -74.97 -37.61 61.88 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.203 1.001 . . . . 0.0 112.14 160.2 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -92.11 171.13 9.29 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 126.412 1.885 . . . . 0.0 114.433 -172.317 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -130.86 -70.66 0.6 Allowed 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.675 1.19 . . . . 0.0 112.959 177.164 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -63.96 -39.47 94.21 Favored 'General case' 0 N--CA 1.484 1.273 0 O-C-N 121.119 -0.988 . . . . 0.0 112.673 -178.455 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -71.17 -39.63 71.74 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 123.325 0.65 . . . . 0.0 111.202 178.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.42 -33.37 75.4 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.915 0.886 . . . . 0.0 112.497 173.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.1 -15.52 62.48 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 177.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -63.32 -28.43 70.0 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 119.755 1.161 . . . . 0.0 112.575 172.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -74.52 -49.35 22.37 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 121.593 -0.692 . . . . 0.0 110.891 166.377 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -60.84 -37.85 77.57 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 C-N-CA 123.746 0.818 . . . . 0.0 112.523 -171.466 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.33 -9.25 52.48 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 114.498 1.296 . . . . 0.0 114.498 175.241 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.66 -28.78 13.38 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.917 1.687 . . . . 0.0 111.728 171.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -85.96 -22.5 27.35 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 114.538 1.31 . . . . 0.0 114.538 176.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 42.5 p30 -63.81 174.44 1.43 Allowed 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 115.137 1.532 . . . . 0.0 115.137 -173.521 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 88.07 70.41 1.28 Allowed Glycine 0 CA--C 1.532 1.098 0 C-N-CA 124.539 1.066 . . . . 0.0 110.574 -166.033 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 26.5 p -59.28 143.68 48.53 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.333 1.053 . . . . 0.0 112.196 -178.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -135.78 130.47 34.11 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.851 0.861 . . . . 0.0 112.193 -164.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 40.9 p90 -151.43 177.25 10.49 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 126.316 1.847 . . . . 0.0 111.346 -166.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 47.4 tt0 55.49 76.0 0.29 Allowed 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 126.082 1.753 . . . . 0.0 113.082 178.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 93.2 -31.22 6.47 Favored Glycine 0 CA--C 1.537 1.417 0 C-N-CA 125.612 1.577 . . . . 0.0 113.288 -174.089 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 68.4 m-20 -94.47 156.04 16.66 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.677 1.191 . . . . 0.0 110.86 165.209 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.73 89.8 2.4 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 125.075 1.35 . . . . 0.0 110.407 177.614 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -159.32 73.03 0.57 Allowed 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.485 1.114 . . . . 0.0 110.648 177.678 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 45.5 ttm-85 -81.25 134.53 35.62 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 120.727 -1.233 . . . . 0.0 110.629 174.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 53.5 t -136.03 132.08 49.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 125.873 1.669 . . . . 0.0 108.794 177.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -152.12 152.32 32.18 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.445 1.098 . . . . 0.0 110.555 -176.024 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 5.2 p -141.04 105.56 6.17 Favored Pre-proline 0 CA--C 1.543 0.691 0 C-N-CA 124.567 1.147 . . . . 0.0 111.868 -169.129 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -72.5 -25.31 18.06 Favored 'Trans proline' 0 CA--C 1.541 0.834 0 C-N-CA 122.759 2.306 . . . . 0.0 112.884 175.15 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 51.2 p90 -83.6 26.43 0.68 Allowed 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 124.933 1.293 . . . . 0.0 113.89 177.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -54.75 -25.96 31.19 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 125.206 1.402 . . . . 0.0 113.492 -179.091 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -136.06 157.16 47.51 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.646 1.579 . . . . 0.0 110.598 162.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -65.98 -30.89 71.52 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.586 1.154 . . . . 0.0 112.702 178.208 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 21.2 pt-20 . . . . . 0 C--O 1.253 1.265 0 C-N-CA 126.742 2.017 . . . . 0.0 113.457 -172.337 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 101' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.41 1 O4'-C1'-N19 114.963 6.763 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 102' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.193 1 O4'-C1'-N19 112.945 4.745 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 103' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.455 0 O4'-C1'-N19 112.078 3.878 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.679 2 O4'-C1'-N19 113.557 5.357 . 0.074 4g . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 105' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.523 0 C5'-C4'-C3' 112.366 -2.089 . 0.01 5j . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 106' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.13 0 O4'-C1'-N19 111.515 3.315 . 0.01 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.191 0 CA-C-O 117.828 -1.54 . . . . 0.0 109.263 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 69.9 m -149.3 75.98 1.3 Allowed 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 119.318 1.559 . . . . 0.0 111.518 -175.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 18.4 p80 -51.38 139.2 20.0 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.583 1.553 . . . . 0.0 112.418 178.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.9 mtm -145.07 158.08 43.92 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 126.302 1.841 . . . . 0.0 109.592 -177.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 14.4 p -144.47 148.83 17.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 124.135 0.974 . . . . 0.0 111.208 -169.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -120.79 145.44 27.24 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.505 0 C-N-CA 124.815 1.246 . . . . 0.0 110.924 -169.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -67.1 19.2 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 127.175 2.19 . . . . 0.0 115.134 176.182 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 63.8 tt0 -155.22 145.64 22.02 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 128.433 2.693 . . . . 0.0 107.622 178.109 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.5 p -69.03 -52.19 31.24 Favored 'General case' 0 N--CA 1.475 0.816 0 O-C-N 121.087 -1.008 . . . . 0.0 113.543 -170.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.5 t 60.69 102.95 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 C-N-CA 128.141 2.576 . . . . 0.0 114.319 177.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 40.6 t -62.22 116.76 5.27 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.262 1.025 . . . . 0.0 112.422 178.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -144.02 154.47 43.29 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.989 1.316 . . . . 0.0 114.425 -173.278 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 59.8 mt -97.28 146.57 7.42 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 126.712 2.005 . . . . 0.0 109.544 163.001 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.41 ' CZ ' H5'' ' B' ' 102' ' ' ' C' . 9.4 t80 -125.76 136.33 53.04 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 126.07 1.748 . . . . 0.0 111.87 168.367 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 56.6 t -131.58 119.32 42.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 124.618 1.167 . . . . 0.0 109.58 168.296 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -106.8 147.17 16.17 Favored Glycine 0 CA--C 1.527 0.795 0 C-N-CA 125.406 1.479 . . . . 0.0 113.559 -179.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 15.7 m120 55.54 39.99 31.08 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.313 1.045 . . . . 0.0 112.537 -179.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.7 112.81 6.21 Favored Pre-proline 0 CA--C 1.554 1.117 0 C-N-CA 125.104 1.362 . . . . 0.0 113.133 -172.264 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -68.02 158.43 57.44 Favored 'Trans proline' 0 C--N 1.351 0.694 0 C-N-CA 122.646 2.23 . . . . 0.0 111.622 177.13 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 66.4 m 58.44 11.49 1.69 Allowed 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 125.889 1.676 . . . . 0.0 114.931 -174.03 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 43.96 47.83 7.16 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 126.334 1.854 . . . . 0.0 112.842 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 16.2 m -55.96 121.22 3.61 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 CA-C-O 122.027 0.918 . . . . 0.0 112.608 -171.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 m -65.9 145.07 56.36 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 124.993 1.317 . . . . 0.0 111.905 -175.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 88.7 p -53.54 -52.9 58.19 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.391 0.676 . . . . 0.0 112.355 -177.438 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.68 -34.43 72.85 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 124.962 1.305 . . . . 0.0 113.747 -176.334 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.4 -46.77 69.09 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 123.433 0.693 . . . . 0.0 111.418 -177.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.3 t -77.21 -34.23 21.08 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 122.555 0.342 . . . . 0.0 111.027 177.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 66.7 tt0 -52.68 -40.1 62.57 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 125.833 1.653 . . . . 0.0 112.53 173.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -66.55 -32.97 74.65 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 112.932 0.716 . . . . 0.0 112.932 177.654 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -83.4 -36.4 24.32 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.69 1.196 . . . . 0.0 112.476 177.138 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -53.84 -24.97 17.42 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.408 1.083 . . . . 0.0 112.821 177.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 58.7 mtp180 -52.26 -30.02 25.81 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 114.288 1.218 . . . . 0.0 114.288 178.281 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.11 -18.88 52.47 Favored 'General case' 0 N--CA 1.491 1.576 0 CA-C-N 120.497 1.499 . . . . 0.0 113.437 174.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -94.22 -16.31 23.76 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.587 1.955 . . . . 0.0 112.643 177.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 156.1 174.02 25.39 Favored Glycine 0 CA--C 1.534 1.222 0 C-N-CA 124.785 1.183 . . . . 0.0 112.694 177.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 73.3 m-80 -83.83 137.03 33.89 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 121.642 -0.917 . . . . 0.0 112.404 175.311 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -102.87 133.0 47.83 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 C-N-CA 127.103 2.161 . . . . 0.0 110.401 179.343 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 46.7 mt -92.96 -46.21 7.59 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.702 0.801 . . . . 0.0 111.597 176.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.41 170.8 19.37 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 126.152 1.781 . . . . 0.0 111.588 164.178 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 15.4 p -153.15 155.08 36.05 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.592 1.157 . . . . 0.0 111.76 174.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -156.05 177.79 11.02 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 126.014 1.726 . . . . 0.0 110.71 172.325 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 45.4 t -124.49 117.64 51.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 124.812 1.245 . . . . 0.0 110.765 176.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 41.9 mtpt -78.89 160.27 27.37 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.768 1.227 . . . . 0.0 111.083 168.379 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.03 157.9 42.94 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.325 1.05 . . . . 0.0 110.726 162.339 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 12.3 t -141.78 154.55 45.31 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.361 1.065 . . . . 0.0 111.371 -179.101 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.8 p -58.31 -29.12 37.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 N-CA-C 114.808 1.411 . . . . 0.0 114.808 -159.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.1 t -77.68 40.07 0.29 Allowed 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 125.613 1.565 . . . . 0.0 113.923 178.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 61.89 32.2 81.1 Favored Glycine 0 CA--C 1.536 1.366 0 O-C-N 120.927 -1.108 . . . . 0.0 114.72 175.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -129.81 157.47 42.14 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 118.641 1.22 . . . . 0.0 113.33 -169.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -140.49 150.73 44.13 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.989 1.315 . . . . 0.0 112.134 -177.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -133.98 120.77 20.71 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 125.8 1.64 . . . . 0.0 110.39 -176.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -89.6 139.25 30.73 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 118.858 0.754 . . . . 0.0 110.242 168.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -131.91 148.34 52.53 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 124.238 1.015 . . . . 0.0 111.017 176.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.5 mp -141.33 122.99 13.81 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 125.291 1.436 . . . . 0.0 109.4 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -78.61 124.29 28.01 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.736 1.214 . . . . 0.0 109.611 169.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -143.89 137.27 27.75 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 113.984 1.105 . . . . 0.0 113.984 -156.128 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -84.04 -52.4 6.33 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 115.789 1.774 . . . . 0.0 115.789 -162.29 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -110.66 80.92 1.36 Allowed 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.695 0.798 . . . . 0.0 112.446 -165.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -49.39 -34.92 17.47 Favored 'General case' 0 CA--C 1.55 0.945 0 N-CA-C 114.936 1.458 . . . . 0.0 114.936 -174.455 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -91.66 -13.23 32.14 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 116.086 1.884 . . . . 0.0 116.086 179.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -70.23 -46.7 63.94 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-O 122.619 1.199 . . . . 0.0 108.655 154.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -71.85 -7.8 50.56 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 126.11 1.764 . . . . 0.0 114.611 -171.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -53.43 -32.4 49.66 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.929 0.892 . . . . 0.0 111.733 167.107 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -53.89 -42.18 68.4 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.891 0.877 . . . . 0.0 113.02 170.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.22 -12.86 62.04 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.19 0.996 . . . . 0.0 113.372 -174.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -106.13 -42.17 6.52 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 C-N-CA 123.654 0.782 . . . . 0.0 111.176 168.198 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.8 -14.6 62.03 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 114.94 1.459 . . . . 0.0 114.94 -168.43 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -105.26 2.75 29.31 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 167.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -126.27 -8.06 6.43 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 125.749 1.62 . . . . 0.0 114.234 -172.429 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -70.3 175.43 4.66 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.887 1.275 . . . . 0.0 112.275 174.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 93.69 50.19 2.38 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.628 -0.989 . . . . 0.0 110.628 -170.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 26.8 p -58.78 149.34 26.76 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 122.501 1.143 . . . . 0.0 113.206 -169.45 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -123.08 129.06 50.98 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 126.479 1.912 . . . . 0.0 109.918 -165.433 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -156.81 170.28 22.83 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.319 1.448 . . . . 0.0 109.752 -174.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 63.97 20.39 12.18 Favored 'General case' 0 N--CA 1.482 1.13 0 N-CA-C 114.733 1.383 . . . . 0.0 114.733 177.296 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 178.7 -80.52 0.06 OUTLIER Glycine 0 CA--C 1.523 0.531 0 N-CA-C 107.892 -2.083 . . . . 0.0 107.892 178.194 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -64.52 169.48 4.8 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 123.335 0.654 . . . . 0.0 111.958 158.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.67 120.76 18.82 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 127.159 2.184 . . . . 0.0 110.247 164.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 57.9 tp -167.75 122.27 0.98 Allowed 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 126.722 2.009 . . . . 0.0 109.942 164.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 11.4 ttp180 -136.77 140.7 42.74 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.36 1.064 . . . . 0.0 110.815 177.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 39.3 t -144.67 141.02 23.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 125.053 1.341 . . . . 0.0 109.305 -173.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -146.2 145.49 30.46 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.831 0.852 . . . . 0.0 109.309 160.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 31.5 m -105.38 87.84 2.31 Favored Pre-proline 0 N--CA 1.469 0.484 0 O-C-N 121.636 -0.665 . . . . 0.0 109.265 167.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -61.99 -4.9 5.42 Favored 'Trans proline' 0 CA--C 1.542 0.908 0 C-N-CA 122.801 2.334 . . . . 0.0 115.332 -173.106 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -75.74 8.56 2.91 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 115.179 1.548 . . . . 0.0 115.179 166.035 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 18.3 p-10 -67.54 59.49 0.06 Allowed 'General case' 0 CA--C 1.553 1.074 0 N-CA-C 117.476 2.399 . . . . 0.0 117.476 -164.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -129.98 -149.53 0.4 Allowed 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 128.666 2.786 . . . . 0.0 107.04 156.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 67.87 -35.78 0.28 Allowed 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 127.131 2.172 . . . . 0.0 115.117 179.348 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 . . . . . 0 C--O 1.253 1.25 0 C-N-CA 126.318 1.847 . . . . 0.0 113.613 172.082 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 101' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.427 1 O4'-C1'-N19 115.421 7.221 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 102' ' ' ' C' . . . . . 0.41 H5'' ' CZ ' ' A' ' 11' ' ' TYR . . . . . . . . 0 P--O3' 1.571 -2.997 2 C4'-C3'-C2' 97.489 -5.211 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 103' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.328 5 O4'-C1'-N19 114.741 6.541 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.405 0 N19-C1'-C2' 118.299 3.062 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 105' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.977 0 C5'-C4'-C3' 109.782 -3.812 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 106' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.212 0 C5'-C4'-O4' 112.904 2.646 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.71 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 77.9 p -77.94 25.94 0.2 Allowed 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 126.42 1.888 . . . . 0.0 115.138 -174.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -64.96 -41.47 95.43 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.529 1.132 . . . . 0.0 113.773 -172.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.2 mmm 52.49 26.23 4.1 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 126.277 1.831 . . . . 0.0 115.281 174.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 13.3 p -71.16 137.63 23.39 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 124.464 1.106 . . . . 0.0 112.631 -174.122 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.6 pp -138.55 150.36 24.05 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 126.757 2.023 . . . . 0.0 110.147 173.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 3.6 tpt180 56.14 -170.49 0.08 Allowed 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 125.763 1.625 . . . . 0.0 112.6 -172.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 58.77 22.55 10.18 Favored 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 115.62 1.711 . . . . 0.0 115.62 174.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.7 m -141.17 164.9 29.01 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 126.657 1.983 . . . . 0.0 111.386 -178.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.6 p -135.05 132.91 53.43 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 124.889 1.276 . . . . 0.0 111.848 -177.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 20.8 m -83.2 73.86 10.06 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.716 1.206 . . . . 0.0 112.516 -172.293 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 71.0 mtt180 -79.3 122.13 25.96 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.573 1.149 . . . . 0.0 110.932 172.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 45.6 mt -81.87 155.82 4.07 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 125.014 1.326 . . . . 0.0 110.265 170.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -140.66 142.04 34.99 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.062 1.345 . . . . 0.0 111.681 166.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 47.3 t -140.23 134.52 35.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.825 0 C-N-CA 126.171 1.788 . . . . 0.0 108.532 167.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -130.31 143.64 14.93 Favored Glycine 0 CA--C 1.532 1.113 0 C-N-CA 124.312 0.958 . . . . 0.0 114.951 -173.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.4 t30 54.68 41.07 32.19 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 125.257 1.423 . . . . 0.0 111.935 -169.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.61 154.92 92.44 Favored Pre-proline 0 CA--C 1.551 1.015 0 C-N-CA 125.273 1.429 . . . . 0.0 112.708 175.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -68.41 121.17 8.1 Favored 'Trans proline' 0 CA--C 1.54 0.789 0 C-N-CA 123.07 2.514 . . . . 0.0 111.986 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.4 t 60.89 166.65 0.09 Allowed 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 126.758 2.023 . . . . 0.0 115.071 -175.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 22.2 t-160 -77.66 88.31 3.94 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 120.647 -1.283 . . . . 0.0 109.898 171.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 27.2 m -62.68 150.12 9.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 125.136 1.374 . . . . 0.0 113.0 -178.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 71.1 m -89.9 138.84 31.16 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.837 0.855 . . . . 0.0 111.037 170.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.6 m -55.51 -35.73 65.93 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.445 1.098 . . . . 0.0 113.516 -175.171 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.42 ' H ' ' HD2' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -71.9 -34.62 69.27 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 125.423 1.489 . . . . 0.0 112.883 178.612 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -72.67 -37.73 67.82 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.518 0.727 . . . . 0.0 111.287 175.464 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 47.7 t -63.59 -46.16 95.66 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 CA-C-O 119.125 -0.464 . . . . 0.0 110.465 171.