data_6cuc_residue ############################ # Computer software used # ############################ 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 6cuc _Structure_validation_residue.Date_analyzed 2019-03-22 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 29.6 p . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.887 0.375 . . . . 75.34 110.827 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -83.6 132.7 34.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 73.24 111.062 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.8 mmmm -59.65 175.0 0.39 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 73.32 110.905 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 62.1 tt0 -69.18 123.64 21.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 74.43 110.902 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.78 -28.7 9.71 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.684 -0.77 . . . . 42.5 112.511 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -65.03 159.91 22.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.912 0.387 . . . . 75.42 110.862 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 t -72.63 150.01 8.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 74.32 111.126 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 17.6 p -122.31 142.79 50.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 72.3 110.877 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 91.6 p -123.74 -173.85 2.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 75.21 110.92 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 72.0 t90 -60.04 -38.94 84.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.175 -0.466 . . . . 71.54 110.898 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -92.76 -24.86 22.15 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.772 -0.727 . . . . 64.31 112.464 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.62 106.97 17.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.825 0.345 . . . . 74.3 110.888 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -105.81 144.97 31.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.292 -0.413 . . . . 73.54 110.905 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 61.1 m -52.18 132.43 33.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 64.15 110.871 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 66.9 m -52.18 -36.3 51.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 71.34 110.854 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -113.52 99.39 7.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.471 . . . . 71.02 110.884 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 46.6 mt -79.58 -36.54 38.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 75.41 110.897 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -61.94 -37.05 83.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 70.11 110.863 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -94.26 -58.65 2.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 73.15 110.902 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -97.53 162.01 13.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 73.23 110.896 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -153.09 176.83 11.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 75.43 110.914 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 98.2 m -108.36 88.67 5.15 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.607 0.717 . . . . 71.13 110.883 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 149.21 66.92 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.74 2.293 . . . . 74.21 112.378 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 27.9 ttm -79.93 104.61 10.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 72.34 110.909 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -163.3 -179.24 6.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 72.03 110.865 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -51.99 -55.92 17.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 74.52 110.879 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.9 mp -123.83 102.14 35.35 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.628 0.728 . . . . 75.44 111.105 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 121.45 8.14 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.678 2.252 . . . . 62.21 112.338 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 33.3 m80 -114.12 169.38 9.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 74.12 110.799 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 68.8 m -105.19 65.57 0.73 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 72.31 110.856 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.88 165.75 12.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 73.34 110.876 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.5 ttmt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 75.53 110.886 179.875 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 16.9 p . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.775 0.321 . . . . 70.21 110.894 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.69 112.26 11.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 74.23 111.147 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -76.91 167.79 21.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 74.44 110.873 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 16.6 tm-20 -51.53 128.19 22.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 74.22 110.879 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 102.55 -29.81 11.72 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.721 -0.752 . . . . 73.35 112.494 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -63.28 154.8 30.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.928 0.394 . . . . 73.42 110.877 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 23.3 t -89.22 149.59 3.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.118 -0.492 . . . . 73.43 111.128 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 34.7 m -116.91 151.61 36.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.448 . . . . 74.12 110.897 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 141.54 -33.49 1.97 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.755 -0.736 . . . . 74.1 112.467 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 19.4 m-90 -94.57 51.48 1.43 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.882 0.372 . . . . 74.32 110.948 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 63.79 32.53 84.49 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.741 -0.742 . . . . 72.25 112.517 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.37 119.44 39.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.976 0.417 . . . . 74.03 110.844 -179.698 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -106.68 127.87 53.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 74.01 110.93 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 72.4 m -55.19 150.08 11.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 72.44 110.868 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 22.1 m -66.68 166.89 12.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 71.13 110.859 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 9.4 p80 -52.14 128.72 25.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 74.41 110.849 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 96.78 -23.27 36.17 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.779 -0.724 . . . . 71.13 112.49 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 13.2 mt -102.96 160.21 14.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.777 0.322 . . . . 74.14 110.929 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -153.18 161.47 42.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.462 . . . . 74.42 110.885 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -115.79 133.69 22.8 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.615 0.722 . . . . 74.13 110.901 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 167.26 25.04 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.703 2.269 . . . . 75.4 112.358 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -97.2 95.19 7.