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -53.39 -49.2 67.74 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.621 0.769 . . . . 0.0 111.68 173.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -61.89 -37.43 84.55 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 113.059 0.763 . . . . 0.0 113.059 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 63.6 tt0 -73.58 -41.46 62.85 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 118.906 0.775 . . . . 0.0 112.905 175.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -77.64 -30.02 51.96 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 113.909 1.078 . . . . 0.0 113.909 -172.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.0 ppt_? -68.28 0.3 3.96 Favored 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 117.607 2.447 . . . . 0.0 117.607 -166.113 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.434 ' HE3' ' CE2' ' A' ' 31' ' ' TYR . 0.9 OUTLIER -61.33 -27.23 68.34 Favored 'General case' 0 N--CA 1.481 1.101 0 N-CA-C 114.384 1.253 . . . . 0.0 114.384 -178.577 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.434 ' CE2' ' HE3' ' A' ' 30' ' ' LYS . 71.7 m-85 -91.96 -29.53 16.59 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 114.003 1.112 . . . . 0.0 114.003 177.38 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -179.13 171.35 43.33 Favored Glycine 0 CA--C 1.536 1.377 0 C-N-CA 124.93 1.252 . . . . 0.0 112.84 -175.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -85.72 142.86 28.7 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 113.589 0.959 . . . . 0.0 113.589 -176.004 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -88.42 144.88 8.23 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 C-N-CA 126.489 1.916 . . . . 0.0 111.034 166.707 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -97.67 -39.78 8.91 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.503 1.521 . . . . 0.0 112.861 172.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.18 134.38 13.26 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 125.478 1.511 . . . . 0.0 110.341 -168.785 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 24.3 p -142.82 152.93 42.72 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 119.709 1.141 . . . . 0.0 113.249 179.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -151.9 153.0 33.29 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 126.345 1.858 . . . . 0.0 110.655 -174.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 59.5 t -133.96 139.49 48.34 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 C-N-CA 124.974 1.309 . . . . 0.0 110.094 -178.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 61.4 mmtt -137.47 170.28 16.35 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 126.498 1.919 . . . . 0.0 111.875 -167.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.7 161.93 40.19 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 125.165 1.386 . . . . 0.0 112.821 176.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.9 t -114.09 158.33 21.39 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.283 1.433 . . . . 0.0 111.64 172.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 35.6 m -61.51 -19.78 21.52 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 C-N-CA 124.786 1.234 . . . . 0.0 113.211 174.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 24.7 m -72.23 -4.02 26.97 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.785 1.234 . . . . 0.0 114.048 170.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 91.23 -9.3 77.89 Favored Glycine 0 CA--C 1.538 1.504 0 C-N-CA 125.822 1.677 . . . . 0.0 115.608 174.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.83 154.97 40.38 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 118.731 1.265 . . . . 0.0 112.331 172.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -123.64 156.86 35.07 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.217 1.407 . . . . 0.0 112.238 178.005 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -139.28 144.4 38.34 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 125.883 1.673 . . . . 0.0 110.908 -171.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -127.0 143.97 51.15 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 118.967 0.803 . . . . 0.0 112.042 173.365 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 -137.13 131.23 32.32 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.229 1.412 . . . . 0.0 110.864 -175.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.8 mp -143.08 122.04 8.13 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 124.235 1.014 . . . . 0.0 109.699 -163.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -93.29 109.52 21.06 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.054 0.942 . . . . 0.0 111.488 -175.378 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -91.6 155.86 18.05 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 113.584 0.957 . . . . 0.0 113.584 179.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -73.91 -20.25 60.45 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 113.82 1.044 . . . . 0.0 113.82 174.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -153.2 140.13 19.17 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 125.643 1.577 . . . . 0.0 112.993 -178.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.76 -45.56 24.29 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 113.664 0.987 . . . . 0.0 113.664 -172.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 -63.42 -26.75 68.88 Favored 'General case' 0 N--CA 1.482 1.166 0 N-CA-C 113.641 0.978 . . . . 0.0 113.641 -172.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -74.31 -51.51 14.99 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.565 1.546 . . . . 0.0 111.61 179.242 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.62 -17.71 61.65 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 113.874 1.064 . . . . 0.0 113.874 173.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.55 -27.77 68.86 Favored 'General case' 0 CA--C 1.549 0.917 0 O-C-N 120.784 -1.197 . . . . 0.0 112.346 170.023 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -71.85 -23.07 61.47 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 121.265 -0.897 . . . . 0.0 113.374 170.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -77.83 -41.99 35.2 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.836 0.854 . . . . 0.0 112.852 177.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -66.36 -39.58 84.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 O-C-N 121.057 -1.027 . . . . 0.0 111.243 178.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.51 -24.53 64.68 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 114.663 1.357 . . . . 0.0 114.663 -178.596 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -83.51 -20.04 34.65 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-N 119.72 1.146 . . . . 0.0 113.218 171.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -92.03 -1.84 57.02 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 125.875 1.67 . . . . 0.0 113.582 173.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 18.6 p-10 -64.46 169.47 4.75 Favored 'General case' 0 CA--C 1.55 0.976 0 N-CA-C 116.256 1.946 . . . . 0.0 116.256 -162.26 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 95.25 87.06 1.72 Allowed Glycine 0 CA--C 1.531 1.092 0 C-N-CA 125.432 1.491 . . . . 0.0 112.412 -178.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 26.4 p -69.6 151.14 46.3 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 123.66 0.784 . . . . 0.0 111.568 168.316 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 83.1 m-20 -125.76 144.52 50.6 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.169 1.387 . . . . 0.0 112.271 -179.104 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 9.8 p90 -156.79 166.95 31.92 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 126.727 2.011 . . . . 0.0 111.23 -175.327 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 58.37 22.99 10.04 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 126.007 1.723 . . . . 0.0 115.252 179.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 173.37 -74.06 0.09 OUTLIER Glycine 0 CA--C 1.529 0.956 0 C-N-CA 125.182 1.372 . . . . 0.0 111.261 175.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 32.7 m-20 -71.07 171.92 10.06 Favored 'General case' 0 CA--C 1.552 1.057 0 C-N-CA 124.355 1.062 . . . . 0.0 111.509 163.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.4 tpmt? -145.87 118.93 8.8 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.119 1.368 . . . . 0.0 111.834 178.58 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.5 mt -166.11 147.18 6.65 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 126.163 1.785 . . . . 0.0 109.953 176.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 30.6 ttm-85 -143.21 137.43 28.97 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-O 121.778 0.799 . . . . 0.0 113.133 169.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -145.56 115.36 1.64 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 C-N-CA 127.049 2.139 . . . . 0.0 108.662 -175.466 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 62.1 tt0 -167.11 129.31 1.69 Allowed 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.631 1.572 . . . . 0.0 108.195 -162.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -117.85 105.06 48.14 Favored Pre-proline 0 N--CA 1.477 0.915 0 CA-C-N 119.964 1.256 . . . . 0.0 111.37 -172.012 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_endo -77.04 45.7 1.76 Allowed 'Trans proline' 0 CA--C 1.551 1.338 0 C-N-CA 124.032 3.155 . . . . 0.0 114.488 -173.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 21.4 m-30 -72.66 -26.95 61.83 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.789 1.236 . . . . 0.0 113.467 172.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 65.7 t30 54.27 34.25 20.04 Favored 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 125.479 1.511 . . . . 0.0 113.577 -176.244 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -148.62 -38.72 0.17 Allowed 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 115.194 1.553 . . . . 0.0 115.194 -172.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 34.6 mmt180 -129.51 7.88 5.36 Favored 'General case' 0 N--CA 1.484 1.251 0 N-CA-C 115.525 1.676 . . . . 0.0 115.525 -169.327 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 . . . . . 0 C--O 1.253 1.259 0 CA-C-O 118.173 -0.918 . . . . 0.0 112.7 165.123 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 101' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.63 0 C4'-C3'-C2' 99.429 -3.271 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 102' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.289 1 O4'-C1'-N19 112.962 4.762 . 0.073 1z . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 103' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.324 3 O4'-C1'-N19 116.501 8.301 . 0.028 4a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.626 3.306 3 O4'-C1'-N19 116.465 8.265 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 105' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.261 2 P-O3'-C3' 124.854 4.295 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 106' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.655 0 C3'-C2'-C1' 104.884 3.76 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.647 0 N-CA-C 111.883 -0.487 . . . . 0.0 111.883 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 87.9 p -152.7 153.66 33.71 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.666 1.186 . . . . 0.0 112.33 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 54.7 m80 -131.65 4.38 4.24 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.947 1.299 . . . . 0.0 114.258 -169.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.5 ttp -79.82 159.12 26.61 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.0 0.92 . . . . 0.0 111.334 173.045 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 6.3 t -78.41 62.22 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 C-N-CA 124.891 1.277 . . . . 0.0 111.71 -175.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 29.4 mm -135.03 117.72 22.77 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 126.692 1.997 . . . . 0.0 108.803 178.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.0 tpm_? -65.34 -38.37 89.91 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.204 1.002 . . . . 0.0 113.607 -171.034 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -93.83 11.78 28.15 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.174 1.39 . . . . 0.0 114.303 -176.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.0 t 62.13 174.97 0.13 Allowed 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 125.904 1.681 . . . . 0.0 113.714 -166.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 13.1 p -138.75 137.44 42.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 124.543 1.137 . . . . 0.0 113.234 -158.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 39.2 t -81.89 131.86 35.26 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 124.294 1.038 . . . . 0.0 111.473 172.155 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.9 ptt180 -157.65 136.06 11.15 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 125.134 1.374 . . . . 0.0 112.046 179.04 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 79.5 mt -79.39 144.02 11.59 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 C-N-CA 124.989 1.315 . . . . 0.0 109.507 175.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -121.4 134.02 55.1 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.495 1.518 . . . . 0.0 111.09 170.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 22.9 m -133.03 141.8 43.86 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 C-N-CA 124.381 1.073 . . . . 0.0 109.691 163.098 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -137.26 171.31 23.2 Favored Glycine 0 CA--C 1.525 0.669 0 C-N-CA 125.398 1.475 . . . . 0.0 112.658 -173.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 45.6 m-20 51.61 27.04 3.67 Favored 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 124.29 1.036 . . . . 0.0 112.329 -176.388 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.7 pp -76.19 153.0 84.29 Favored Pre-proline 0 CA--C 1.549 0.909 0 C-N-CA 124.757 1.223 . . . . 0.0 112.513 -162.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -65.28 117.61 4.73 Favored 'Trans proline' 0 CA--C 1.54 0.785 0 C-N-CA 123.298 2.665 . . . . 0.0 111.659 -176.023 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.2 m 50.08 -117.81 1.08 Allowed 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.367 1.467 . . . . 0.0 111.84 -174.488 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 44.9 p-80 -152.66 140.33 19.87 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.812 1.245 . . . . 0.0 111.198 173.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 17.4 m -92.07 146.75 5.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 125.214 1.405 . . . . 0.0 110.461 170.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 52.3 p -79.67 167.31 20.84 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 121.506 -0.746 . . . . 0.0 111.459 167.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.0 m -56.52 -30.53 63.15 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.038 0.935 . . . . 0.0 112.703 172.242 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.44 -44.42 44.41 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.676 1.191 . . . . 0.0 111.823 178.19 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -64.48 -47.06 80.38 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 123.553 0.741 . . . . 0.0 111.894 177.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 4.7 p -68.69 -36.02 72.56 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 122.86 0.464 . . . . 0.0 111.968 -178.284 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 51.8 tt0 -62.96 -50.61 70.1 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 121.283 -0.886 . . . . 0.0 111.771 172.26 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -65.72 -29.14 69.62 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -179.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -73.93 -53.68 9.58 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.8 0.84 . . . . 0.0 112.377 172.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -74.55 -16.02 60.84 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 114.873 1.434 . . . . 0.0 114.873 -173.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.87 -27.69 53.0 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-N 120.276 1.398 . . . . 0.0 114.382 177.556 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.74 -23.88 56.06 Favored 'General case' 0 N--CA 1.481 1.119 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 176.347 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -77.4 -35.74 54.02 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.012 1.325 . . . . 0.0 110.657 176.351 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 163.31 -168.21 37.91 Favored Glycine 0 CA--C 1.532 1.105 0 C-N-CA 125.226 1.393 . . . . 0.0 112.92 175.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -73.74 102.4 3.97 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 123.469 0.707 . . . . 0.0 111.632 -178.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -73.09 133.19 32.23 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.542 0 C-N-CA 126.278 1.831 . . . . 0.0 110.45 164.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -98.02 -42.2 7.61 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.205 1.002 . . . . 0.0 112.558 173.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -157.46 150.68 23.6 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 126.295 1.838 . . . . 0.0 110.123 -173.639 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.9 p -142.96 150.38 39.61 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.669 1.187 . . . . 0.0 112.113 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -158.18 157.2 32.23 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.861 1.264 . . . . 0.0 111.643 174.136 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.4 t -128.04 132.5 68.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 125.126 1.37 . . . . 0.0 110.174 178.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.9 174.46 9.72 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 126.017 1.727 . . . . 0.0 111.148 -177.383 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.07 148.66 37.04 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.926 1.291 . . . . 0.0 113.121 177.737 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.5 t -85.74 158.63 19.98 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.383 1.073 . . . . 0.0 111.359 170.292 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 10.1 p -58.08 -23.84 22.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 C-N-CA 124.899 1.28 . . . . 0.0 112.562 168.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.9 t -70.92 -10.74 60.23 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 124.613 1.165 . . . . 0.0 113.834 172.13 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 97.21 -10.2 65.42 Favored Glycine 0 CA--C 1.539 1.565 0 C-N-CA 126.024 1.773 . . . . 0.0 116.168 172.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.09 148.08 47.83 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 119.166 1.483 . . . . 0.0 112.304 173.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -110.06 150.34 28.7 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.039 1.336 . . . . 0.0 112.465 178.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -140.09 129.42 23.94 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 125.439 1.496 . . . . 0.0 111.02 -175.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -108.42 138.08 45.32 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.354 1.062 . . . . 0.0 110.854 174.012 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -129.78 136.28 49.42 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 125.004 1.321 . . . . 0.0 110.695 -179.403 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.5 mp -136.67 109.14 7.62 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 C-N-CA 123.935 0.894 . . . . 0.0 110.04 -169.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -67.92 133.03 48.43 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.695 1.198 . . . . 0.0 111.003 177.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -133.83 145.3 49.59 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 124.331 1.052 . . . . 0.0 113.62 -166.163 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -87.2 -41.34 13.8 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 113.574 0.953 . . . . 0.0 113.574 -177.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -123.61 85.52 2.43 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.06 1.344 . . . . 0.0 112.269 -167.263 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.4 ' HB1' ' CD1' ' A' ' 82' ' ' PHE . . . -58.57 -42.06 87.12 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 114.387 1.254 . . . . 0.0 114.387 -174.216 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.38 -41.56 80.38 Favored 'General case' 0 N--CA 1.481 1.099 0 O-C-N 121.088 -1.007 . . . . 0.0 112.151 178.397 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -66.56 -40.83 89.22 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.38 0.672 . . . . 0.0 110.819 178.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.52 -43.95 97.56 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.178 0.991 . . . . 0.0 112.677 173.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.38 -40.71 75.02 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 113.368 0.877 . . . . 0.0 113.368 -175.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -64.74 -26.73 68.49 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 113.65 0.982 . . . . 0.0 113.65 177.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -90.77 -32.82 15.97 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.556 1.143 . . . . 0.0 113.034 172.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -70.81 -34.73 57.37 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 O-C-N 120.855 -1.153 . . . . 0.0 111.642 -179.627 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.63 -22.22 66.11 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 114.419 1.266 . . . . 0.0 114.419 -174.038 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.94 -14.75 62.48 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 119.723 1.147 . . . . 0.0 113.244 171.375 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 10.7 mmpt? -91.64 2.27 56.58 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 125.246 1.419 . . . . 0.0 113.547 171.059 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -67.92 170.86 7.48 Favored 'General case' 0 CA--C 1.55 0.98 0 N-CA-C 114.426 1.269 . . . . 0.0 114.426 -173.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 79.2 85.92 0.55 Allowed Glycine 0 CA--C 1.532 1.098 0 C-N-CA 124.593 1.092 . . . . 0.0 112.115 -176.356 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 29.5 p -64.66 157.37 27.4 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 123.953 0.901 . . . . 0.0 112.537 176.205 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -146.83 146.62 30.29 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.642 1.177 . . . . 0.0 112.488 -173.406 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -152.32 178.71 9.24 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 125.499 1.52 . . . . 0.0 111.376 -165.314 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 55.65 64.99 1.58 Allowed 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 125.404 1.482 . . . . 0.0 113.574 170.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 101.73 -13.97 57.72 Favored Glycine 0 CA--C 1.536 1.405 0 C-N-CA 125.418 1.485 . . . . 0.0 113.991 -173.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -120.98 164.5 16.64 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.648 1.979 . . . . 0.0 109.635 163.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.29 95.66 2.19 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.455 0.702 . . . . 0.0 111.142 -172.377 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.8 mt -166.92 137.77 3.19 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.924 1.69 . . . . 0.0 110.607 172.175 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 23.9 ttm180 -142.2 138.54 31.56 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.995 1.318 . . . . 0.0 111.028 173.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 98.2 t -143.89 125.1 10.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 125.168 1.387 . . . . 0.0 109.287 -173.511 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -157.56 131.41 8.07 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.991 0.917 . . . . 0.0 110.854 174.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.4 m -96.4 109.14 46.22 Favored Pre-proline 0 N--CA 1.473 0.707 0 O-C-N 121.468 -0.77 . . . . 0.0 110.614 174.004 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -65.54 -22.41 58.67 Favored 'Trans proline' 0 CA--C 1.541 0.856 0 C-N-CA 122.645 2.23 . . . . 0.0 113.317 -176.113 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.4 ' CD1' ' HB1' ' A' ' 56' ' ' ALA . 29.7 p90 -74.96 -21.38 59.2 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.449 1.1 . . . . 0.0 113.858 171.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 3.5 m120 58.55 -69.87 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 127.832 2.453 . . . . 0.0 114.248 -169.095 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -160.73 166.6 28.46 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 126.864 2.066 . . . . 0.0 111.12 176.064 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.2 tpm_? -78.26 51.15 0.98 Allowed 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 124.723 1.209 . . . . 0.0 112.624 175.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 . . . . . 0 C--O 1.25 1.131 0 C-N-CA 126.33 1.852 . . . . 