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 72.24 110.921 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -160.07 -174.58 4.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 63.2 111.143 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -52.91 -66.02 0.46 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 72.44 110.84 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.6 mp -126.2 82.71 65.0 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.59 0.71 . . . . 74.23 111.1 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 169.83 18.01 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.663 2.242 . . . . 74.41 112.303 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -143.85 131.29 21.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 75.54 110.95 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 54.3 m -51.2 137.38 22.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 70.11 110.899 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -157.89 147.16 19.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 75.31 110.843 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 27.1 mmtp -51.53 118.87 3.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 73.1 110.871 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 32.0 t80 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 75.3 110.944 -179.985 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 28.0 p . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.834 0.35 . . . . 62.12 110.896 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -89.55 127.68 35.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 74.2 111.124 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 52.3 mtpt -65.26 171.15 4.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 73.32 110.912 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -63.01 121.74 14.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 75.52 110.9 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.75 -28.72 9.66 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.747 -0.739 . . . . 55.02 112.493 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -61.1 161.02 9.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.873 0.368 . . . . 74.35 110.92 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.3 t -75.81 150.51 6.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 64.31 111.113 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.3 p -116.82 142.16 47.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 64.12 110.884 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 97.7 p -137.38 -174.55 3.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 63.13 110.859 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 69.9 p-90 -63.12 -37.9 89.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.117 -0.492 . . . . 73.21 110.927 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -87.63 -24.81 34.67 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.707 -0.758 . . . . 72.03 112.487 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.63 108.9 20.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.869 0.366 . . . . 74.22 110.915 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 34.4 mttp -107.26 125.89 51.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 72.34 110.893 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -51.97 134.05 32.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 74.02 110.839 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -59.82 -35.97 75.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.094 -0.503 . . . . 74.41 110.904 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -118.62 78.68 1.29 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 71.23 110.849 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 57.2 mt -67.39 -35.25 78.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.45 . . . . 72.24 110.938 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -59.04 -35.86 74.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 75.25 110.851 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -90.81 -56.7 3.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 70.3 110.903 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -94.69 138.75 32.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 74.55 110.854 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 5.2 p90 -131.8 159.51 38.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 71.23 110.893 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 76.9 m -108.73 88.87 5.68 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.606 0.717 . . . . 74.41 110.862 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 165.24 31.63 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.691 2.261 . . . . 72.04 112.333 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 87.2 mmm -69.44 106.13 2.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 73.34 110.876 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -163.39 165.44 23.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 75.13 110.873 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -51.88 -56.37 14.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 74.34 110.891 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.41 ' HA ' ' HD2' ' A' ' 30' ' ' PRO . 3.7 mp -123.86 102.24 35.15 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.614 0.721 . . . . 73.34 111.137 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 29' ' ' ILE . 53.9 Cg_endo -69.74 142.03 46.92 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.709 2.273 . . . . 71.02 112.357 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 32.9 m80 -136.9 144.46 43.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 72.5 110.895 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 34.7 m -71.69 81.24 0.85 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.443 . . . . 65.42 110.882 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.87 146.93 39.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 74.13 110.86 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 18.1 mtpt . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 63.4 110.9 179.853 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 17.4 p . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.848 0.356 . . . . 75.33 110.919 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.45 110.46 5.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 55.11 111.095 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 46.3 pttt -78.11 163.88 25.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 74.22 110.933 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -50.21 123.75 9.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 71.01 110.893 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 109.95 -29.72 9.04 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.755 -0.736 . . . . 75.11 112.473 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -66.63 150.05 49.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.924 0.392 . . . . 73.41 110.873 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 35.7 t -82.76 148.59 5.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 72.41 111.104 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 26.9 m -119.75 172.69 7.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 75.13 110.892 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 128.06 -49.76 0.91 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.776 -0.726 . . . . 70.42 112.511 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 82.8 m95 -82.55 56.09 3.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.852 0.358 . . . . 74.2 110.938 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 63.56 32.65 84.86 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.741 -0.742 . . . . 71.02 112.457 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.6 m -103.31 116.83 33.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.916 0.389 . . . . 70.12 110.856 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -107.93 118.61 37.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.104 -0.498 . . . . 75.14 110.898 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 79.6 m -51.9 154.62 2.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 71.23 110.874 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 52.9 m -57.55 161.9 3.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 71.11 110.879 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 13.8 p80 -52.36 116.35 2.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 73.25 110.856 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 109.35 -23.27 23.09 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.728 -0.748 . . . . 70.34 112.445 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 11.6 mt -102.54 153.69 19.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.797 0.332 . . . . 74.5 110.932 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -144.01 163.81 32.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 73.42 110.896 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -114.65 141.09 26.16 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.622 0.725 . . . . 75.32 110.831 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 167.88 23.1 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.696 2.264 . . . . 72.34 112.36 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 29.3 mt -96.37 95.07 7.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 74.13 110.911 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -163.6 -174.77 3.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 72.52 111.091 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -56.81 -66.55 0.43 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 64.23 110.848 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.5 mp -118.63 82.02 19.27 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.62 0.724 . . . . 72.24 111.109 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 169.83 17.94 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.652 2.234 . . . . 75.53 112.345 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -143.86 130.67 20.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 65.31 110.891 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 58.6 m -51.5 139.21 20.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 65.01 110.855 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -157.94 160.64 37.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 53.2 110.876 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 30.8 mmtp -51.8 118.86 3.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 73.24 110.946 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 88.9 t80 . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.289 -0.414 . . . . 72.51 110.917 -179.936 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 24.5 p . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.86 0.362 . . . . 71.54 110.928 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -96.87 159.52 14.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 73.11 111.111 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 20.4 mttp -78.81 174.58 11.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 75.51 110.877 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 62.4 tt0 -70.39 119.77 15.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 75.43 110.888 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.69 -28.67 9.7 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.756 -0.735 . . . . 55.45 112.524 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -60.65 156.02 17.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.912 0.387 . . . . 73.42 110.842 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.4 t -72.69 150.46 8.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.475 . . . . 75.45 111.148 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 31.9 p -116.38 137.52 52.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 73.43 110.88 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 94.9 p -116.8 -171.55 2.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 74.24 110.84 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 32.3 t90 -61.06 -36.61 80.07 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.1 -0.5 . . . . 74.12 110.911 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -95.28 -24.89 15.22 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.754 -0.736 . . . . 75.23 112.502 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.5 ttpt -103.03 108.41 19.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.889 0.376 . . . . 73.54 110.928 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -107.39 143.68 35.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 73.32 110.872 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 92.2 m -52.07 119.65 4.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 62.34 110.894 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -52.14 -39.32 59.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 74.31 110.902 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -103.17 94.64 5.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 64.31 110.842 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 71.4 mt -82.04 -37.49 26.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 74.22 110.869 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -59.58 -36.11 75.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 75.0 110.893 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -99.26 -59.06 1.79 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 73.3 110.85 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -95.07 170.79 9.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 75.23 110.913 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -166.12 176.83 7.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 74.11 110.879 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 90.1 m -108.36 88.75 5.22 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.653 0.739 . . . . 75.02 110.911 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 158.25 57.56 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.707 2.271 . . . . 51.13 112.312 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 17.8 ttm -81.17 102.36 10.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 75.51 110.896 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -163.32 176.75 9.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 61.01 110.876 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -51.95 -57.09 10.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 74.4 110.896 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.8 mp -123.84 102.13 35.35 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.577 0.703 . . . . 74.41 111.139 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 121.43 8.12 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.672 2.248 . . . . 75.54 112.325 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 31.6 m80 -114.2 143.61 44.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 74.4 110.86 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 82.4 m -76.92 64.47 2.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 54.4 110.882 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.1 ptpt -113.38 168.49 9.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 74.52 110.902 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.2 mtpm? . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 75.41 110.844 179.873 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 6.7 p . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.856 0.36 . . . . 63.11 110.871 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.03 114.38 13.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 73.52 111.11 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.2 ptmm? -77.54 163.76 26.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.266 -0.425 . . . . 71.01 110.915 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 -50.46 124.15 10.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 70.24 110.866 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 109.87 -29.71 9.09 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.745 -0.74 . . . . 75.54 112.507 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -66.58 150.46 48.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.883 0.373 . . . . 74.25 110.861 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 44.6 t -83.48 147.67 5.