0.0 112.884 -173.625 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 101' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.341 1 O4'-C1'-N19 114.04 5.84 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 102' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.049 0 N19-C1'-C2' 119.141 3.588 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 103' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.687 0 O4'-C1'-N19 111.474 3.274 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.617 2.383 0 O4'-C1'-N19 111.802 3.602 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 105' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.892 0 O5'-C5'-C4' 115.772 3.98 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 106' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.447 0 C1'-O4'-C4' 107.471 -2.366 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.621 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 20.2 m -66.49 -39.99 89.04 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 113.971 1.101 . . . . 0.0 113.971 -173.19 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 61.4 t60 52.32 48.17 23.21 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 125.926 1.69 . . . . 0.0 114.009 178.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.9 mtt -114.64 159.57 20.33 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.699 1.6 . . . . 0.0 112.813 -179.229 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 76.7 t -127.46 136.19 61.23 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 126.439 1.895 . . . . 0.0 109.971 -177.06 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . 0.265 24.6 mt 55.6 52.86 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 C-N-CA 125.915 1.686 . . . . 0.0 110.844 -175.011 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -153.17 137.87 16.96 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 126.143 1.777 . . . . 0.0 110.526 172.519 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -75.77 135.54 40.3 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.481 1.112 . . . . 0.0 111.992 177.095 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.7 m -69.37 126.82 30.94 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.859 0.864 . . . . 0.0 112.009 178.167 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 85.0 t -95.04 118.06 40.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 124.571 1.148 . . . . 0.0 111.093 -176.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 43.7 t -79.88 139.24 37.21 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.25 0.62 . . . . 0.0 111.676 171.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.15 142.74 19.72 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.43 1.092 . . . . 0.0 113.411 174.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.9 mp -78.61 148.99 5.81 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 124.993 1.317 . . . . 0.0 109.549 170.282 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -122.08 142.62 50.17 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.835 1.654 . . . . 0.0 111.33 167.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 47.3 t -135.95 127.71 44.82 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 125.019 1.328 . . . . 0.0 108.684 168.442 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -115.47 155.99 15.94 Favored Glycine 0 CA--C 1.527 0.8 0 C-N-CA 124.828 1.204 . . . . 0.0 114.38 -174.117 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.9 m120 52.42 41.38 30.73 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.6 1.16 . . . . 0.0 111.509 -174.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 25.7 tp -58.71 122.01 58.12 Favored Pre-proline 0 CA--C 1.548 0.885 0 C-N-CA 126.963 2.105 . . . . 0.0 112.822 -165.594 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_endo -77.55 163.7 29.21 Favored 'Trans proline' 0 CA--C 1.541 0.839 0 C-N-CA 123.475 2.784 . . . . 0.0 111.912 167.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.3 t 64.79 -24.77 0.08 Allowed 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 117.162 2.282 . . . . 0.0 117.162 175.316 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 27.6 m170 56.92 55.67 5.97 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 126.327 1.851 . . . . 0.0 112.884 176.403 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 6.0 m -52.7 131.09 14.42 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 125.137 1.375 . . . . 0.0 113.053 -179.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 59.9 m -72.86 166.81 22.24 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.506 1.122 . . . . 0.0 112.027 175.078 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 88.4 p -55.17 -37.76 67.43 Favored 'General case' 0 N--CA 1.477 0.899 0 O-C-N 121.29 -0.881 . . . . 0.0 112.984 178.035 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -64.69 -34.72 78.98 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.959 1.303 . . . . 0.0 113.259 175.684 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 -80.77 -47.18 14.28 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.534 1.134 . . . . 0.0 112.041 -179.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 4.2 p -68.59 -28.65 41.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 C-N-CA 123.486 0.714 . . . . 0.0 112.042 -177.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -56.89 -60.99 2.75 Favored 'General case' 0 N--CA 1.47 0.55 0 O-C-N 121.464 -0.772 . . . . 0.0 111.254 167.097 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.3 m-20 -63.69 -28.6 70.01 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.494 0.718 . . . . 0.0 112.718 -176.091 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -66.04 -52.36 49.84 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 123.491 0.717 . . . . 0.0 112.115 169.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -81.28 -18.64 45.21 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 115.862 1.801 . . . . 0.0 115.862 -172.298 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 19.5 mtp180 -56.56 -26.69 55.8 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-N 121.469 1.94 . . . . 0.0 114.199 178.669 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.25 -28.0 61.02 Favored 'General case' 0 N--CA 1.482 1.154 0 CA-C-N 119.302 0.956 . . . . 0.0 113.492 174.436 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -74.23 -36.67 63.93 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.863 1.265 . . . . 0.0 110.684 174.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 164.68 177.94 37.67 Favored Glycine 0 CA--C 1.534 1.247 0 C-N-CA 125.978 1.752 . . . . 0.0 111.863 177.165 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -78.29 116.7 18.91 Favored 'General case' 0 CA--C 1.547 0.833 0 O-C-N 121.447 -1.031 . . . . 0.0 112.282 -175.269 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -80.77 138.22 20.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 126.739 2.016 . . . . 0.0 111.561 176.647 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -96.65 -43.72 7.44 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.563 1.145 . . . . 0.0 112.587 172.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -155.15 147.32 23.73 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 126.158 1.783 . . . . 0.0 110.388 -178.129 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 29.5 p -145.59 148.93 33.67 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.937 0.895 . . . . 0.0 112.092 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -160.33 162.06 33.38 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.487 1.115 . . . . 0.0 111.741 173.711 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 60.5 t -124.87 129.15 73.56 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 C-N-CA 125.182 1.393 . . . . 0.0 109.865 178.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.85 169.53 8.77 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.894 1.677 . . . . 0.0 111.141 178.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.12 148.93 37.41 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.519 1.128 . . . . 0.0 112.783 173.207 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.9 t -89.58 158.43 17.64 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 124.568 1.147 . . . . 0.0 111.239 171.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 34.9 m -60.69 -19.31 18.89 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 C-N-CA 124.615 1.166 . . . . 0.0 112.959 169.633 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 13.2 t -72.18 -11.68 60.84 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 124.628 1.171 . . . . 0.0 113.377 170.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 98.19 -10.5 63.61 Favored Glycine 0 CA--C 1.539 1.548 0 C-N-CA 126.043 1.783 . . . . 0.0 115.834 173.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.76 150.47 44.4 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 119.0 1.4 . . . . 0.0 112.329 173.355 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -115.91 156.17 26.66 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.313 1.445 . . . . 0.0 112.569 178.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -143.5 124.06 14.03 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.901 1.28 . . . . 0.0 111.302 -174.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -95.13 142.5 27.5 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.675 0.79 . . . . 0.0 111.773 173.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -133.96 132.59 40.35 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.903 1.281 . . . . 0.0 110.304 174.115 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.7 mp -136.68 107.46 5.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 124.136 0.974 . . . . 0.0 110.264 -170.15 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 51.1 tt0 -74.91 132.69 41.64 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.795 1.638 . . . . 0.0 112.235 -177.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -134.84 155.52 50.52 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.695 1.598 . . . . 0.0 113.105 -165.17 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -94.27 -31.51 14.05 Favored 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 114.664 1.357 . . . . 0.0 114.664 179.038 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -126.85 103.96 7.78 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 125.091 1.356 . . . . 0.0 112.465 -176.215 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.87 -54.22 38.27 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.823 1.249 . . . . 0.0 113.577 -178.447 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -70.75 -24.78 62.68 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 114.067 1.136 . . . . 0.0 114.067 -174.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -70.32 -45.84 65.42 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.533 0.733 . . . . 0.0 111.035 170.665 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.7 -35.18 80.02 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.76 0.824 . . . . 0.0 113.132 176.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.37 -40.55 74.74 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.965 0.906 . . . . 0.0 112.862 -179.281 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -66.22 -28.29 68.63 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 178.039 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -87.89 -28.58 21.46 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.565 1.146 . . . . 0.0 113.432 175.134 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -77.96 -36.37 21.8 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 O-C-N 121.171 -0.956 . . . . 0.0 111.569 176.666 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.67 -25.39 66.54 Favored 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 114.074 1.139 . . . . 0.0 114.074 -178.125 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -71.83 -7.83 50.71 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-N 119.363 0.983 . . . . 0.0 113.488 172.326 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.0 mmpp? -94.44 -0.72 54.56 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 125.263 1.425 . . . . 0.0 113.785 169.43 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 20.4 p-10 -65.37 171.85 3.63 Favored 'General case' 0 CA--C 1.551 1.007 0 N-CA-C 115.685 1.735 . . . . 0.0 115.685 -166.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 87.97 79.47 1.26 Allowed Glycine 0 CA--C 1.531 1.045 0 C-N-CA 124.925 1.25 . . . . 0.0 110.898 -171.271 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 24.4 p -62.94 139.69 58.77 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.175 0.99 . . . . 0.0 112.671 -177.512 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -101.25 128.74 47.25 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 125.644 1.578 . . . . 0.0 111.632 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 44.2 p90 -149.82 175.13 11.9 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 127.434 2.294 . . . . 0.0 110.234 -178.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 47.2 tt0 56.76 81.27 0.14 Allowed 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 125.937 1.695 . . . . 0.0 112.666 -178.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 81.58 -43.44 2.93 Favored Glycine 0 CA--C 1.536 1.347 0 C-N-CA 124.976 1.274 . . . . 0.0 113.236 -173.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 36.6 m-20 -77.37 153.84 33.34 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 117.791 0.795 . . . . 0.0 110.624 165.57 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.61 102.51 3.94 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.117 1.367 . . . . 0.0 111.301 177.785 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -165.5 81.99 0.33 Allowed 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.194 1.398 . . . . 0.0 109.796 170.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 14.8 ttm180 -86.46 133.91 33.72 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 120.837 -1.164 . . . . 0.0 111.215 178.357 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.8 m -138.47 123.1 21.99 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 125.271 1.428 . . . . 0.0 110.36 -179.475 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -163.31 153.2 15.45 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 126.072 1.749 . . . . 0.0 109.174 179.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 32.3 m -129.61 135.82 28.14 Favored Pre-proline 0 N--CA 1.477 0.905 0 O-C-N 121.294 -0.879 . . . . 0.0 111.812 175.225 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -68.49 -21.95 39.45 Favored 'Trans proline' 0 CA--C 1.539 0.773 0 C-N-CA 123.315 2.677 . . . . 0.0 113.245 178.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 22.0 p90 -81.97 10.28 6.8 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 114.94 1.459 . . . . 0.0 114.94 179.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -72.33 55.68 0.34 Allowed 'General case' 0 CA--C 1.557 1.227 0 C-N-CA 125.901 1.68 . . . . 0.0 113.674 -179.401 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -151.88 36.87 0.56 Allowed 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 126.891 2.076 . . . . 0.0 111.307 -177.34 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 7.7 tpt180 -121.08 29.0 7.56 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 125.807 1.643 . . . . 0.0 114.16 -165.034 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 . . . . . 0 C--O 1.253 1.278 0 C-N-CA 126.919 2.088 . . . . 0.0 113.645 177.707 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 101' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.552 2.523 2 O4'-C1'-N19 113.514 5.314 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 102' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.38 4 O4'-C1'-N19 114.717 6.517 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 103' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.324 0 O5'-C5'-C4' 115.205 3.575 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.481 2 O4'-C1'-N19 113.707 5.507 . 0.057 4g . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 105' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.489 0 O5'-C5'-C4' 115.739 3.957 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1[' 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 106' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.527 0 C5'-C4'-O4' 112.539 2.385 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.622 0 N-CA-C 111.451 -0.66 . . . . 0.0 111.451 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 38.7 t -153.76 -48.69 0.09 Allowed 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.241 1.016 . . . . 0.0 112.919 178.032 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 17.2 p80 -154.12 164.58 38.27 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.881 1.673 . . . . 0.0 111.465 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.0 mmt -102.33 -52.17 3.19 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 113.89 1.071 . . . . 0.0 113.89 -176.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 5.3 t 49.01 56.66 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.325 0 C-N-CA 125.619 1.568 . . . . 0.0 113.199 173.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 47.9 pt -70.98 -2.65 2.83 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.205 0 N-CA-C 115.189 1.552 . . . . 0.0 115.189 -175.25 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 66.6 mtp180 -101.32 -174.15 2.54 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 127.095 2.158 . . . . 0.0 113.681 -172.177 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 67.32 3.41 3.26 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 128.158 2.583 . . . . 0.0 115.739 178.256 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.0 p -158.19 163.81 37.15 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 127.512 2.325 . . . . 0.0 109.685 174.59 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.7 p -122.15 -54.94 3.03 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.312 0 N-CA-C 113.867 1.062 . . . . 0.0 113.867 -174.076 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 58.2 m -118.62 110.18 17.02 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.936 1.295 . . . . 0.0 111.289 -172.226 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.69 147.46 42.79 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 114.111 1.152 . . . . 0.0 114.111 -168.178 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.0 mt -82.35 149.99 4.54 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 C-N-CA 125.85 1.66 . . . . 0.0 109.911 160.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -135.09 146.78 49.2 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.988 1.715 . . . . 0.0 110.73 166.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 47.9 t -133.11 123.02 47.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 124.811 1.245 . . . . 0.0 109.456 168.406 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -89.77 136.13 13.33 Favored Glycine 0 CA--C 1.525 0.706 0 C-N-CA 125.266 1.412 . . . . 0.0 113.074 -179.473 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.2 m120 54.2 45.04 28.19 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.285 1.034 . . . . 0.0 112.311 176.459 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.4 tp -50.77 124.48 20.06 Favored Pre-proline 0 CA--C 1.551 0.992 0 C-N-CA 126.919 2.088 . . . . 0.0 112.367 -170.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -71.63 116.94 4.9 Favored 'Trans proline' 0 CA--C 1.54 0.79 0 C-N-CA 122.837 2.358 . . . . 0.0 111.034 176.515 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.6 t 60.95 162.62 0.06 Allowed 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 126.43 1.892 . . . . 0.0 114.705 -171.267 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 12.2 p80 -85.24 104.21 14.9 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 120.638 -1.289 . . . . 0.0 110.266 175.149 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 17.4 m -77.56 146.61 8.17 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 C-N-CA 123.924 0.889 . . . . 0.0 111.437 178.234 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 55.1 m -81.71 141.52 33.51 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.328 0.651 . . . . 0.0 111.803 174.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 31.0 p -53.34 -59.17 4.91 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.773 1.629 . . . . 0.0 112.764 -178.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.531 ' H ' ' HD3' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -61.94 -26.27 68.09 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 126.227 1.811 . . . . 0.0 114.783 177.882 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -75.7 -42.96 49.5 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 119.001 0.819 . . . . 0.0 111.871 175.112 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 90.3 t -64.59 -42.22 94.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 O-C-N 122.014 -0.428 . . . . 0.0 110.754 172.263 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -52.97 -53.79 44.64 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.451 0.7 . . . . 0.0 111.342 172.464 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -61.56 -35.43 77.77 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 113.079 0.77 . . . . 0.0 113.079 -177.022 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 63.0 tt0 -68.6 -43.19 76.96 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 118.721 0.691 . . . . 0.0 112.23 171.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -82.99 -12.28 57.41 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 115.436 1.643 . . . . 0.0 115.436 -172.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -53.97 -26.02 23.67 Favored 'General case' 0 N--CA 1.486 1.335 0 CA-C-N 120.753 1.615 . . . . 0.0 114.342 177.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.421 ' HE3' ' CD1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -69.03 -11.79 61.1 Favored 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 114.927 1.455 . . . . 0.0 114.927 174.384 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.421 ' CD1' ' HE3' ' A' ' 30' ' ' LYS . 47.5 m-85 -101.92 8.27 41.2 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 125.481 1.512 . . . . 0.0 113.34 173.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 124.23 -169.38 16.31 Favored Glycine 0 CA--C 1.534 1.251 0 C-N-CA 125.219 1.39 . . . . 0.0 114.487 176.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -86.36 110.21 19.53 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-O 121.948 0.88 . . . . 0.0 112.163 177.482 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -68.32 139.23 21.02 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 C-N-CA 126.475 1.91 . . . . 0.0 109.943 169.03 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -86.96 -56.87 3.19 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.901 0.881 . . . . 0.0 111.167 175.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.69 159.97 39.98 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 125.379 1.472 . . . . 0.0 112.286 168.089 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 20.6 p -134.84 149.88 50.41 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.442 1.497 . . . . 0.0 111.323 176.194 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -159.13 167.1 30.02 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-O 121.509 0.671 . . . . 0.0 112.061 169.202 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 46.2 t -128.85 128.83 67.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 124.997 1.319 . . . . 0.0 110.308 -175.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.467 ' HE3' ' CD1' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -115.13 170.7 8.16 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.773 1.629 . . . . 0.0 111.042 -178.649 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.51 150.34 34.36 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.433 1.093 . . . . 0.0 113.126 172.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.0 t -90.13 157.17 17.88 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.607 1.163 . . . . 0.0 111.327 170.658 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.1 p -59.21 -22.6 22.66 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 124.841 1.257 . . . . 0.0 112.63 169.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 13.5 t -68.74 -12.29 61.29 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 124.509 1.124 . . . . 0.0 113.609 171.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 100.98 -11.46 58.88 Favored Glycine 0 CA--C 1.535 1.305 0 C-N-CA 126.032 1.777 . . . . 0.0 115.803 172.282 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.1 141.93 49.18 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 119.015 1.408 . . . . 0.0 112.258 174.185 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -103.96 160.23 15.0 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.149 1.38 . . . . 0.0 112.186 174.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -145.38 121.36 10.69 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.767 1.227 . . . . 0.0 111.57 -177.102 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -92.11 140.92 29.15 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.233 0.613 . . . . 0.0 111.596 172.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.467 ' CD1' ' HE3' ' A' ' 40' ' ' LYS . 69.3 m-85 -138.83 139.82 38.31 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.904 1.282 . . . . 0.0 111.083 174.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.5 mp -140.45 124.37 17.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 125.094 1.357 . . . . 0.0 109.719 -177.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -83.04 132.29 35.13 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.535 0.734 . . . . 0.0 110.729 172.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -140.66 150.01 42.97 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 -166.666 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -87.18 -18.36 30.53 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -168.491 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -145.4 117.19 8.18 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 119.736 1.153 . . . . 0.0 112.802 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.16 -38.55 80.02 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.26 1.424 . . . . 0.0 113.848 177.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.61 -28.5 30.76 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.492 0.717 . . . . 