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 71.11 111.12 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 27.4 m -118.45 178.62 4.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 73.11 110.908 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 111.25 -34.5 5.26 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.699 -0.762 . . . . 74.44 112.501 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 95.6 m95 -89.2 48.96 1.69 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.79 0.328 . . . . 74.52 110.892 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 63.58 32.59 84.66 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.758 -0.734 . . . . 70.21 112.442 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -114.51 121.22 42.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.925 0.393 . . . . 74.41 110.872 -179.748 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.92 132.65 47.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.09 -0.504 . . . . 74.31 110.861 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 85.8 m -58.58 161.44 4.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 73.12 110.874 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 86.0 m -68.85 169.07 12.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.481 . . . . 72.54 110.885 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 9.6 t-160 -56.45 115.59 2.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 71.44 110.871 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 97.34 18.82 27.45 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.714 -0.755 . . . . 71.55 112.516 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 16.2 mt -141.53 149.18 40.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.808 0.337 . . . . 73.54 110.928 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -144.31 164.78 29.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 74.35 110.847 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -114.28 140.06 24.58 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.635 0.731 . . . . 74.31 110.875 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 167.79 23.36 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.647 2.232 . . . . 74.11 112.352 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 44.8 mt -93.67 95.1 8.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 73.14 110.943 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -163.18 -174.64 3.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 70.21 111.105 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -58.29 -66.56 0.46 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 73.31 110.891 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 4.4 mp -118.22 82.04 17.72 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.601 0.715 . . . . 73.42 111.179 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 169.73 18.21 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.645 2.23 . . . . 71.23 112.303 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -143.16 130.55 21.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 73.12 110.923 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 55.7 m -51.3 138.97 20.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.505 . . . . 71.04 110.905 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -157.98 156.55 31.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 75.35 110.847 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -51.66 118.85 3.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 74.03 110.925 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 10.1 p90 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 75.52 110.92 -179.911 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 17.3 p . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.86 0.362 . . . . 73.41 110.884 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -91.18 119.81 31.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 72.14 111.146 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.17 175.39 1.28 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 72.32 110.891 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -60.61 116.46 4.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 75.22 110.887 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.57 -28.71 14.62 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.743 -0.741 . . . . 74.41 112.477 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -57.42 160.91 3.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.899 0.38 . . . . 72.52 110.877 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 20.7 t -83.17 150.98 4.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 75.24 111.124 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 17.5 p -111.71 142.68 43.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 75.32 110.918 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 64.6 p -149.41 -179.4 7.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 72.12 110.858 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 34.2 t90 -56.84 -35.55 68.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.139 -0.482 . . . . 73.04 110.923 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -94.17 -24.88 18.16 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.727 -0.749 . . . . 75.23 112.475 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -103.76 106.49 17.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.855 0.359 . . . . 74.32 110.884 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.3 mmpt? -107.77 123.27 48.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 75.23 110.896 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -51.91 145.37 10.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 73.52 110.912 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -64.09 -46.88 82.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 75.35 110.934 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -110.81 77.02 1.01 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 70.35 110.837 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 78.4 mt -62.02 -35.28 78.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.214 -0.448 . . . . 74.44 110.932 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -56.45 -35.96 68.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 75.33 110.912 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 52.8 m-20 -92.5 -55.43 3.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 74.53 110.919 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -94.43 135.92 35.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 75.33 110.902 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 20.6 p90 -129.27 175.68 8.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 74.44 110.966 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 66.6 m -109.22 87.11 4.61 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.573 0.701 . . . . 75.0 110.915 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 158.42 56.95 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.668 2.245 . . . . 73.05 112.332 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 34.0 tpp -70.7 102.99 2.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 72.4 110.891 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -163.67 168.29 20.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 73.22 110.872 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -51.32 -57.08 9.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 75.43 110.884 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.3 mp -124.04 102.29 34.51 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.651 0.738 . . . . 73.34 111.138 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 123.28 9.93 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.663 2.242 . . . . 62.43 112.324 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 23.3 m80 -117.64 151.27 37.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 74.45 110.892 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 34.1 m -71.8 81.16 0.88 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 45.33 110.871 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.1 ttmt -115.6 130.84 57.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 74.12 110.907 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.2 ptpt . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 73.12 110.926 179.859 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 19.3 p . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.872 0.368 . . . . 51.55 110.893 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -78.07 113.42 15.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 73.32 111.111 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 47.3 pttt -76.18 166.79 22.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 73.52 110.898 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -51.6 128.7 23.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.226 -0.443 . . . . 72.42 110.894 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 102.74 -29.84 11.65 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.785 -0.721 . . . . 64.12 112.499 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -63.83 155.81 29.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.874 0.369 . . . . 63.02 110.893 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 22.1 t -90.05 149.45 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 74.24 111.186 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 33.8 m -116.61 143.57 45.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 73.42 110.871 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 154.26 -33.42 0.71 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.765 -0.731 . . . . 62.12 112.539 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 22.7 m-90 -91.53 46.35 1.29 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.802 0.334 . . . . 73.32 110.969 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 64.22 32.67 84.96 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.732 -0.747 . . . . 73.34 112.442 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -109.29 116.89 32.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.961 0.41 . . . . 74.14 110.866 -179.78 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.6 mmmm -99.71 133.42 44.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.092 -0.504 . . . . 71.54 110.908 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 74.2 m -57.8 151.42 17.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 63.42 110.855 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 25.4 m -65.63 167.07 9.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 75.51 110.88 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 5.9 p-80 -52.23 128.39 24.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 75.54 110.894 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 96.8 -23.34 35.87 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.722 -0.752 . . . . 65.33 112.478 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 20.8 mt -102.21 160.5 14.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.805 0.335 . . . . 73.22 110.96 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -153.87 160.31 42.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 73.32 110.885 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -116.24 132.15 23.43 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.638 0.732 . . . . 72.14 110.901 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 167.03 25.6 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.72 2.28 . . . . 73.01 112.342 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -97.12 95.29 7.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 73.42 110.921 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -159.66 -174.4 4.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 74.1 111.04 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -52.18 -65.84 0.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 65.1 110.863 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.9 mp -127.75 82.96 67.35 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.633 0.73 . . . . 75.01 111.111 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 169.83 18.07 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.644 2.23 . . . . 63.33 112.351 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -143.49 131.71 21.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 74.31 110.892 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 55.3 m -51.47 137.51 23.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 72.42 110.881 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -158.09 147.2 19.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 63.42 110.86 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 26.5 mmtp -51.26 118.73 3.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 75.14 110.882 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 16.5 t80 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 73.43 110.982 179.989 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 30.1 p . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.863 0.363 . . . . 65.21 110.827 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -104.91 132.51 51.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 70.41 111.094 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.67 167.8 1.39 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 73.13 110.887 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 59.7 tt0 -63.39 125.34 23.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 63.25 110.87 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.19 -28.78 9.88 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.743 -0.741 . . . . 75.3 112.482 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -62.58 158.64 17.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.904 0.383 . . . . 74.13 110.908 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 59.9 t -73.96 145.93 10.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 74.33 111.083 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 17.6 p -121.2 151.42 39.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 62.41 110.822 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 66.7 p -138.89 -174.52 3.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 72.41 110.869 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 68.9 t90 -57.27 -36.09 70.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.16 -0.473 . . . . 73.31 110.863 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -95.26 -24.84 15.41 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.733 -0.746 . . . . 55.45 112.484 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.7 tppt? -101.7 109.99 21.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.88 0.372 . . . . 74.32 110.849 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.9 mtpp -106.84 134.21 50.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 74.21 110.939 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 80.0 m -51.96 135.11 31.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 72.03 110.882 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 57.5 m -54.24 -43.69 71.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 74.11 110.905 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -103.64 98.27 8.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 73.23 110.828 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 68.0 mt -84.77 -36.19 21.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 74.5 110.943 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -61.98 -36.02 80.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 63.35 110.882 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 19.8 m120 -97.01 -56.69 2.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 71.41 110.9 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -95.9 163.23 13.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 64.14 110.911 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -156.09 176.89 12.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 72.32 110.929 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 98.4 m -108.37 88.71 5.19 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.634 0.731 . . . . 63.4 110.885 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 162.53 41.7 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.683 2.256 . . . . 