0.0 112.796 -171.501 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -74.82 -42.46 57.98 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 123.314 0.646 . . . . 0.0 110.617 169.105 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.76 -25.27 67.85 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 114.166 1.173 . . . . 0.0 114.166 174.24 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.74 -28.96 67.82 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 121.059 -1.026 . . . . 0.0 113.457 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -66.69 -19.66 65.81 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 113.53 0.937 . . . . 0.0 113.53 175.299 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -76.11 -59.29 2.83 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 118.847 0.749 . . . . 0.0 111.353 172.551 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -57.66 -40.45 75.44 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 O-C-N 121.443 -0.786 . . . . 0.0 111.276 -174.342 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.55 -18.03 65.01 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 115.032 1.493 . . . . 0.0 115.032 -179.749 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -99.02 -24.42 14.92 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-N 119.804 1.184 . . . . 0.0 113.461 170.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -84.84 -0.38 53.77 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.089 1.356 . . . . 0.0 113.479 173.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 21.1 p-10 -66.38 178.6 1.17 Allowed 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 126.126 1.77 . . . . 0.0 115.532 -170.087 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 96.05 69.41 1.02 Allowed Glycine 0 CA--C 1.528 0.897 0 C-N-CA 125.329 1.442 . . . . 0.0 111.203 -174.012 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 9.7 p -66.42 118.23 9.78 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.275 1.03 . . . . 0.0 111.669 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -88.5 135.7 33.35 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.187 0.995 . . . . 0.0 112.922 179.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 45.2 p90 -148.81 170.97 17.04 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 127.485 2.314 . . . . 0.0 109.984 175.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 49.0 tt0 55.72 82.62 0.1 Allowed 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 126.182 1.793 . . . . 0.0 113.786 179.479 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 84.56 -9.09 65.91 Favored Glycine 0 CA--C 1.537 1.467 0 C-N-CA 124.822 1.201 . . . . 0.0 114.982 -178.308 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 71.6 m-80 -130.89 148.54 52.67 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 126.523 1.929 . . . . 0.0 109.686 168.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.71 101.68 5.78 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.647 1.579 . . . . 0.0 109.65 -175.767 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -166.29 70.13 0.12 Allowed 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.603 1.161 . . . . 0.0 111.016 175.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 50.3 ttm-85 -76.47 149.66 36.76 Favored 'General case' 0 N--CA 1.478 0.941 0 O-C-N 120.589 -1.319 . . . . 0.0 112.544 178.533 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -145.63 121.64 3.62 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 125.434 1.494 . . . . 0.0 110.224 178.376 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -162.86 151.75 14.78 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 127.238 2.215 . . . . 0.0 108.494 178.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 28.1 m -129.38 112.14 18.03 Favored Pre-proline 0 N--CA 1.475 0.814 0 CA-C-N 119.704 1.138 . . . . 0.0 112.333 -176.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -72.55 88.12 0.9 Allowed 'Trans proline' 0 CA--C 1.547 1.125 0 C-N-CA 123.368 2.712 . . . . 0.0 113.097 178.335 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -117.53 42.1 2.67 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 126.983 2.113 . . . . 0.0 111.067 169.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -74.53 41.62 0.15 Allowed 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 125.864 1.665 . . . . 0.0 114.358 -172.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -142.46 15.16 2.0 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 126.535 1.934 . . . . 0.0 113.767 -174.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.2 tpt180 -140.1 18.17 2.44 Favored 'General case' 0 N--CA 1.483 1.217 0 N-CA-C 115.008 1.484 . . . . 0.0 115.008 -171.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 19.1 tp10 . . . . . 0 N--CA 1.482 1.154 0 C-N-CA 126.591 1.957 . . . . 0.0 112.354 -178.799 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 101' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.544 1 O4'-C1'-N19 114.997 6.797 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 102' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.182 1 O4'-C1'-N19 113.147 4.947 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 103' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.675 3 O5'-C5'-C4' 117.223 5.016 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.617 2.407 3 O4'-C1'-N19 119.318 11.118 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 105' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.705 0 O4'-C1'-N19 111.69 3.49 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 106' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.675 0 C5'-C4'-C3' 111.811 -2.459 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.558 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 9.0 t -70.12 169.74 12.91 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.845 0.858 . . . . 0.0 112.503 172.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 36.6 m80 62.47 163.87 0.1 Allowed 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 127.325 2.25 . . . . 0.0 113.929 -168.293 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.9 ttp -151.34 137.97 18.76 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.328 1.051 . . . . 0.0 111.598 174.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.2 p -154.43 142.58 13.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 126.057 1.743 . . . . 0.0 109.587 176.477 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 11.5 tt -161.89 159.88 1.6 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 126.191 1.796 . . . . 0.0 110.202 175.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -121.67 129.39 52.74 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 124.678 1.191 . . . . 0.0 111.787 178.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 55.62 27.79 11.02 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 126.035 1.734 . . . . 0.0 114.285 -177.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . 0.298 65.5 p 49.89 -105.52 0.18 Allowed 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 127.197 2.199 . . . . 0.0 113.123 -169.68 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.3 m 41.0 70.97 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 C-N-CA 127.339 2.256 . . . . 0.0 112.72 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.9 p -43.33 114.29 0.61 Allowed 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 126.861 2.064 . . . . 0.0 113.853 -172.489 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.35 137.51 50.4 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.475 1.11 . . . . 0.0 112.95 -178.254 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.6 mt -75.51 138.49 20.78 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 168.101 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -109.38 137.69 46.86 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.644 1.578 . . . . 0.0 109.763 167.111 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.7 m -136.36 134.36 49.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 124.068 0.947 . . . . 0.0 109.512 163.288 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -126.6 157.6 20.41 Favored Glycine 0 CA--C 1.528 0.845 0 C-N-CA 125.972 1.748 . . . . 0.0 113.146 -173.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 59.6 m-80 55.11 24.59 6.28 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 124.476 1.11 . . . . 0.0 113.157 -175.018 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -65.82 142.13 97.99 Favored Pre-proline 0 CA--C 1.549 0.933 0 C-N-CA 123.789 0.835 . . . . 0.0 112.776 -171.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -70.01 162.41 42.29 Favored 'Trans proline' 0 CA--C 1.542 0.877 0 C-N-CA 122.783 2.322 . . . . 0.0 111.2 164.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 31.5 p 56.39 -12.43 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 129.198 2.999 . . . . 0.0 118.525 174.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 52.53 55.23 9.39 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 126.684 1.994 . . . . 0.0 113.291 172.319 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 12.8 p -50.06 128.25 6.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 125.36 1.464 . . . . 0.0 113.231 -172.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 40.9 m -68.06 157.66 34.72 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.033 1.333 . . . . 0.0 112.935 -176.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 65.5 p -55.22 -46.06 75.94 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.361 1.065 . . . . 0.0 112.713 177.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.57 -38.41 77.83 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 126.051 1.741 . . . . 0.0 113.316 176.475 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -78.23 -49.52 13.59 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 123.674 0.789 . . . . 0.0 112.275 177.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.0 p -66.83 -35.4 74.66 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 123.084 0.554 . . . . 0.0 111.761 -175.466 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -57.06 -58.88 6.27 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 118.941 0.791 . . . . 0.0 111.355 174.003 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -68.63 -25.76 65.01 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 113.139 0.792 . . . . 0.0 113.139 -174.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -70.89 -44.31 66.54 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 121.634 -0.667 . . . . 0.0 112.128 168.279 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -79.36 -17.73 53.88 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 113.707 1.003 . . . . 0.0 113.707 -175.328 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 51.8 mtp180 -52.44 -27.94 18.06 Favored 'General case' 0 N--CA 1.486 1.337 0 CA-C-N 120.077 1.308 . . . . 0.0 114.003 172.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.57 -32.59 74.31 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.65 1.18 . . . . 0.0 112.535 174.659 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -92.48 -14.88 27.81 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.91 1.284 . . . . 0.0 114.311 -178.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 170.17 173.57 37.63 Favored Glycine 0 CA--C 1.532 1.137 0 CA-C-N 119.467 1.03 . . . . 0.0 114.203 175.594 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -69.96 104.19 2.46 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 121.819 -0.813 . . . . 0.0 110.182 171.106 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.2 tp -84.14 122.01 37.29 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 C-N-CA 126.696 1.998 . . . . 0.0 110.337 175.113 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -87.42 -49.74 7.02 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.034 1.334 . . . . 0.0 112.751 178.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -156.67 146.14 20.63 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 125.825 1.65 . . . . 0.0 111.912 -176.587 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 21.4 p -146.51 151.67 37.74 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.579 1.151 . . . . 0.0 112.416 176.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -162.91 161.52 25.82 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.444 1.498 . . . . 0.0 111.522 175.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 22.9 t -107.8 130.7 59.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 125.138 1.375 . . . . 0.0 110.465 175.46 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.0 170.97 8.09 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 126.526 1.93 . . . . 0.0 110.729 177.76 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.3 161.09 41.07 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 124.723 1.209 . . . . 0.0 113.559 178.52 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 9.9 t -116.16 160.68 20.04 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 125.569 1.548 . . . . 0.0 112.169 177.279 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 34.6 m -61.93 -20.17 23.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 125.466 1.506 . . . . 0.0 113.425 175.084 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 13.1 t -70.35 -11.9 61.22 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.529 1.132 . . . . 0.0 113.341 171.164 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 94.82 -7.73 70.52 Favored Glycine 0 CA--C 1.534 1.278 0 C-N-CA 125.797 1.665 . . . . 0.0 115.226 177.244 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.04 154.28 41.92 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 118.513 1.157 . . . . 0.0 112.265 171.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -128.12 156.13 43.33 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.347 1.459 . . . . 0.0 111.457 177.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -145.24 123.49 12.24 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.385 1.074 . . . . 0.0 111.507 -169.234 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -93.14 136.71 33.15 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 118.545 0.612 . . . . 0.0 111.028 170.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -123.91 132.45 53.74 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.851 1.261 . . . . 0.0 109.895 176.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.3 mp -135.32 105.35 5.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 124.596 1.159 . . . . 0.0 110.305 -169.145 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -85.45 110.83 19.45 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 125.603 1.561 . . . . 0.0 113.373 -170.392 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -101.65 157.31 16.92 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.94 1.296 . . . . 0.0 114.262 178.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 46.0 tp10 -82.83 -29.39 29.51 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 125.561 1.544 . . . . 0.0 113.317 166.063 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -121.1 89.06 3.06 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.195 1.398 . . . . 0.0 113.369 -165.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.35 -42.17 95.2 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 114.553 1.316 . . . . 0.0 114.553 -174.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -69.6 -36.36 76.13 Favored 'General case' 0 N--CA 1.48 1.043 0 O-C-N 120.811 -1.181 . . . . 0.0 112.565 178.342 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -70.47 -40.63 73.53 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 123.114 0.566 . . . . 0.0 110.853 177.101 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.68 -26.08 67.8 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.869 1.268 . . . . 0.0 113.976 174.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.41 -22.6 66.28 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 113.682 0.993 . . . . 0.0 113.682 178.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -67.18 -21.49 65.79 Favored 'General case' 0 CA--C 1.543 0.711 0 O-C-N 120.975 -1.078 . . . . 0.0 113.313 173.238 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -76.03 -54.4 6.91 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 119.063 0.847 . . . . 0.0 111.256 171.329 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -60.44 -40.45 84.23 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 O-C-N 121.598 -0.689 . . . . 0.0 110.798 -174.613 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.72 -9.18 41.53 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 115.517 1.673 . . . . 0.0 115.517 -178.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -109.02 -19.46 13.38 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 113.992 1.108 . . . . 0.0 113.992 168.553 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 11.0 mmpt? -88.81 -14.52 36.8 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 125.024 1.33 . . . . 0.0 113.949 174.329 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 54.2 p30 -62.25 174.36 0.94 Allowed 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 125.671 1.588 . . . . 0.0 115.246 -177.355 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 88.13 65.9 1.32 Allowed Glycine 0 CA--C 1.532 1.151 0 C-N-CA 124.772 1.177 . . . . 0.0 111.661 -171.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 28.9 p -62.15 154.39 27.36 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.14 0.976 . . . . 0.0 112.448 176.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -148.62 152.26 36.43 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.228 1.011 . . . . 0.0 112.468 -174.056 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 2.5 p90 -161.17 170.27 20.66 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.574 1.549 . . . . 0.0 111.834 -160.501 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 59.57 21.51 10.09 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 125.733 1.613 . . . . 0.0 114.656 -179.309 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 175.33 -64.45 0.1 Allowed Glycine 0 CA--C 1.529 0.918 0 C-N-CA 125.26 1.41 . . . . 0.0 111.244 176.336 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -77.52 156.05 31.22 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.808 0.843 . . . . 0.0 111.562 167.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -121.27 107.24 12.3 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 126.452 1.901 . . . . 0.0 109.383 176.135 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.1 mt -171.43 129.89 0.7 Allowed 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 126.059 1.744 . . . . 0.0 110.324 168.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 18.6 ttm180 -140.27 140.43 35.73 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.677 1.191 . . . . 0.0 110.998 171.073 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 86.2 t -145.41 123.97 5.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 125.319 1.448 . . . . 0.0 108.67 -171.016 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -157.57 158.3 35.35 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 124.111 0.964 . . . . 0.0 111.495 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 4.1 m -123.13 129.02 25.11 Favored Pre-proline 0 N--CA 1.472 0.674 0 C-N-CA 124.107 0.963 . . . . 0.0 111.169 173.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -70.04 -26.08 26.63 Favored 'Trans proline' 0 CA--C 1.541 0.873 0 C-N-CA 122.669 2.246 . . . . 0.0 112.361 173.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 44.8 p90 -80.89 -32.22 34.9 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 113.94 1.089 . . . . 0.0 113.94 -179.143 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 51.37 68.55 0.78 Allowed 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 126.234 1.814 . . . . 0.0 113.371 178.41 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 54.64 -146.08 0.58 Allowed 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 125.465 1.506 . . . . 0.0 112.693 -172.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -148.91 -49.51 0.15 Allowed 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 124.401 1.08 . . . . 0.0 112.097 -179.054 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 . . . . . 0 C--O 1.254 1.303 0 C-N-CA 125.47 1.508 . . . . 0.0 113.36 174.141 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 101' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.227 0 C4'-C3'-C2' 99.309 -3.391 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 102' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.198 1 O4'-C1'-N19 115.161 6.961 . 0.053 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 103' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.185 0 O3'-P-O5' 97.153 -3.604 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.994 1 C5'-C4'-C3' 108.978 -4.348 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 105' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.687 0 O5'-C5'-C4' 115.748 3.963 . 0.0 OUTLIER '7D dist 5z' 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 106' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.964 0 O4'-C1'-N19 111.734 3.534 . 0.496 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.429 0 N-CA-C 108.989 -1.645 . . . . 0.0 108.989 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 23.4 m -149.61 67.77 1.01 Allowed 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 121.657 0.741 . . . . 0.0 111.432 -140.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -158.22 123.63 4.45 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 125.78 1.632 . . . . 0.0 108.296 -169.327 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.447 ' HG3' ' H ' ' A' ' 2' ' ' VAL . 13.7 ptt? -155.03 -96.47 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 119.229 0.922 . . . . 0.0 112.778 179.59 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.447 ' H ' ' HG3' ' A' ' 1' ' ' MET . 38.3 t -76.57 83.88 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 CA-C-N 119.368 0.985 . . . . 0.0 110.707 -175.254 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 19.5 tt -159.09 156.71 3.57 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 126.065 1.746 . . . . 0.0 109.778 178.362 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.1 mmt180 -107.44 -22.07 12.69 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 115.135 1.532 . . . . 0.0 115.135 -179.458 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -98.35 166.0 11.59 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 124.718 1.207 . . . . 0.0 111.602 165.074 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.3 t -90.32 145.14 25.2 Favored 'General case' 0 N--CA 1.479 0.981 0 O-C-N 120.671 -1.268 . . . . 0.0 111.998 174.262 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 15.9 t -94.83 85.83 1.81 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 123.935 0.894 . . . . 0.0 111.562 -175.342 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.4 p -66.13 129.31 39.36 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.855 1.262 . . . . 0.0 112.978 175.468 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.2 mtm180 -135.12 159.71 40.68 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.38 1.072 . . . . 0.0 113.171 -175.242 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.418 HD12 ' CE1' ' A' ' 53' ' ' PHE . 51.2 mt -114.07 147.06 17.84 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 C-N-CA 127.138 2.175 . . . . 0.0 109.074 176.106 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -136.95 145.69 44.51 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.371 1.468 . . . . 0.0 111.94 -178.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 21.0 t -135.49 112.09 13.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 O-C-N 121.275 -0.891 . . . . 0.0 110.939 169.147 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -79.03 138.7 21.06 Favored Glycine 0 CA--C 1.528 0.847 0 C-N-CA 125.493 1.52 . . . . 0.0 114.185 176.354 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 10.9 m120 60.77 32.3 20.17 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 126.198 1.799 . . . . 0.0 113.926 178.3 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.7 tt -70.36 121.8 84.46 Favored Pre-proline 0 CA--C 1.548 0.896 0 C-N-CA 125.052 1.341 . . . . 0.0 111.245 177.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -74.07 173.05 14.74 Favored 'Trans proline' 0 CA--C 1.541 0.846 0 C-N-CA 123.215 2.61 . . . . 0.0 111.79 170.175 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.4 t -71.66 46.68 0.12 Allowed 'General case' 0 N--CA 1.482 1.17 0 CA-C-O 122.71 1.243 . . . . 0.0 114.01 176.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 38.1 t60 -71.09 -28.33 64.25 Favored 'General case' 0 CA--C 1.538 0.506 0 O-C-N 120.189 -1.569 . . . . 0.0 111.527 166.485 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 27.0 m -137.22 135.57 47.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 125.625 1.57 . . . . 0.0 110.652 177.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 95.5 p -89.81 171.49 9.58 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.163 0.985 . . . . 0.0 111.41 173.086 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 65.4 p -60.63 -23.39 64.72 Favored 'General case' 0 N--CA 1.477 0.925 0 O-C-N 120.871 -1.143 . . . . 0.0 113.821 176.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.85 -55.88 12.8 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.791 1.236 . . . . 0.0 111.527 162.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -71.92 -25.97 62.11 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 114.091 1.145 . . . . 0.0 114.091 -165.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 80.5 t -55.35 -31.45 27.19 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 123.825 0.85 . . . . 0.0 111.724 171.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 70.0 tt0 -65.86 -55.18 18.35 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 119.811 1.187 . . . . 0.0 112.457 176.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -61.66 -33.41 73.92 Favored 'General case' 0 N--CA 1.468 0.452 0 O-C-N 121.787 -0.571 . . . . 