63.13 112.36 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.4 107.07 16.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 75.35 110.904 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -163.31 172.1 15.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 75.41 110.879 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 51.9 m-85 -52.05 -49.8 62.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 75.13 110.876 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.4 mt -123.74 102.16 35.62 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.592 0.71 . . . . 62.4 111.152 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 121.39 8.08 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.65 2.233 . . . . 74.24 112.343 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 34.9 m170 -111.39 175.98 5.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 74.44 110.834 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 36.4 m -109.15 57.42 0.61 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 75.34 110.915 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 28.0 mtmt -113.39 170.89 7.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 73.31 110.913 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.2 ptpt . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 74.23 110.906 179.858 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 16.7 p . . . . . 0 CA--C 1.526 0.054 0 CA-C-O 120.836 0.35 . . . . 74.42 110.865 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.35 112.08 16.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 71.1 111.096 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 53.9 mttp -76.12 167.84 21.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.447 . . . . 74.03 110.947 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -51.72 129.44 26.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 65.04 110.928 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 101.09 -29.91 11.5 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.76 -0.733 . . . . 72.34 112.513 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 49.8 mm-40 -63.13 153.43 34.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.929 0.395 . . . . 70.41 110.872 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.7 t -87.97 149.91 3.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 74.13 111.145 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 35.6 m -116.44 144.36 44.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 62.1 110.895 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 147.45 -34.07 1.29 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.725 -0.75 . . . . 72.51 112.513 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 88.1 m95 -90.68 49.09 1.61 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.797 0.332 . . . . 74.41 110.883 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 64.06 32.78 85.31 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.716 -0.754 . . . . 73.14 112.472 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -112.11 123.95 51.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.957 0.408 . . . . 64.14 110.83 -179.753 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.9 mmtt -109.51 130.48 55.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.093 -0.503 . . . . 75.31 110.858 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 71.8 m -54.32 151.41 7.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 74.44 110.885 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 18.0 m -68.65 168.83 12.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 74.04 110.875 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 38.1 m-70 -53.74 127.16 24.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 73.2 110.905 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 98.56 -23.31 36.78 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.746 -0.74 . . . . 74.11 112.489 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 15.0 mt -102.24 160.51 14.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.824 0.345 . . . . 74.32 110.909 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -152.61 159.12 43.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 74.24 110.84 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -115.54 132.59 23.05 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.621 0.724 . . . . 62.52 110.895 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 166.81 26.34 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.693 2.262 . . . . 72.53 112.359 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -97.04 95.39 7.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 70.05 110.943 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -159.74 -174.71 4.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 74.33 111.094 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -52.27 -65.99 0.46 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 74.42 110.851 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.7 mp -127.19 82.83 67.45 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.626 0.727 . . . . 73.32 111.103 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 169.74 18.23 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.669 2.246 . . . . 73.43 112.324 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -143.39 131.41 21.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 75.35 110.965 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 55.4 m -51.77 137.88 24.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 71.54 110.873 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -158.05 146.66 19.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 62.12 110.919 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 61.7 mmtt -51.49 118.88 3.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 75.44 110.928 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 7.9 t80 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 75.22 110.91 -179.926 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.0 p . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.81 0.338 . . . . 73.31 110.896 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -93.85 134.68 35.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 75.42 111.065 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.6 tttm -58.92 162.36 4.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 74.23 110.877 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 61.1 tt0 -61.38 113.72 2.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 73.43 110.859 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.99 -28.66 15.01 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.694 -0.765 . . . . 74.34 112.481 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -60.31 160.22 8.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.847 0.356 . . . . 72.14 110.891 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.5 t -71.44 150.29 9.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 74.34 111.184 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.5 p -119.32 142.2 48.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 62.3 110.826 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.3 p -128.97 -179.0 4.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 71.21 110.887 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 56.2 t90 -57.48 -36.23 71.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 75.01 110.918 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -93.91 -24.8 19.14 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.708 -0.758 . . . . 75.24 112.469 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.6 ttpt -102.41 110.67 22.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.852 0.358 . . . . 73.44 110.901 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.2 mmmm -107.55 150.66 26.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 74.54 110.878 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 27.1 m -73.9 130.41 39.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 72.32 110.864 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -52.21 -45.15 65.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.499 . . . . 73.33 110.866 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -99.14 87.34 3.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 72.55 110.883 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 91.6 mt -79.2 -36.07 40.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 75.13 110.908 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -63.63 -36.03 82.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 64.53 110.859 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -92.5 -56.39 3.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 73.44 110.871 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -99.99 157.08 16.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 73.13 110.864 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -148.97 176.82 10.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.117 -0.492 . . . . 75.12 110.944 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 87.9 m -108.32 88.74 5.17 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.632 0.73 . . . . 71.11 110.913 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 152.38 69.42 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.705 2.27 . . . . 60.43 112.326 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -74.77 106.94 6.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 73.02 110.875 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -163.3 179.27 7.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.451 . . . . 72.34 110.873 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -51.94 -56.94 11.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 71.42 110.896 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.8 mp -123.84 102.21 35.26 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.613 0.72 . . . . 74.45 111.122 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 121.55 8.23 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.676 2.25 . . . . 74.34 112.328 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 30.7 m80 -114.26 169.88 8.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 74.35 110.854 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 84.8 m -97.69 59.39 1.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 63.51 110.932 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.2 ptpt -113.34 170.95 7.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 75.12 110.897 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.3 ptmt . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 71.23 110.897 179.885 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 28.5 p . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.876 0.369 . . . . 71.3 110.866 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -92.79 113.21 25.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 64.42 111.122 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -77.6 168.93 19.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 74.53 110.873 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -51.92 125.81 16.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 70.31 110.889 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 105.43 -30.0 10.57 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.724 -0.75 . . . . 75.13 112.454 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -63.4 155.69 28.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.859 0.361 . . . . 72.44 110.916 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 22.0 t -90.4 149.45 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 75.01 111.137 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 27.9 m -116.8 146.12 43.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 61.44 110.9 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 145.35 -33.53 1.57 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.751 -0.738 . . . . 72.3 112.46 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 83.1 m95 -90.51 47.27 1.41 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.757 0.313 . . . . 75.1 110.9 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 64.05 32.36 83.94 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.789 -0.72 . . . . 74.55 112.446 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.54 120.04 40.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.956 0.408 . . . . 73.31 110.867 -179.792 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.89 135.93 41.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.505 . . . . 73.02 110.863 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 93.6 m -57.34 146.66 28.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 61.42 110.852 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 33.1 m -63.22 170.44 2.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 71.44 110.882 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 17.1 p80 -57.62 123.48 15.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 63.42 110.863 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 93.81 18.67 36.81 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.711 -0.757 . . . . 55.0 112.471 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 13.2 mt -141.7 160.13 40.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.812 0.339 . . . . 74.42 110.941 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -151.23 159.33 44.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 72.23 110.91 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -116.74 133.31 23.06 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.639 0.733 . . . . 73.33 110.887 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 167.12 25.32 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.668 2.245 . . . . 75.25 112.327 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 8.8 mp -97.6 95.54 7.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 72.25 110.912 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -159.37 -174.47 4.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 71.53 111.109 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -53.04 -64.1 0.93 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 74.55 110.856 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 4.3 mp -128.63 82.6 68.3 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.644 0.735 . . . . 75.43 111.138 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 169.76 18.17 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.699 2.266 . . . . 62.41 112.341 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 43.5 m-85 -143.61 132.15 22.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 75.45 110.914 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 54.6 m -51.55 137.49 24.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 73.14 110.908 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -156.08 151.56 26.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 75.23 110.868 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 52.9 mmtt -51.71 119.01 3.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 75.21 110.915 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 17.3 t80 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 73.33 110.901 -179.934 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 27.2 p . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.837 0.351 . . . . 73.35 110.898 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -96.66 159.85 14.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.462 . . . . 74.55 111.099 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.1 mmmt -77.56 172.88 12.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 63.52 110.851 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 61.8 tt0 -70.53 118.14 12.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 73.34 110.867 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.68 -28.71 9.6 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.713 -0.756 . . . . 65.1 112.481 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 54.3 mm-40 -61.47 148.04 43.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.885 0.374 . . . . 60.12 110.91 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.4 t -62.18 150.47 8.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 73.21 111.151 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.6 p -113.29 141.93 46.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 65.41 110.834 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 77.4 p -114.28 -173.71 2.