0.0 112.182 175.275 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -67.19 -49.54 64.25 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 177.07 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -82.74 -15.8 50.45 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 114.857 1.429 . . . . 0.0 114.857 -176.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 25.0 mtt-85 -56.82 -27.73 60.45 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 114.689 1.366 . . . . 0.0 114.689 172.442 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.54 -25.97 61.58 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-N 119.56 1.073 . . . . 0.0 113.301 173.359 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -70.29 -50.93 34.35 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.498 0.719 . . . . 0.0 109.338 -175.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 176.69 -154.32 16.05 Favored Glycine 0 CA--C 1.537 1.421 0 C-N-CA 125.375 1.464 . . . . 0.0 111.924 176.513 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -71.98 85.09 0.98 Allowed 'General case' 0 CA--C 1.547 0.861 0 CA-C-N 118.177 0.988 . . . . 0.0 112.141 174.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -69.79 136.48 26.08 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 C-N-CA 126.234 1.814 . . . . 0.0 110.268 162.304 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 62.2 mt -104.72 -44.82 4.76 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.036 1.334 . . . . 0.0 112.717 178.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -150.61 152.21 33.71 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 126.403 1.881 . . . . 0.0 110.672 -176.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 13.1 p -141.17 153.69 45.46 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.655 1.582 . . . . 0.0 111.149 177.215 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -164.21 173.22 12.63 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.082 0.953 . . . . 0.0 111.947 163.085 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 27.9 m -121.64 123.58 69.74 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 124.702 1.201 . . . . 0.0 112.149 174.231 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 78.0 mttt -91.37 163.76 14.08 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 125.725 1.61 . . . . 0.0 110.983 170.193 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.56 165.59 29.9 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 125.541 1.537 . . . . 0.0 109.877 159.462 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.2 p -128.11 -179.71 5.14 Favored 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 112.929 0.714 . . . . 0.0 112.929 -178.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 29.2 t -60.84 -14.74 10.22 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 124.555 1.142 . . . . 0.0 112.573 173.027 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.3 t -70.12 -11.85 61.19 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.008 1.323 . . . . 0.0 113.629 169.27 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 76.93 -20.24 3.06 Favored Glycine 0 CA--C 1.537 1.424 0 O-C-N 120.139 -1.601 . . . . 0.0 114.305 -173.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.98 136.86 58.21 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.776 1.231 . . . . 0.0 111.819 170.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -108.13 162.32 14.17 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.972 1.309 . . . . 0.0 111.855 174.236 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -148.0 128.47 14.03 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 125.431 1.492 . . . . 0.0 110.554 -164.173 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -91.86 141.36 28.73 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 118.595 0.634 . . . . 0.0 111.454 169.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -133.39 139.27 46.68 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 124.611 1.165 . . . . 0.0 110.591 169.425 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.5 mp -141.66 140.64 30.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 124.545 1.138 . . . . 0.0 110.499 -176.261 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -110.97 138.9 46.81 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 125.311 1.444 . . . . 0.0 112.954 -176.524 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.418 ' CE1' HD12 ' A' ' 10' ' ' ILE . 24.1 m-85 -142.62 137.82 30.29 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.062 1.345 . . . . 0.0 112.404 -169.214 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -81.15 -30.6 34.43 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 112.991 0.738 . . . . 0.0 112.991 167.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -108.73 70.7 0.75 Allowed 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.646 1.178 . . . . 0.0 113.07 -172.533 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -53.6 -51.1 64.1 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.585 1.154 . . . . 0.0 112.399 176.458 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.89 8.57 1.16 Allowed 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 115.852 1.797 . . . . 0.0 115.852 178.369 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -112.98 -54.05 2.66 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.868 1.667 . . . . 0.0 109.23 173.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.38 -17.43 64.53 Favored 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 114.784 1.402 . . . . 0.0 114.784 175.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.62 -47.02 77.25 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 114.009 1.115 . . . . 0.0 114.009 -177.601 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -62.65 -40.31 96.63 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 119.374 0.988 . . . . 0.0 112.067 179.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.8 -26.66 67.8 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.474 0.709 . . . . 0.0 112.572 176.406 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.6 mm -74.98 -46.91 38.9 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 123.856 0.862 . . . . 0.0 112.194 168.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . 0.349 0.0 OUTLIER -78.32 -6.47 55.17 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 115.488 1.662 . . . . 0.0 115.488 -175.887 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -73.68 -3.77 30.23 Favored 'General case' 0 CA--C 1.552 1.02 0 O-C-N 120.979 -1.076 . . . . 0.0 113.655 158.075 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -121.94 16.96 10.94 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 127.243 2.217 . . . . 0.0 113.206 177.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 38.4 p-10 -74.49 178.66 5.13 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-O 121.92 0.867 . . . . 0.0 113.071 -177.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 86.49 83.63 1.12 Allowed Glycine 0 CA--C 1.527 0.832 0 C-N-CA 124.263 0.935 . . . . 0.0 111.586 -176.501 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 23.1 p -67.72 166.44 15.21 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-O 122.62 1.2 . . . . 0.0 112.894 178.327 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -136.45 134.2 37.44 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 126.6 1.96 . . . . 0.0 111.014 -170.134 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 7.4 p90 -157.15 162.2 39.37 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.889 1.276 . . . . 0.0 111.967 -167.213 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 61.73 -15.07 0.05 OUTLIER 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 128.612 2.765 . . . . 0.0 118.058 177.082 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -148.48 -58.93 0.01 OUTLIER Glycine 0 CA--C 1.528 0.877 0 C-N-CA 125.163 1.364 . . . . 0.0 110.92 173.474 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 58.6 m-20 -72.35 162.96 28.76 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 123.031 0.532 . . . . 0.0 110.027 157.255 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.43 120.99 12.5 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.279 1.032 . . . . 0.0 111.306 170.664 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.9 mt -171.07 124.73 0.64 Allowed 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 126.255 1.822 . . . . 0.0 109.161 164.098 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 31.0 ttm180 -122.24 78.29 1.48 Allowed 'General case' 0 N--CA 1.48 1.035 0 O-C-N 121.54 -0.725 . . . . 0.0 111.008 173.325 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 82.5 t -64.53 125.24 20.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 163.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -154.4 152.21 29.92 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.584 1.154 . . . . 0.0 109.767 -176.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 7.2 p -129.33 84.07 63.38 Favored Pre-proline 0 CA--C 1.541 0.631 0 O-C-N 121.137 -0.977 . . . . 0.0 112.572 -157.488 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -71.17 59.79 2.4 Favored 'Trans proline' 0 CA--C 1.55 1.303 0 C-N-CA 124.586 3.524 . . . . 0.0 113.313 172.202 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 19.8 m-30 -84.73 -12.93 52.77 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.378 1.471 . . . . 0.0 112.887 162.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 14.4 m120 58.77 19.37 6.84 Favored 'General case' 0 CA--C 1.555 1.153 0 C-N-CA 125.776 1.631 . . . . 0.0 114.467 -176.284 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 52.02 163.95 0.01 OUTLIER 'General case' 0 CA--C 1.554 1.116 0 C-N-CA 126.304 1.842 . . . . 0.0 114.205 -163.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -142.11 111.7 6.65 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 120.28 -1.513 . . . . 0.0 110.974 -172.168 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 . . . . . 0 C--O 1.253 1.254 0 C-N-CA 126.956 2.102 . . . . 0.0 115.201 -174.521 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 101' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.241 2 O4'-C1'-N19 113.833 5.633 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 102' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.373 1 N19-C1'-C2' 121.294 4.934 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 103' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.448 0 O4'-C1'-N19 112.062 3.862 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.824 1 C3'-C2'-C1' 105.235 4.15 OUTLIER-EPSILON 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 105' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.379 2 P-O3'-C3' 125.356 4.713 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 106' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.727 0 O4'-C1'-N19 111.1 2.9 . 0.311 6g . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.386 0 N-CA-C 109.9 -1.28 . . . . 0.0 109.9 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 35.3 t -151.49 -55.6 0.14 Allowed 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.955 0.902 . . . . 0.0 110.962 164.221 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 38.4 t-80 -151.02 144.52 24.93 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 125.718 1.607 . . . . 0.0 111.069 178.403 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 42.2 mtt -105.22 144.64 31.74 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.789 1.236 . . . . 0.0 113.124 178.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 12.2 p -60.66 143.75 14.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 123.967 0.907 . . . . 0.0 111.074 166.499 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -70.39 111.17 4.0 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 123.502 0.721 . . . . 0.0 109.821 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 6.5 tpt180 -157.05 146.85 20.69 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.678 1.591 . . . . 0.0 110.778 179.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.434 ' HG2' ' H ' ' A' ' 6' ' ' SER . 16.8 tt0 58.48 -172.48 0.1 Allowed 'General case' 0 CA--C 1.556 1.195 0 C-N-CA 125.19 1.396 . . . . 0.0 112.928 -175.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.434 ' H ' ' HG2' ' A' ' 5' ' ' GLU . 84.9 p -83.86 -121.51 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.264 1.426 . . . . 0.0 110.798 170.432 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 3.2 t 52.78 49.3 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.209 0 C-N-CA 126.09 1.756 . . . . 0.0 111.596 179.523 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 37.7 m -63.61 134.16 54.98 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.188 0.995 . . . . 0.0 110.515 -177.639 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 39.0 ttp85 -148.96 130.93 15.26 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 119.285 0.948 . . . . 0.0 113.432 -175.077 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 84.1 mt -85.05 150.41 3.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 C-N-CA 125.899 1.679 . . . . 0.0 110.767 174.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -129.82 143.48 50.83 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 126.371 1.868 . . . . 0.0 111.075 173.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.2 p -142.66 128.51 17.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 124.486 1.115 . . . . 0.0 108.212 163.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -127.22 152.99 18.9 Favored Glycine 0 CA--C 1.525 0.719 0 C-N-CA 125.645 1.593 . . . . 0.0 111.947 -173.099 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 43.2 m-80 50.71 44.86 27.6 Favored 'General case' 0 CA--C 1.547 0.835 0 O-C-N 121.969 -0.724 . . . . 0.0 110.171 -162.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.6 pp -61.7 152.47 75.2 Favored Pre-proline 0 CA--C 1.55 0.951 0 C-N-CA 124.136 0.974 . . . . 0.0 113.176 -169.431 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -71.7 140.64 36.12 Favored 'Trans proline' 0 CA--C 1.538 0.683 0 C-N-CA 123.04 2.493 . . . . 0.0 111.753 -177.247 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 25.0 t 50.52 -125.63 2.25 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 124.517 1.127 . . . . 0.0 110.795 -174.458 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 62.0 t-80 -143.72 110.47 5.6 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.189 0.996 . . . . 0.0 110.239 159.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 25.4 m -82.73 133.21 29.6 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 123.709 0.803 . . . . 0.0 112.121 -174.402 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 60.3 m -77.59 144.37 37.56 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.477 0.711 . . . . 0.0 110.671 168.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 64.0 p -56.43 -40.84 75.41 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.974 0.91 . . . . 0.0 113.144 -177.328 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.4 tmm_? -59.83 -35.62 75.11 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.789 1.235 . . . . 0.0 112.829 176.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -68.83 -46.67 67.98 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.068 0.547 . . . . 0.0 111.081 -178.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -71.87 -34.81 52.5 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 122.586 0.354 . . . . 0.0 111.6 177.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -60.3 -48.5 81.48 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.878 0.871 . . . . 0.0 111.61 173.113 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -67.31 -29.57 69.19 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 113.057 0.762 . . . . 0.0 113.057 178.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.0 tp10 -68.82 -47.01 67.13 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.897 0.879 . . . . 0.0 112.252 171.004 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -78.39 -30.2 47.72 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 114.825 1.417 . . . . 0.0 114.825 -175.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.8 ppt_? -61.9 -16.83 53.83 Favored 'General case' 0 N--CA 1.483 1.196 0 N-CA-C 115.876 1.806 . . . . 0.0 115.876 -172.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.97 -9.43 58.63 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 114.324 1.231 . . . . 0.0 114.324 170.701 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -102.89 0.32 32.3 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.788 1.635 . . . . 0.0 113.756 176.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 142.89 179.06 19.32 Favored Glycine 0 CA--C 1.529 0.921 0 C-N-CA 125.013 1.292 . . . . 0.0 113.253 178.385 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -73.59 110.93 8.27 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 122.015 -0.697 . . . . 0.0 111.994 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -82.08 135.56 24.7 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 125.775 1.63 . . . . 0.0 109.364 163.547 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.4 mp -102.47 -32.78 9.79 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.179 1.392 . . . . 0.0 112.989 -179.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 52.3 tptt -153.08 135.71 15.23 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 126.001 1.72 . . . . 0.0 110.018 -177.256 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 50.6 t -140.27 127.28 20.82 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.871 1.268 . . . . 0.0 109.026 175.397 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -159.92 162.11 34.42 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-O 121.573 0.702 . . . . 0.0 112.881 177.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.1 p -123.63 139.51 49.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 125.718 1.607 . . . . 0.0 111.53 -174.498 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.575 ' HE3' ' CG ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -132.1 167.22 20.12 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 126.732 2.013 . . . . 0.0 110.624 -174.713 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.38 153.97 42.5 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 124.34 1.056 . . . . 0.0 113.45 178.089 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.6 t -101.07 158.59 15.9 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 125.219 1.408 . . . . 0.0 111.562 173.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 34.7 m -61.57 -19.33 20.64 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 C-N-CA 124.756 1.222 . . . . 0.0 113.245 171.566 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 12.9 t -71.03 -11.79 61.16 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 124.56 1.144 . . . . 0.0 113.51 170.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 97.58 -9.86 64.6 Favored Glycine 0 CA--C 1.538 1.487 0 C-N-CA 125.76 1.648 . . . . 0.0 115.629 174.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.75 153.9 41.68 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 118.787 1.293 . . . . 0.0 112.316 172.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -127.91 152.01 48.38 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.085 1.354 . . . . 0.0 112.141 178.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -140.53 130.82 25.09 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 125.196 1.398 . . . . 0.0 111.396 -170.239 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -111.12 135.26 51.91 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.784 0.834 . . . . 0.0 111.436 175.484 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.575 ' CG ' ' HE3' ' A' ' 40' ' ' LYS . 5.1 m-85 -124.79 128.02 48.09 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 126.297 1.839 . . . . 0.0 109.257 -171.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.7 mp -134.99 108.45 9.98 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 123.964 0.906 . . . . 0.0 110.106 -171.137 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -97.4 140.08 32.38 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.661 1.584 . . . . 0.0 112.286 -173.148 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -143.01 149.03 37.74 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.39 1.476 . . . . 0.0 113.171 -152.692 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 26.9 tp10 -71.52 -29.59 64.95 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 124.306 1.042 . . . . 0.0 113.653 175.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -142.54 122.35 13.5 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 125.483 1.513 . . . . 0.0 112.655 -179.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.16 -56.34 21.84 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.581 1.152 . . . . 0.0 112.423 172.457 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.6 ' H ' ' HD3' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -62.32 -30.16 70.96 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 114.71 1.374 . . . . 0.0 114.71 -174.64 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -75.75 -42.08 51.48 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 122.905 0.482 . . . . 0.0 110.833 178.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.86 -22.98 60.69 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.405 1.082 . . . . 0.0 113.741 173.412 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.25 -27.6 68.57 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 120.973 -1.079 . . . . 0.0 113.3 179.118 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -64.48 -27.82 69.24 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 173.208 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -75.62 -51.31 13.12 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 123.003 0.521 . . . . 0.0 110.726 166.068 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -59.11 -39.03 77.56 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.591 0 C-N-CA 123.266 0.627 . . . . 0.0 112.261 -171.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.54 -19.3 63.7 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 114.207 1.188 . . . . 0.0 114.207 176.457 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.93 -27.19 23.49 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.453 1.101 . . . . 0.0 112.139 172.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 67.4 mmtt -79.9 -28.23 39.87 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 124.331 1.052 . . . . 0.0 113.182 170.425 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -54.57 150.01 9.87 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.39 1.476 . . . . 0.0 114.078 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 128.25 66.94 0.13 Allowed Glycine 0 CA--C 1.531 1.059 0 C-N-CA 125.724 1.631 . . . . 0.0 110.554 -172.149 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 26.3 p -63.25 146.38 53.55 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.072 0.949 . . . . 0.0 113.208 -173.597 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -148.37 137.24 21.7 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.186 1.394 . . . . 0.0 111.364 -166.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 4.0 p90 -161.58 174.36 13.47 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 126.489 1.916 . . . . 0.0 111.371 -162.2 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 56.58 42.98 26.4 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 125.21 1.404 . . . . 0.0 114.226 174.262 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 142.33 -26.47 2.29 Favored Glycine 0 CA--C 1.533 1.176 0 C-N-CA 125.933 1.73 . . . . 0.0 112.899 -179.311 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 51.2 m-20 -119.6 162.35 19.09 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 126.495 1.918 . . . . 0.0 110.336 170.39 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.53 100.29 6.4 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.412 1.485 . . . . 0.0 109.403 177.55 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -167.8 85.1 0.21 Allowed 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 124.767 1.227 . . . . 0.0 111.317 172.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -94.25 125.5 38.93 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 120.075 -1.641 . . . . 0.0 110.706 169.292 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 6.7 t -121.1 130.24 74.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 124.707 1.203 . . . . 0.0 109.24 179.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -161.05 153.45 20.38 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.458 1.103 . . . . 0.0 110.448 -163.193 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -148.01 135.26 10.46 Favored Pre-proline 0 N--CA 1.477 0.897 0 C-N-CA 124.482 1.113 . . . . 0.0 111.735 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -71.53 -29.69 16.04 Favored 'Trans proline' 0 CA--C 1.542 0.892 0 C-N-CA 122.888 2.392 . . . . 0.0 112.478 175.44 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 17.4 p90 -81.38 15.66 1.94 Allowed 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 114.954 1.464 . . . . 0.0 114.954 -177.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -72.29 46.65 0.15 Allowed 'General case' 0 CA--C 1.555 1.154 0 C-N-CA 126.407 1.883 . . . . 0.0 115.596 -170.323 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -138.91 8.0 2.51 Favored 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 127.527 2.331 . . . . 0.0 112.572 171.58 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 8.3 tpt85 -80.56 4.97 16.69 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 126.011 1.724 . . . . 0.0 114.856 -173.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 36.1 tp10 . . . . . 0 C--O 1.251 1.165 0 C-N-CA 127.067 2.147 . . . . 0.0 112.217 -176.9 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 101' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.17 0 O4'-C1'-N19 111.909 3.709 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 102' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.549 2.25 1 O4'-C1'-N19 113.249 5.049 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 103' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.82 0 P-O3'-C3' 124.093 3.661 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 104' ' ' ' U' . . . . . 0.447 " O4'" ' HE2' ' A' ' 40' ' ' LYS . . . . . . . . 0 O4'--C4' 1.423 -2.494 0 C3'-C2'-C1' 104.789 3.655 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 105' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.797 0 C5'-C4'-C3' 112.176 -2.216 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 106' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.94 0 C5'-C4'-C3' 111.426 -2.716 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.588 0 N-CA-C 110.649 -0.98 . . . . 0.0 110.649 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 50.1 m -139.98 101.37 4.15 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.976 1.311 . . . . 0.0 110.506 -175.33 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 72.5 m80 -144.22 153.62 42.26 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.077 1.351 . . . . 0.0 112.174 -173.003 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.7 mtt -72.14 157.65 37.36 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.176 0.99 . . . . 0.0 111.785 171.281 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.5 p -146.64 141.37 20.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 124.735 1.214 . . . . 0.0 111.384 176.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 33.5 mm -139.55 148.53 23.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 126.931 2.092 . . . . 0.0 109.369 -174.222 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? 59.64 58.61 2.82 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 125.788 1.635 . . . . 0.0 112.03 -179.46 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 62.06 177.58 0.13 Allowed 'General case' 0 CA--C 1.555 1.143 0 C-N-CA 126.641 1.976 . . . . 0.0 114.243 178.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.6 p -150.47 162.47 40.52 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.288 1.435 . . . . 0.0 112.011 -177.439 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 8.4 p -150.43 143.9 17.23 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 125.058 1.343 . . . . 0.0 110.953 175.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 34.1 t -75.35 129.95 38.22 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 124.089 0.955 . . . . 0.0 111.935 177.223 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.8 138.83 29.0 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 113.373 0.879 . . . . 0.0 113.373 161.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 23.5 mt -74.06 150.92 7.33 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 125.185 1.394 . . . . 0.0 109.907 171.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 37.8 t80 -131.09 142.43 50.27 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.655 1.582 . . . . 0.0 111.823 173.432 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.3 p -148.83 136.56 14.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 125.889 1.675 . . . . 0.0 109.025 167.557 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -133.92 150.88 20.06 Favored Glycine 0 CA--C 1.527 0.828 0 C-N-CA 125.497 1.522 . . . . 0.0 113.414 -172.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 54.9 36.31 26.4 Favored 'General case' 0 CA--C 1.551 0.993 0 O-C-N 122.152 -0.616 . . . . 0.0 110.906 -163.158 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.6 pp -62.11 149.75 85.72 Favored Pre-proline 0 CA--C 1.55 0.959 0 C-N-CA 124.341 1.056 . . . . 0.0 112.549 -166.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -65.9 125.0 13.46 Favored 'Trans proline' 0 CA--C 1.538 0.679 0 C-N-CA 123.226 2.617 . . . . 0.0 112.077 -172.044 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.0 t 53.59 -120.18 1.63 Allowed 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.836 1.254 . . . . 0.0 111.64 -171.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 17.7 t-80 -148.84 166.37 28.7 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.861 1.664 . . . . 0.0 110.549 169.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.5 p -148.36 137.02 15.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 124.176 0.99 . . . . 0.0 112.072 -173.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 58.0 m -84.42 154.95 22.49 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.374 1.07 . . . . 0.0 112.391 178.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 61.5 p -55.71 -40.07 71.91 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.226 1.01 . . . . 0.0 112.496 174.252 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.96 -38.89 70.97 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.981 1.712 . . . . 0.0 112.999 172.777 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -73.23 -48.78 32.13 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 123.377 0.671 . . . . 0.0 111.959 179.292 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 11.2 m -67.94 -32.99 58.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 CA-C-N 118.717 0.689 . . . . 0.0 112.661 178.54 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 57.6 tt0 -58.79 -49.58 77.16 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 119.476 1.034 . . . . 0.0 111.445 170.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -69.13 -35.34 76.29 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 112.961 0.726 . . . . 0.0 112.961 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.9 tp10 -72.06 -53.21 13.56 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.392 1.077 . . . . 0.0 112.882 -179.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 50.4 m-85 -80.62 -19.06 46.25 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 114.66 1.356 . . . . 0.0 114.66 -170.546 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -55.41 -25.82 38.09 Favored 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 115.365 1.617 . . . . 0.0 115.365 -175.775 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.69 -28.54 58.69 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.101 0.961 . . . . 0.0 112.69 178.111 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -83.31 -18.04 40.4 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.252 1.421 . . . . 0.0 113.203 176.451 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 171.0 152.88 8.48 Favored Glycine 0 CA--C 1.529 0.945 0 C-N-CA 125.016 1.293 . . . . 0.0 111.281 173.658 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 54.9 t30 -66.83 115.15 6.28 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 117.669 0.734 . . . . 0.0 110.772 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -78.38 136.15 24.58 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.499 0 C-N-CA 125.58 1.552 . . . . 0.0 111.318 -177.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.9 mp -96.73 -42.03 8.2 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.245 1.018 . . . . 0.0 112.976 175.44 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.421 ' HE3' " H2'" ' B' ' 104' ' ' ' U' . 59.5 tttp -156.41 142.61 18.21 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 126.07 1.748 . . . . 0.0 110.308 179.685 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.3 p -152.38 127.28 9.62 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.75 0.82 . . . . 0.0 111.723 178.428 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -156.18 166.48 33.31 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.732 1.613 . . . . 0.0 111.043 -174.05 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 28.1 t -127.54 126.71 67.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 124.62 1.168 . . . . 0.0 111.242 -174.699 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.65 170.4 8.39 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 126.146 1.778 . . . . 0.0 111.018 176.043 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.86 151.8 39.29 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.498 1.119 . . . . 0.0 112.824 168.443 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 12.8 t -97.32 162.52 13.3 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.786 1.234 . . . . 0.0 112.143 175.569 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 34.3 m -61.89 -23.81 32.45 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 124.961 1.305 . . . . 0.0 113.105 175.008 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 18.5 m -74.71 -1.84 23.68 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.07 1.348 . . . . 0.0 114.025 171.365 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 93.41 -9.05 74.75 Favored Glycine 0 CA--C 1.536 1.387 0 C-N-CA 125.684 1.611 . . . . 0.0 116.373 171.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.83 142.8 48.02 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 119.244 1.522 . . . . 0.0 112.5 176.194 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -103.42 151.81 22.35 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.199 1.4 . . . . 0.0 112.037 174.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -140.32 116.62 10.63 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.983 1.313 . . . . 0.0 111.706 -175.319 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -94.76 141.03 29.1 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 123.244 0.618 . . . . 0.0 111.905 176.415 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 43.2 m-85 -131.69 133.39 44.81 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 125.464 1.506 . . . . 0.0 109.805 177.68 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.6 mp -138.41 117.57 14.2 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 125.043 1.337 . . . . 0.0 109.254 -173.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -96.81 136.99 36.58 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.548 1.539 . . . . 0.0 113.584 -172.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -131.13 157.11 44.01 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.749 1.62 . . . . 0.0 114.358 -170.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -89.78 -9.12 50.43 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 115.182 1.549 . . . . 0.0 115.182 174.566 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -145.17 121.62 11.0 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.85 1.26 . . . . 0.0 112.204 172.122 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.48 -54.67 21.35 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.898 1.279 . . . . 0.0 113.078 -178.035 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.02 -15.26 63.43 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 114.826 1.417 . . . . 0.0 114.826 -176.242 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -80.17 -49.53 11.54 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 123.599 0.76 . . . . 0.0 110.779 169.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.25 -27.09 68.76 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.294 1.038 . . . . 0.0 113.413 175.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -54.91 -29.93 57.21 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.603 1.161 . . . . 0.0 113.619 176.079 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -65.46 -21.78 66.68 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 177.211 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -78.87 -51.0 10.31 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 119.206 0.912 . . . . 0.0 111.456 168.028 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -64.94 -33.98 67.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 123.303 0.641 . . . . 0.0 112.106 -172.601 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.79 -22.79 62.33 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 173.158 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -82.44 -28.92 31.02 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.229 1.411 . . . . 0.0 111.659 171.626 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 9.7 mmpt? -76.58 -5.69 48.79 Favored 'General case' 0 N--CA 1.482 1.174 0 N-CA-C 114.055 1.131 . . . . 0.0 114.055 169.421 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -63.93 169.32 4.34 Favored 'General case' 0 CA--C 1.551 0.984 0 N-CA-C 116.095 1.887 . . . . 0.0 116.095 -164.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 87.36 83.23 1.19 Allowed Glycine 0 CA--C 1.53 1.026 0 C-N-CA 124.964 1.269 . . . . 0.0 111.769 -176.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 25.1 p -65.39 152.2 44.45 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 123.866 0.866 . . . . 0.0 112.508 176.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -140.05 131.99 27.71 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.099 1.36 . . . . 0.0 111.741 -167.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 5.0 p90 -157.82 176.46 12.54 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 126.243 1.817 . . . . 0.0 111.882 -165.291 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 75.3 mt-10 57.72 23.09 9.11 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 126.242 1.817 . . . . 0.0 115.299 175.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 157.54 -46.02 0.48 Allowed Glycine 0 CA--C 1.528 0.895 0 C-N-CA 125.777 1.656 . . . . 0.0 111.361 177.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -81.65 159.32 24.02 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.243 1.017 . . . . 0.0 110.819 163.371 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.14 100.39 4.85 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.705 1.602 . . . . 0.0 109.672 174.789 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -165.15 85.66 0.4 Allowed 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.62 1.168 . . . . 0.0 109.79 175.768 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 23.7 ttm180 -89.37 129.33 35.91 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 120.579 -1.325 . . . . 0.0 110.81 177.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.0 m -134.71 132.14 54.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 125.466 1.506 . . . . 0.0 109.898 176.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -159.41 154.07 24.39 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.28 1.432 . . . . 0.0 109.542 179.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 14.9 p -125.41 126.96 25.04 Favored Pre-proline 0 CA--C 1.543 0.711 0 C-N-CA 123.951 0.9 . . . . 0.0 111.146 -178.228 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -78.2 -30.71 3.27 Favored 'Trans proline' 0 C--N 1.354 0.853 0 C-N-CA 122.88 2.387 . . . . 0.0 112.795 178.295 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 41.3 p90 -82.61 178.35 8.25 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.004 1.322 . . . . 0.0 112.229 170.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -149.02 -165.87 2.4 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 124.65 1.18 . . . . 0.0 110.647 175.393 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.58 148.59 23.61 Favored 'General case' 0 CA--C 1.549 0.924 0 O-C-N 121.395 -0.816 . . . . 0.0 111.353 168.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -136.27 134.59 38.18 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.654 1.182 . . . . 0.0 111.337 -170.008 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 . . . . . 0 C--O 1.252 1.21 0 C-N-CA 127.84 2.456 . . . . 0.0 111.547 -179.833 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 101' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.185 1 O4'-C1'-N19 113.389 5.189 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 102' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.547 2.113 1 O4'-C1'-N19 114.226 6.026 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 103' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.154 0 O3'-P-O5' 97.427 -3.46 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 104' ' ' ' U' . . . . . 0.421 " H2'" ' HE3' ' A' ' 36' ' ' LYS . . . . . . . . 0 O4'--C4' 1.43 -1.938 1 O4'-C1'-N19 114.602 6.402 . 0.014 4n . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 105' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.415 0 C4'-C3'-C2' 99.694 -3.006 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 106' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.663 0 P-O3'-C3' 123.109 2.841 . 0.032 5q . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.603 0 N-CA-C 111.973 -0.451 . . . . 0.0 111.973 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 18.0 m 57.94 27.22 14.4 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 125.734 1.613 . . . . 0.0 115.211 177.28 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -74.58 140.66 44.54 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.277 1.031 . . . . 0.0 111.951 -178.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.9 mtp 50.17 59.63 4.41 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 125.533 1.533 . . . . 0.0 113.86 173.283 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 35.9 m -57.68 147.24 6.38 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 C-N-CA 124.629 1.172 . . . . 0.0 113.249 -178.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 36.7 pt -114.68 -4.41 11.29 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.21 0 N-CA-C 114.615 1.339 . . . . 0.0 114.615 -175.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.32 8.76 4.69 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 125.568 1.547 . . . . 0.0 114.566 -178.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -143.34 31.33 1.36 Allowed 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 125.765 1.626 . . . . 0.0 111.09 178.588 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.3 m -63.8 136.3 57.31 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.526 1.531 . . . . 0.0 112.48 -174.66 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 82.8 t -106.5 117.12 51.68 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 124.493 1.117 . . . . 0.0 110.032 176.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 27.2 p -78.16 131.35 37.16 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.365 1.066 . . . . 0.0 110.734 169.109 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.72 150.44 32.1 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.42 1.088 . . . . 0.0 112.476 176.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.9 mp -69.47 151.82 9.66 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 124.056 0.942 . . . . 0.0 110.147 172.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 13.6 t80 -127.15 125.69 41.6 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.434 1.094 . . . . 0.0 110.642 159.578 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.3 m -134.76 136.83 51.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 125.377 1.471 . . . . 0.0 108.738 167.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -153.94 164.48 31.32 Favored Glycine 0 CA--C 1.53 1.028 0 N-CA-C 115.885 1.114 . . . . 0.0 115.885 -165.732 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 56.9 t30 54.53 34.67 21.67 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 126.007 1.723 . . . . 0.0 113.052 -177.317 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.6 mp -72.2 148.46 91.29 Favored Pre-proline 0 CA--C 1.546 0.81 0 C-N-CA 125.121 1.369 . . . . 0.0 112.333 -172.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -65.78 135.43 41.49 Favored 'Trans proline' 0 CA--C 1.538 0.72 0 C-N-CA 122.508 2.139 . . . . 0.0 110.587 167.011 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.4 t 62.7 -32.1 0.1 Allowed 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 127.765 2.426 . . . . 0.0 116.716 -175.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . 0.292 0.0 OUTLIER 65.97 148.34 0.04 OUTLIER 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 128.749 2.82 . . . . 0.0 114.978 -173.109 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.7 m -94.82 132.26 39.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 125.257 1.423 . . . . 0.0 112.398 -176.653 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 87.4 p -69.23 168.72 13.55 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.544 1.138 . . . . 0.0 111.791 170.359 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 68.8 p -57.94 -35.99 71.88 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 120.827 -1.171 . . . . 0.0 112.617 173.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.1 tmm_? -66.19 -45.93 79.11 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.494 1.118 . . . . 0.0 112.074 172.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -66.86 -36.51 82.48 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 112.849 0.685 . . . . 0.0 112.849 177.419 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.3 t -59.92 -52.12 64.87 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 123.692 0.797 . . . . 0.0 110.523 171.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 69.3 tt0 -59.31 -47.73 84.28 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 119.394 0.997 . . . . 0.0 111.825 177.625 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -64.93 -39.48 93.57 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 -176.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.4 tp10 -74.05 -50.68 18.6 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 123.557 0.743 . . . . 0.0 112.149 177.604 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -75.2 -12.9 60.39 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 114.181 1.178 . . . . 0.0 114.181 -174.007 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 26.2 mtt-85 -54.79 -27.69 43.54 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 114.756 1.391 . . . . 0.0 114.756 171.037 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.65 -23.57 42.44 Favored 'General case' 0 N--CA 1.483 1.206 0 CA-C-N 119.502 1.046 . . . . 0.0 113.478 174.444 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -78.21 -36.92 46.59 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.996 1.318 . . . . 0.0 110.982 177.384 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -179.89 178.97 48.81 Favored Glycine 0 CA--C 1.536 1.39 0 C-N-CA 124.29 0.947 . . . . 0.0 113.786 178.006 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -77.14 92.73 3.82 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.707 0.803 . . . . 0.0 110.527 174.245 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -59.72 124.27 13.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 124.171 0.989 . . . . 0.0 110.78 178.627 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 39.6 mt -99.32 -33.58 10.66 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.739 0.816 . . . . 0.0 112.427 176.279 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.87 144.18 21.19 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 126.091 1.756 . . . . 0.0 110.089 175.376 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.2 p -150.69 152.77 34.43 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.577 0.751 . . . . 0.0 112.434 174.339 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -157.82 172.3 18.73 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.379 1.071 . . . . 0.0 112.638 -178.679 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.7 p -130.34 140.77 48.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 125.493 1.517 . . . . 0.0 111.524 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 60.9 mmtt -134.34 169.51 17.11 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 126.767 2.027 . . . . 0.0 110.348 -178.239 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.5 152.37 34.11 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.422 1.089 . . . . 0.0 113.553 179.724 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.5 t -95.15 155.83 16.57 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 125.072 1.349 . . . . 0.0 111.82 171.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 35.3 m -61.38 -18.02 17.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 124.777 1.231 . . . . 0.0 113.166 168.675 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.5 t -70.02 -13.17 62.1 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 124.493 1.117 . . . . 0.0 113.355 170.325 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 103.5 -12.43 54.32 Favored Glycine 0 CA--C 1.535 1.322 0 C-N-CA 125.946 1.736 . . . . 0.0 115.731 171.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.46 145.64 47.44 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 119.095 1.447 . . . . 0.0 112.216 173.622 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -117.58 156.45 28.08 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.528 1.531 . . . . 0.0 111.401 174.179 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -151.13 140.52 21.44 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 124.107 0.963 . . . . 0.0 112.858 -173.178 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -105.26 147.73 27.75 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.193 1.397 . . . . 0.0 112.313 178.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -134.67 137.56 43.69 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 125.725 1.61 . . . . 0.0 110.796 -177.44 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.7 mp -141.04 127.03 19.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 124.631 1.172 . . . . 0.0 110.874 -169.06 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -95.48 131.68 41.39 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 126.35 1.86 . . . . 0.0 111.579 178.37 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -128.39 152.88 47.68 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.188 1.395 . . . . 0.0 113.347 176.565 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 -72.58 -22.1 61.04 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 114.606 1.335 . . . . 0.0 114.606 177.151 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -137.47 112.9 9.34 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.454 1.502 . . . . 0.0 111.989 -177.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.8 -51.24 65.69 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.358 1.063 . . . . 0.0 112.499 179.081 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.63 -20.65 66.39 Favored 'General case' 0 N--CA 1.48 1.048 0 N-CA-C 115.032 1.493 . . . . 0.0 115.032 -177.03 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -74.34 -51.04 16.3 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.278 0.631 . . . . 0.0 110.997 172.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.58 -28.48 66.0 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.4 -38.96 72.23 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.848 0.859 . . . . 0.0 113.252 -177.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -69.41 -30.48 68.45 Favored 'General case' 0 CA--C 1.546 0.811 0 O-C-N 121.312 -0.868 . . . . 0.0 113.162 178.481 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -82.98 -28.49 29.7 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.456 1.102 . . . . 0.0 113.283 176.029 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -80.96 -37.23 15.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 O-C-N 121.267 -0.896 . . . . 0.0 111.672 177.368 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.96 -24.85 66.1 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 114.279 1.214 . . . . 0.0 114.279 -176.134 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -68.2 -11.19 58.85 Favored 'General case' 0 N--CA 1.477 0.886 0 O-C-N 121.11 -0.994 . . . . 0.0 113.285 172.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 68.3 mmtt -99.06 5.68 46.92 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 126.19 1.796 . . . . 0.0 113.383 175.006 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 20.6 p-10 -68.91 174.62 4.27 Favored 'General case' 0 CA--C 1.551 1.018 0 N-CA-C 114.349 1.24 . . . . 0.0 114.349 -176.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 78.2 85.62 0.5 Allowed Glycine 0 CA--C 1.53 0.987 0 C-N-CA 124.786 1.184 . . . . 0.0 111.732 -176.107 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 23.5 p -65.87 133.51 51.07 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-O 121.932 0.872 . . . . 0.0 112.547 -176.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -96.99 137.6 35.82 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.865 1.666 . . . . 0.0 112.055 177.026 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 43.4 p90 -150.91 170.54 19.06 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 126.849 2.06 . . . . 0.0 110.27 178.283 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 46.4 tt0 56.87 75.57 0.35 Allowed 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 125.634 1.574 . . . . 0.0 113.077 -178.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 103.15 -69.74 0.3 Allowed Glycine 0 N--CA 1.47 0.943 0 C-N-CA 125.565 1.555 . . . . 0.0 111.87 -176.295 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -72.49 154.18 40.97 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 117.428 0.614 . . . . 0.0 111.047 167.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 8.7 ptpt -151.89 98.94 2.52 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.191 0.996 . . . . 0.0 112.932 -175.631 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.7 mp -154.27 113.33 3.69 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 126.951 2.1 . . . . 0.0 108.043 171.203 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 22.5 ttm-85 -112.43 134.81 53.76 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 119.259 0.936 . . . . 0.0 111.08 176.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 89.4 t -144.4 131.35 16.35 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 125.618 1.567 . . . . 0.0 109.26 -174.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -154.49 141.47 19.26 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.565 1.146 . . . . 0.0 109.799 172.12 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 7.4 p -113.89 119.69 40.49 Favored Pre-proline 0 CA--C 1.542 0.637 0 C-N-CA 123.891 0.876 . . . . 0.0 110.645 179.527 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -73.17 -25.4 15.94 Favored 'Trans proline' 0 CA--C 1.54 0.8 0 C-N-CA 122.574 2.182 . . . . 0.0 112.903 178.123 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 47.9 p90 -85.56 28.03 0.79 Allowed 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.07 1.348 . . . . 0.0 113.586 173.429 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -53.09 -22.21 5.82 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.902 1.281 . . . . 0.0 114.11 178.078 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -132.96 152.72 51.89 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.277 1.431 . . . . 0.0 110.047 155.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 41.2 ttp180 -65.44 -33.31 75.65 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.213 1.005 . . . . 0.0 112.817 -178.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 . . . . . 0 C--O 1.254 1.3 0 C-N-CA 126.782 2.033 . . . . 0.0 112.096 -175.422 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 101' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.267 1 O4'-C1'-N19 113.224 5.024 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 102' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.258 0 O4'-C1'-N19 111.911 3.711 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 103' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.541 1 C5'-C4'-C3' 109.184 -4.21 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.311 5 O4'-C1'-N19 119.116 10.916 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 105' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.442 0 O4'-C1'-N19 111.772 3.572 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 106' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.08 0 C5'-C4'-C3' 111.16 -2.894 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.491 0 N-CA-C 111.349 -0.7 . . . . 0.0 111.349 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 93.4 p -156.46 161.75 40.04 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.559 1.544 . . . . 0.0 111.384 178.173 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 79.3 m80 -133.8 51.75 2.11 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.643 1.177 . . . . 0.0 113.267 -167.12 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.9 mtm -123.23 -14.82 7.4 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 115.048 1.499 . . . . 0.0 115.048 179.164 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 35.0 m -83.21 -29.46 8.0 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.151 0 CA-C-N 119.741 1.155 . . . . 0.0 113.794 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . 0.25 9.7 mt 57.21 45.86 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.554 1.1 0 C-N-CA 126.092 1.757 . . . . 0.0 112.62 175.414 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -141.41 81.0 1.76 Allowed 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 126.449 1.9 . . . . 0.0 109.518 169.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -156.74 166.23 33.99 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.749 1.22 . . . . 0.0 112.875 -176.21 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 p -59.0 162.36 4.3 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 127.034 2.134 . . . . 0.0 112.854 167.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.586 HG13 ' H ' ' A' ' 8' ' ' SER 0.356 11.7 p -102.8 -101.84 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 O-C-N 121.04 -1.037 . . . . 0.0 113.586 -166.731 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.586 ' H ' HG13 ' A' ' 7' ' ' VAL . 33.5 t -81.49 104.51 11.97 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.848 1.259 . . . . 0.0 110.964 -172.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 78.7 mtm180 -123.53 135.27 53.93 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.298 1.439 . . . . 0.0 113.78 -167.558 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.619 HD11 ' CE2' ' A' ' 53' ' ' PHE . 34.6 mt -80.45 148.45 5.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 C-N-CA 125.419 1.487 . . . . 0.0 110.224 168.341 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -123.25 133.69 54.17 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.166 0.986 . . . . 0.0 111.021 158.467 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.7 t -128.86 139.31 52.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 126.313 1.845 . . . . 0.0 107.16 170.011 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -147.04 159.2 27.96 Favored Glycine 0 CA--C 1.526 0.77 0 CA-C-N 119.478 1.036 . . . . 0.0 115.456 -171.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 10.9 m120 55.19 20.5 3.44 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 125.572 1.549 . . . . 0.0 113.248 -172.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.2 pp -67.75 148.91 98.47 Favored Pre-proline 0 CA--C 1.547 0.86 0 C-N-CA 125.471 1.508 . . . . 0.0 112.619 -168.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -68.11 132.8 27.04 Favored 'Trans proline' 0 CA--C 1.538 0.714 0 C-N-CA 123.189 2.593 . . . . 0.0 111.989 -178.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.7 t 55.99 -159.02 0.22 Allowed 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 125.113 1.365 . . . . 0.0 112.815 -173.647 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 23.6 t60 -127.48 87.99 2.72 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.525 1.53 . . . . 0.0 110.067 178.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.4 m -63.96 144.66 14.45 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 124.633 1.173 . . . . 0.0 113.403 -170.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.9 m -83.24 140.49 32.49 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.268 1.027 . . . . 0.0 112.353 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 30.3 t -50.03 -52.86 30.9 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.423 1.489 . . . . 0.0 113.842 -173.541 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.49 -18.65 65.48 Favored 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 114.833 1.42 . . . . 0.0 114.833 -178.815 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -77.47 -46.08 23.64 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 118.503 0.592 . . . . 0.0 110.524 176.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -75.03 -28.71 21.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 123.173 0.589 . . . . 0.0 111.943 177.799 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.76 -42.75 75.9 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 121.203 -0.935 . . . . 0.0 111.58 170.208 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 47.7 m-80 -72.5 -14.55 61.69 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 114.521 1.304 . . . . 0.0 114.521 177.209 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.6 tp10 -81.71 -46.51 14.18 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 119.261 0.937 . . . . 0.0 111.301 165.547 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -77.99 -28.1 49.21 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 115.277 1.584 . . . . 0.0 115.277 -173.608 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -55.59 -24.21 31.57 Favored 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 115.584 1.698 . . . . 0.0 115.584 -174.193 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.07 -9.95 59.01 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 114.903 1.446 . . . . 0.0 114.903 176.127 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 74.1 m-85 -103.89 6.65 36.56 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 125.225 1.41 . . . . 0.0 113.097 175.609 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 135.21 169.95 12.01 Favored Glycine 0 CA--C 1.532 1.133 0 C-N-CA 125.849 1.69 . . . . 0.0 112.646 -178.177 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -66.61 130.75 44.21 Favored 'General case' 0 CA--C 1.538 0.503 0 O-C-N 121.594 -0.945 . . . . 0.0 110.83 174.09 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -88.96 136.23 23.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.413 0 C-N-CA 125.291 1.436 . . . . 0.0 109.707 167.585 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -99.36 -34.01 10.47 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.784 0.834 . . . . 0.0 112.934 -178.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.9 tmtm? -157.35 138.18 13.28 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 126.474 1.91 . . . . 0.0 108.997 -174.427 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 44.2 t -147.8 118.85 7.69 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.394 1.077 . . . . 0.0 110.32 -178.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -151.72 157.93 42.7 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 124.972 1.309 . . . . 0.0 112.111 179.464 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 15.5 t -129.36 127.92 65.74 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 124.308 1.043 . . . . 0.0 110.387 -171.523 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.483 ' HE3' ' CD1' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -113.51 174.5 5.89 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 127.011 2.124 . . . . 0.0 111.042 -174.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.7 152.43 36.63 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.064 0.946 . . . . 0.0 113.465 173.456 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.5 t -91.47 158.09 16.68 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.797 1.239 . . . . 0.0 111.591 170.219 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 34.9 m -61.1 -19.42 19.99 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 124.909 1.283 . . . . 0.0 113.155 169.564 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 12.2 t -71.1 -11.69 61.09 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 124.612 1.165 . . . . 0.0 113.389 170.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 100.6 -10.68 59.33 Favored Glycine 0 CA--C 1.538 1.522 0 C-N-CA 125.89 1.71 . . . . 0.0 115.87 172.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.26 138.08 47.21 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 119.038 1.419 . . . . 0.0 112.234 174.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -97.88 152.27 19.38 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.817 1.247 . . . . 0.0 111.998 172.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -139.84 124.3 18.09 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 124.938 1.295 . . . . 0.0 112.097 -177.609 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -97.66 136.7 37.65 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.624 0.77 . . . . 0.0 111.56 176.442 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.483 ' CD1' ' HE3' ' A' ' 40' ' ' LYS . 43.0 m-85 -131.98 129.33 40.01 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.181 1.393 . . . . 0.0 110.788 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.5 mp -141.68 128.04 19.5 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 C-N-CA 124.61 1.164 . . . . 0.0 110.311 -168.075 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -86.49 132.47 33.92 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 119.023 0.829 . . . . 0.0 112.656 170.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.619 ' CE2' HD11 ' A' ' 10' ' ' ILE . 1.9 m-85 -111.72 154.17 25.38 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 126.109 1.764 . . . . 0.0 112.586 172.807 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -76.71 -21.23 55.63 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 114.364 1.246 . . . . 0.0 114.364 173.47 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -148.78 131.49 15.96 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 119.19 0.905 . . . . 0.0 113.379 -172.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.47 -55.65 5.34 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 113.665 0.987 . . . . 0.0 113.665 -172.444 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.446 ' H ' ' HD2' ' A' ' 57' ' ' ARG . 0.7 OUTLIER -68.01 -24.21 65.09 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 114.517 1.303 . . . . 0.0 114.517 -173.886 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -75.12 -46.33 35.13 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.435 0.694 . . . . 0.0 110.761 172.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.32 -23.9 66.44 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 114.255 1.206 . . . . 0.0 114.255 174.571 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.56 -28.46 65.54 Favored 'General case' 0 CA--C 1.546 0.8 0 O-C-N 121.278 -0.889 . . . . 0.0 113.297 176.301 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -70.2 -19.23 63.18 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 174.329 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -73.72 -56.16 5.34 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 119.171 0.896 . . . . 0.0 111.124 172.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -60.4 -39.52 81.29 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 O-C-N 121.483 -0.76 . . . . 0.0 112.655 -175.036 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.83 -9.2 26.68 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 114.71 1.374 . . . . 0.0 114.71 176.383 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.15 -23.08 16.92 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 125.738 1.615 . . . . 0.0 112.492 170.791 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -98.14 -16.56 19.47 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 125.616 1.567 . . . . 0.0 114.728 178.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 40.8 p-10 -67.76 -179.32 1.11 Allowed 'General case' 0 CA--C 1.551 0.994 0 N-CA-C 115.834 1.791 . . . . 0.0 115.834 -170.068 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 89.76 81.69 1.34 Allowed Glycine 0 CA--C 1.528 0.862 0 C-N-CA 125.667 1.603 . . . . 0.0 110.599 -171.607 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 22.3 p -68.52 123.18 20.13 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-O 121.646 0.736 . . . . 0.0 112.71 -172.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -100.45 140.88 34.08 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 126.691 1.996 . . . . 0.0 112.167 176.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 5.5 p90 -154.58 169.79 23.02 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 126.397 1.879 . . . . 0.0 111.197 -179.014 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 72.8 mt-10 60.55 18.86 8.72 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 126.173 1.789 . . . . 0.0 115.517 177.083 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 175.13 -77.18 0.08 OUTLIER Glycine 0 CA--C 1.528 0.873 0 C-N-CA 124.937 1.256 . . . . 0.0 110.883 175.635 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -67.45 156.45 36.58 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 122.874 0.469 . . . . 0.0 110.615 159.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 8.6 ptpt -147.47 89.77 1.81 Allowed 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.421 1.088 . . . . 0.0 112.364 -174.232 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.8 mp -149.09 114.77 5.63 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 126.439 1.895 . . . . 0.0 108.097 173.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 14.3 ttm180 -125.25 138.15 54.1 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.254 1.022 . . . . 0.0 110.556 175.401 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.2 t -143.92 132.21 18.6 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 124.812 1.245 . . . . 0.0 109.148 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -154.96 138.95 16.37 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 123.927 0.891 . . . . 0.0 110.211 177.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 37.6 t -124.54 117.14 26.48 Favored Pre-proline 0 CA--C 1.538 0.501 0 C-N-CA 123.371 0.668 . . . . 0.0 110.216 -175.44 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -68.63 -24.67 35.18 Favored 'Trans proline' 0 CA--C 1.542 0.912 0 C-N-CA 122.887 2.391 . . . . 0.0 113.728 -179.506 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 12.6 p90 -83.12 4.49 26.2 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 115.027 1.492 . . . . 0.0 115.027 178.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -73.19 45.17 0.16 Allowed 'General case' 0 CA--C 1.555 1.164 0 C-N-CA 126.402 1.881 . . . . 0.0 115.345 -167.595 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -154.03 -57.8 0.12 Allowed 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.555 1.542 . . . . 0.0 112.087 172.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 54.46 22.63 3.98 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 126.598 1.959 . . . . 0.0 114.257 -174.74 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 67.6 mt-10 . . . . . 0 C--O 1.252 1.228 0 C-N-CA 127.041 2.136 . . . . 0.0 112.28 -177.82 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 101' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.222 1 O4'-C1'-N19 113.15 4.95 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 102' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.65 0 O4'-C1'-N19 111.179 2.979 . 0.099 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 103' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.069 1 O4'-C1'-N19 115.738 7.538 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.376 1 O4'-C1'-N19 113.814 5.614 . 0.01 4g . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 105' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.271 0 O4'-C1'-N19 110.14 1.94 . 0.574 5d . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 106' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.144 0 O4'-C1'-N19 110.806 2.606 . 0.112 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.492 0 N-CA-C 111.987 -0.445 . . . . 0.0 111.987 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 36.7 t -152.36 109.97 3.61 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.57 1.148 . . . . 0.0 110.588 176.514 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 77.4 m80 -146.53 -56.5 0.27 Allowed 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.854 1.262 . . . . 0.0 112.69 -174.208 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.8 ptp -162.78 -178.85 6.41 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 126.455 1.902 . . . . 0.0 110.469 -172.504 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.6 p -144.41 120.66 4.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 CA-C-O 121.929 0.871 . . . . 0.0 111.261 164.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 9.5 tp -77.64 160.4 4.72 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.846 0 C-N-CA 125.422 1.489 . . . . 0.0 111.968 -179.393 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.41 157.27 37.41 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.843 1.257 . . . . 0.0 111.354 176.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 57.04 -160.82 0.22 Allowed 'General case' 0 CA--C 1.554 1.109 0 C-N-CA 124.978 1.311 . . . . 0.0 111.457 -170.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.5 m -82.42 -71.9 0.47 Allowed 'General case' 0 N--CA 1.473 0.707 0 O-C-N 120.396 -1.44 . . . . 0.0 111.723 167.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . 0.279 2.5 m 54.49 140.95 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.486 1.333 0 C-N-CA 128.509 2.723 . . . . 0.0 115.09 -171.29 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.1 t -81.58 161.97 23.32 Favored 'General case' 0 N--CA 1.467 0.423 0 O-C-N 120.439 -1.413 . . . . 0.0 112.277 172.371 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.77 125.54 11.89 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 127.225 2.21 . . . . 0.0 108.76 -169.14 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -144.25 135.97 22.01 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 125.25 1.42 . . . . 0.0 110.337 171.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -128.74 136.01 49.98 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 126.265 1.826 . . . . 0.0 108.772 166.002 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.4 m -120.17 91.23 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 124.699 1.2 . . . . 0.0 109.946 179.324 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -76.4 138.35 22.39 Favored Glycine 0 CA--C 1.526 0.725 0 C-N-CA 125.309 1.433 . . . . 0.0 113.822 -176.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.5 m120 60.78 26.49 16.3 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.749 1.62 . . . . 0.0 113.799 173.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -58.38 142.74 81.44 Favored Pre-proline 0 CA--C 1.552 1.035 0 C-N-CA 124.41 1.084 . . . . 0.0 112.962 -174.204 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -69.16 111.09 2.59 Favored 'Trans proline' 0 CA--C 1.54 0.801 0 C-N-CA 123.196 2.598 . . . . 0.0 111.351 -178.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.7 t 61.86 130.4 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 127.448 2.299 . . . . 0.0 114.08 -167.53 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 25.7 p80 -69.59 143.81 53.21 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 120.888 -1.133 . . . . 0.0 111.494 178.03 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 13.4 p -106.55 142.91 18.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.825 0 C-N-CA 124.775 1.23 . . . . 0.0 112.705 -163.477 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.2 m -69.9 148.29 49.18 Favored 'General case' 0 N--CA 1.474 0.766 0 O-C-N 121.33 -0.856 . . . . 0.0 112.088 176.23 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 71.1 p -60.25 -39.71 87.72 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.811 0.844 . . . . 0.0 112.752 179.46 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -60.68 -39.29 87.89 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.23 1.012 . . . . 0.0 112.36 172.151 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -68.11 -44.36 76.34 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 118.541 0.61 . . . . 0.0 111.481 -177.249 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 18.8 m -68.67 -36.69 75.58 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 CA-C-N 119.004 0.82 . . . . 0.0 112.258 172.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 50.6 tt0 -61.55 -37.99 85.84 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 119.544 1.066 . . . . 0.0 112.394 174.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -79.54 -31.91 42.12 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 123.9 0.88 . . . . 0.0 112.971 177.23 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -86.06 -55.45 3.93 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.852 0.861 . . . . 0.0 113.29 -176.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -71.71 -22.84 61.58 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 -172.239 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 -57.81 -18.95 25.15 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 114.882 1.438 . . . . 0.0 114.882 178.688 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.03 -35.5 78.75 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.78 1.232 . . . . 0.0 111.486 175.443 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.447 ' CD1' ' HB2' ' A' ' 62' ' ' ALA . 49.7 m-85 -81.47 -30.48 33.37 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.041 0.936 . . . . 0.0 113.295 -178.029 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -175.22 160.36 29.05 Favored Glycine 0 CA--C 1.534 1.25 0 C-N-CA 124.65 1.119 . . . . 0.0 113.02 176.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -67.63 112.7 4.91 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 121.673 -0.898 . . . . 0.0 111.348 -179.331 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -75.17 131.41 35.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 126.198 1.799 . . . . 0.0 113.051 -176.203 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -97.88 -40.97 8.24 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.595 1.158 . . . . 0.0 112.276 171.09 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.439 ' HE2' ' C6 ' ' B' ' 104' ' ' ' U' . 0.0 OUTLIER -149.36 147.72 28.64 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.933 1.293 . . . . 0.0 111.502 -178.056 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 26.4 p -149.15 147.65 28.71 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.194 1.398 . . . . 0.0 110.627 173.542 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -165.34 159.23 16.96 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.909 0.884 . . . . 0.0 112.631 172.228 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 77.7 t -98.49 136.27 30.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 124.345 1.058 . . . . 0.0 110.477 167.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.426 ' HA ' ' HE2' ' A' ' 40' ' ' LYS . 11.4 mmpt? -115.86 162.18 17.71 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 127.222 2.209 . . . . 0.0 110.384 174.312 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -145.04 157.81 44.01 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.97 1.708 . . . . 0.0 110.911 -169.046 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.0 t -133.34 155.99 48.44 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.448 1.099 . . . . 0.0 112.216 177.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 83.8 t -60.43 -25.28 33.8 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 125.53 1.532 . . . . 0.0 111.742 173.063 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.1 t -66.98 -12.15 58.92 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 124.743 1.217 . . . . 0.0 113.843 171.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 94.11 -6.24 72.33 Favored Glycine 0 CA--C 1.535 1.308 0 C-N-CA 125.951 1.739 . . . . 0.0 115.752 174.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.8 159.02 35.05 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 118.658 1.229 . . . . 0.0 113.005 174.254 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -131.65 149.91 52.33 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 125.861 1.664 . . . . 0.0 111.112 177.478 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -153.76 131.22 11.33 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.417 0.687 . . . . 0.0 111.664 -176.503 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -92.67 146.21 23.83 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.906 -0.496 . . . . 0.0 111.712 169.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -128.28 132.01 48.7 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 126.834 2.054 . . . . 0.0 109.316 177.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.7 mp -138.92 144.59 29.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 124.645 1.178 . . . . 0.0 110.729 -179.538 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -122.71 128.48 50.61 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.954 1.702 . . . . 0.0 111.683 177.684 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -111.84 159.32 18.44 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.228 1.011 . . . . 0.0 112.947 172.584 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 48.6 tt0 -64.94 -42.25 94.82 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 114.423 1.268 . . . . 0.0 114.423 -177.255 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 -114.78 126.27 54.64 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.039 1.335 . . . . 0.0 112.213 -177.32 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.48 -53.2 17.23 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.505 0.722 . . . . 0.0 112.628 179.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.47 -20.71 64.63 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 114.943 1.461 . . . . 0.0 114.943 -172.727 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -70.34 -44.61 67.85 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.54 0.736 . . . . 0.0 111.065 172.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -90.53 -7.6 52.49 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 114.885 1.439 . . . . 0.0 114.885 -178.505 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.17 -27.53 63.92 Favored 'General case' 0 CA--C 1.545 0.774 0 O-C-N 120.771 -1.206 . . . . 0.0 112.723 175.008 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -64.48 -20.65 66.32 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 114.193 1.182 . . . . 0.0 114.193 171.426 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.447 ' HB2' ' CD1' ' A' ' 31' ' ' TYR . . . -74.52 -53.43 9.48 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.578 0.751 . . . . 0.0 110.824 167.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 8.4 mm -52.48 -44.89 45.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 124.326 1.05 . . . . 0.0 111.421 -178.433 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.39 3.56 2.89 Favored 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 115.797 1.777 . . . . 0.0 115.797 178.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -130.78 -13.76 3.65 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 115.226 1.565 . . . . 0.0 115.226 163.437 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.3 mmpt? -75.84 -25.27 56.09 Favored 'General case' 0 N--CA 1.482 1.125 0 CA-C-N 120.084 1.311 . . . . 0.0 111.963 166.263 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 50.3 p-10 -65.17 179.3 0.74 Allowed 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 125.457 1.503 . . . . 0.0 113.826 176.072 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 80.31 54.02 3.93 Favored Glycine 0 CA--C 1.532 1.143 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -166.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 25.0 p -58.17 151.13 19.75 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.064 1.346 . . . . 0.0 112.84 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -147.75 150.55 34.48 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.071 0.948 . . . . 0.0 112.556 -176.569 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -153.01 179.54 8.6 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.159 1.383 . . . . 0.0 111.801 -166.154 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 60.01 16.58 5.96 Favored 'General case' 0 N--CA 1.483 1.185 0 N-CA-C 115.44 1.644 . . . . 0.0 115.44 176.27 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 177.11 -58.74 0.1 OUTLIER Glycine 0 CA--C 1.529 0.91 0 C-N-CA 125.277 1.417 . . . . 0.0 111.064 178.339 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -78.99 159.26 27.73 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.846 0.858 . . . . 0.0 110.613 160.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.1 80.97 1.89 Allowed 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 125.692 1.597 . . . . 0.0 110.417 -175.162 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.2 mt -153.29 101.42 2.53 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.099 1.359 . . . . 0.0 110.287 177.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 13.6 ttm180 -108.69 136.65 47.91 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.657 1.183 . . . . 0.0 110.528 170.605 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 90.1 t -138.8 132.31 39.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 124.522 1.129 . . . . 0.0 110.334 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -159.51 156.9 29.0 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 126.116 1.766 . . . . 0.0 109.646 -179.123 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 25.5 m -79.29 116.76 62.82 Favored Pre-proline 0 N--CA 1.476 0.854 0 C-N-CA 123.774 0.83 . . . . 0.0 110.882 173.238 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -78.83 -44.87 0.13 Allowed 'Trans proline' 0 C--N 1.352 0.741 0 C-N-CA 122.502 2.135 . . . . 0.0 114.013 -173.089 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -82.81 -29.93 29.16 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 113.191 0.811 . . . . 0.0 113.191 -174.006 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 66.2 t30 59.2 132.64 0.01 OUTLIER 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 128.753 2.821 . . . . 0.0 115.67 -172.131 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -159.12 -100.05 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.956 1.303 . . . . 0.0 111.723 178.253 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 17.0 mmp_? -71.68 153.31 42.14 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.935 1.294 . . . . 0.0 111.902 173.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 . . . . . 0 C--O 1.254 1.297 0 C-N-CA 127.09 2.156 . . . . 0.0 113.263 -177.571 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 101' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.176 1 O4'-C1'-N19 113.634 5.434 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 102' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 1.846 1 O4'-C1'-N19 113.979 5.779 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 103' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.718 0 O4'-C1'-N19 111.379 3.179 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 104' ' ' ' U' . . . . . 0.439 ' C6 ' ' HE2' ' A' ' 36' ' ' LYS . . . . . . . . 0 O4'--C4' 1.424 -2.451 4 O4'-C1'-N19 115.051 6.851 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 105' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.224 0 C4'-C3'-C2' 100.231 -2.469 . 0.318 5d . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 106' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.073 0 C5'-C4'-C3' 111.43 -2.713 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.568 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 20.3 m -68.7 -58.27 4.48 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.915 0.886 . . . . 0.0 113.182 -172.626 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 31.5 m80 -141.23 9.85 2.1 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.937 1.295 . . . . 0.0 114.225 -173.268 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mpt? 60.77 159.41 0.04 OUTLIER 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 127.806 2.442 . . . . 0.0 115.077 -172.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 9.6 p -123.36 -18.38 4.26 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 C-N-CA 125.266 1.426 . . . . 0.0 113.689 -174.354 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.8 mp -75.47 126.9 36.76 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 124.307 1.043 . . . . 0.0 110.219 178.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -98.45 -6.82 29.7 Favored 'General case' 0 N--CA 1.481 1.107 0 N-CA-C 114.987 1.477 . . . . 0.0 114.987 -176.261 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -120.22 104.25 9.91 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.752 1.221 . . . . 0.0 111.376 -175.023 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.1 t -164.82 176.13 9.01 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 126.61 1.964 . . . . 0.0 110.492 177.438 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 25.1 m -128.03 132.6 68.44 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 125.153 1.381 . . . . 0.0 110.515 170.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 35.5 t -85.64 164.62 17.59 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 124.272 1.029 . . . . 0.0 111.422 176.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -145.38 165.04 29.65 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.704 1.202 . . . . 0.0 112.751 -179.165 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.3 mp -120.74 127.21 75.91 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 C-N-CA 123.805 0.842 . . . . 0.0 108.925 156.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -89.61 127.65 35.93 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.301 0.64 . . . . 0.0 109.574 160.439 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.9 p -137.35 126.27 34.83 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 C-N-CA 123.278 0.631 . . . . 0.0 110.489 167.147 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -128.25 170.48 19.61 Favored Glycine 0 CA--C 1.525 0.717 0 C-N-CA 125.907 1.718 . . . . 0.0 113.089 -175.153 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 26.0 m120 51.31 32.19 8.02 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 124.515 1.126 . . . . 0.0 112.532 -175.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.3 pp -66.44 154.54 90.59 Favored Pre-proline 0 CA--C 1.548 0.899 0 C-N-CA 125.33 1.452 . . . . 0.0 113.741 -165.368 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -74.83 139.2 24.47 Favored 'Trans proline' 0 CA--C 1.537 0.631 0 C-N-CA 123.009 2.472 . . . . 0.0 111.959 -176.03 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 49.9 m 48.69 -113.78 0.6 Allowed 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 125.284 1.434 . . . . 0.0 111.661 -178.244 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 59.2 t60 -149.69 115.48 5.62 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.442 1.097 . . . . 0.0 109.7 164.096 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 27.1 m -79.98 138.17 20.33 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 123.397 0.679 . . . . 0.0 112.423 -174.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.4 m -79.95 133.96 36.23 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.91 0.884 . . . . 0.0 110.754 169.696 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 79.4 p -57.15 -34.52 68.5 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 113.755 1.02 . . . . 0.0 113.755 -173.216 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.26 -33.88 76.24 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.621 1.168 . . . . 0.0 113.048 179.006 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -75.16 -39.49 60.3 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.598 0.759 . . . . 0.0 111.626 -176.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -73.49 -33.47 39.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 O-C-N 121.868 -0.52 . . . . 0.0 111.199 175.041 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -56.24 -44.9 80.1 Favored 'General case' 0 CA--C 1.54 0.586 0 O-C-N 121.185 -0.947 . . . . 0.0 111.533 167.543 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -64.2 -30.26 71.33 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 112.875 0.694 . . . . 0.0 112.875 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -70.45 -49.44 48.61 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.228 1.011 . . . . 0.0 111.668 170.055 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -73.59 -34.72 65.23 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 114.875 1.435 . . . . 0.0 114.875 -173.621 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.0 ptp180 -58.05 -20.12 36.8 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 115.943 1.831 . . . . 0.0 115.943 -167.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.23 -30.73 68.94 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-N 119.211 0.914 . . . . 0.0 112.967 176.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -77.64 -19.85 54.78 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.69 1.196 . . . . 0.0 113.329 178.23 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 161.4 159.27 9.94 Favored Glycine 0 CA--C 1.532 1.112 0 C-N-CA 126.131 1.824 . . . . 0.0 110.551 -178.665 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -64.85 139.27 58.74 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 117.939 0.869 . . . . 0.0 111.393 179.384 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -98.13 132.96 42.01 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 C-N-CA 125.416 1.486 . . . . 0.0 109.215 171.582 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -84.04 -44.93 13.61 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 124.792 1.237 . . . . 0.0 111.266 -179.283 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.75 162.71 40.47 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.222 1.409 . . . . 0.0 112.722 174.5 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 42.0 t -139.68 149.83 44.16 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.814 1.646 . . . . 0.0 110.473 178.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -156.15 161.67 40.31 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.157 1.383 . . . . 0.0 111.732 175.123 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.4 p -143.01 136.75 26.24 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 124.874 1.27 . . . . 0.0 111.947 178.259 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.4 160.36 26.99 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 127.243 2.217 . . . . 0.0 110.601 -174.557 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.07 154.19 42.96 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.974 1.31 . . . . 0.0 112.664 176.362 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 31.0 p -109.94 163.48 13.51 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.047 1.339 . . . . 0.0 111.976 179.171 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 34.6 m -65.72 -16.28 20.16 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.165 0 N-CA-C 113.457 0.91 . . . . 0.0 113.457 174.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.7 t -72.84 -15.49 61.62 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.836 1.254 . . . . 0.0 112.932 170.112 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 91.81 1.69 70.36 Favored Glycine 0 CA--C 1.537 1.429 0 C-N-CA 125.545 1.545 . . . . 0.0 114.642 -178.547 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.06 154.53 39.17 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 118.492 1.146 . . . . 0.0 111.399 170.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -139.99 149.95 43.87 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.462 1.105 . . . . 0.0 112.487 -179.387 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -145.93 127.38 15.01 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 125.59 1.556 . . . . 0.0 110.37 -168.02 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -109.54 143.38 39.29 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-O 121.87 0.843 . . . . 0.0 111.984 176.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -126.69 119.45 27.0 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 126.187 1.795 . . . . 0.0 108.048 -177.039 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.9 mp -133.45 135.59 55.8 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 C-N-CA 124.362 1.065 . . . . 0.0 108.904 -169.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -109.79 112.48 24.56 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.441 1.097 . . . . 0.0 112.454 -173.64 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -89.36 155.15 19.53 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 126.4 1.88 . . . . 0.0 112.693 176.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 54.0 tt0 -73.79 -43.33 59.23 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 114.013 1.116 . . . . 0.0 114.013 173.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -131.4 109.94 10.69 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.701 1.2 . . . . 0.0 113.211 -169.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.27 -35.16 80.16 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 178.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 47.6 ttt85 -68.36 -42.16 79.59 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.351 1.06 . . . . 0.0 112.527 179.129 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -75.77 -42.33 50.63 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.251 0.62 . . . . 0.0 111.552 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -76.21 -0.67 23.05 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 115.088 1.514 . . . . 0.0 115.088 176.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.54 -31.63 66.27 Favored 'General case' 0 CA--C 1.543 0.674 0 O-C-N 121.14 -0.975 . . . . 0.0 112.605 178.164 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -62.67 -39.13 92.98 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 113.03 0.752 . . . . 0.0 113.03 174.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.96 -46.91 76.38 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 119.036 0.835 . . . . 0.0 111.207 173.517 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 20.1 mm -59.3 -44.01 91.27 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.593 0 C-N-CA 123.78 0.832 . . . . 0.0 111.262 179.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.13 -29.77 34.71 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 114.642 1.349 . . . . 0.0 114.642 -178.42 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.85 -34.58 51.7 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 120.559 1.527 . . . . 0.0 112.542 177.268 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -78.98 2.3 20.86 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 125.009 1.324 . . . . 0.0 113.861 174.521 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -68.36 176.83 2.61 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 114.75 1.389 . . . . 0.0 114.75 -173.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 77.52 76.4 0.88 Allowed Glycine 0 CA--C 1.53 1.028 0 C-N-CA 124.25 0.929 . . . . 0.0 112.064 179.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 26.1 p -60.11 148.66 35.14 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 123.797 0.839 . . . . 0.0 112.646 178.239 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -145.2 155.06 43.04 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.116 1.366 . . . . 0.0 111.572 -174.36 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -157.81 179.86 8.8 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.117 1.367 . . . . 0.0 111.442 -169.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 59.73 20.66 9.4 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 125.737 1.615 . . . . 0.0 115.063 178.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 166.99 -29.92 0.18 Allowed Glycine 0 CA--C 1.534 1.272 0 C-N-CA 124.704 1.145 . . . . 0.0 114.146 179.693 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -113.7 140.92 47.85 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.306 1.443 . . . . 0.0 111.137 174.639 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.75 60.01 0.74 Allowed 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 126.501 1.921 . . . . 0.0 111.188 -174.339 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 10.9 mt -146.1 104.39 3.82 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.581 1.153 . . . . 0.0 111.967 -177.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 55.5 ttm-85 -120.84 124.36 44.85 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.815 1.246 . . . . 0.0 109.802 165.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 92.3 t -137.77 142.25 36.77 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 125.918 1.687 . . . . 0.0 109.283 178.188 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.3 179.11 8.18 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 124.045 0.938 . . . . 0.0 112.06 -174.653 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -49.65 153.15 2.13 Favored Pre-proline 0 N--CA 1.481 1.111 0 C-N-CA 126.883 2.073 . . . . 0.0 113.834 -179.55 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -66.55 46.23 0.23 Allowed 'Trans proline' 0 CA--C 1.554 1.525 1 C-N-CA 126.421 4.747 . . . . 0.0 115.569 179.015 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 54.38 22.73 3.95 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 126.988 2.115 . . . . 0.0 114.633 -178.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 15.2 m120 59.75 104.07 0.02 OUTLIER 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 127.311 2.244 . . . . 0.0 112.834 -168.222 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -139.7 173.09 11.89 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.539 1.535 . . . . 0.0 112.449 -173.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 48.7 ttt-85 60.27 30.83 20.17 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 126.048 1.739 . . . . 0.0 113.681 -178.293 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 62.9 tt0 . . . . . 0 C--O 1.252 1.224 0 C-N-CA 127.209 2.204 . . . . 0.0 111.883 178.395 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 101' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.456 0 O4'-C1'-N19 111.895 3.695 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 102' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.068 1 O4'-C1'-N19 114.494 6.294 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 103' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.546 2.781 2 O4'-C1'-N19 113.236 5.036 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.107 1 O4'-C1'-N19 114.64 6.44 . 0.104 4n . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 105' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.29 0 O4'-C1'-N19 111.852 3.652 . 0.471 5p . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 106' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.724 0 P-O3'-C3' 123.463 3.135 . 0.518 6n . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_