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 72.11 110.875 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 51.1 t90 -62.77 -35.66 80.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 75.32 110.941 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -99.42 -24.83 9.81 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.704 -0.76 . . . . 73.13 112.472 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.59 106.54 18.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.854 0.359 . . . . 74.12 110.905 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -107.57 157.34 18.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 74.2 110.866 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 56.5 m -57.77 122.74 13.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 73.11 110.87 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -52.23 -36.14 51.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 75.24 110.911 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -114.27 100.2 8.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 75.52 110.854 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 77.2 mt -80.63 -36.34 32.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 74.43 110.905 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -61.88 -36.05 80.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 74.43 110.848 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -96.33 -58.57 2.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 72.24 110.91 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -94.72 164.72 12.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 74.51 110.878 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -164.1 158.65 19.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.492 . . . . 75.31 110.914 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.5 m -111.82 88.46 9.82 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.599 0.714 . . . . 71.35 110.933 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 170.57 16.26 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.737 2.291 . . . . 63.35 112.286 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 18.7 mtp -80.55 108.69 14.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.457 . . . . 71.54 110.884 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 21.1 pt-20 -163.31 178.36 8.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 75.02 110.893 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -52.04 -57.02 10.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 73.34 110.903 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.7 mp -123.89 102.12 35.2 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.668 0.747 . . . . 74.21 111.146 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 121.45 8.15 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.68 2.253 . . . . 74.31 112.386 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 23.0 m80 -114.47 176.84 4.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 75.5 110.847 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 85.2 m -115.01 66.41 0.69 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 71.3 110.878 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.1 mtpt -113.49 167.71 10.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 64.23 110.916 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.1 tppt? . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 73.44 110.9 179.888 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 4.9 p . . . . . 0 CA--C 1.527 0.074 0 CA-C-O 120.782 0.325 . . . . 65.14 110.881 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.88 112.17 9.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 74.12 111.077 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 31.0 mttt -76.06 167.94 20.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 75.44 110.899 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -51.68 127.38 20.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 75.3 110.838 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 103.44 -29.8 11.6 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.72 -0.752 . . . . 64.35 112.483 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -63.66 155.23 30.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.881 0.372 . . . . 72.23 110.934 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.4 t -89.32 150.44 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 73.13 111.127 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 34.5 m -116.55 167.76 10.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 70.44 110.839 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 114.52 -34.17 5.04 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.731 -0.747 . . . . 73.31 112.508 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 9.7 m0 -92.3 45.28 1.2 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.81 0.338 . . . . 75.13 110.936 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 70.54 32.61 67.63 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.723 -0.751 . . . . 63.21 112.5 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -116.71 119.39 35.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.941 0.401 . . . . 74.04 110.882 -179.717 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.87 135.64 46.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 74.24 110.906 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 71.2 m -65.79 142.09 58.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.274 -0.421 . . . . 73.15 110.904 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 34.9 m -60.65 169.21 1.89 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 73.43 110.885 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -55.4 127.77 31.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 74.51 110.858 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 98.97 -23.22 37.3 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.773 -0.727 . . . . 74.4 112.484 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 12.7 mt -102.52 160.43 14.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.799 0.333 . . . . 74.33 110.893 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -152.21 161.17 43.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 74.5 110.83 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -116.54 132.81 23.15 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.629 0.728 . . . . 75.34 110.925 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 166.9 26.06 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.704 2.269 . . . . 74.13 112.36 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 93.6 mt -97.04 95.43 7.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 74.54 110.885 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -159.94 -174.62 4.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 61.2 111.095 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -52.42 -65.94 0.47 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 72.43 110.895 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.6 mp -127.03 82.84 67.39 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.644 0.735 . . . . 74.44 111.147 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 169.7 18.27 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.702 2.268 . . . . 74.2 112.311 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -143.59 132.02 22.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 73.12 110.911 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 55.5 m -51.52 136.8 25.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 61.25 110.862 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -157.07 147.27 21.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 74.53 110.878 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 27.4 mmtp -51.1 118.94 3.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 72.31 110.898 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 29.6 t80 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 74.24 110.892 -179.936 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.9 p . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.859 0.362 . . . . 54.35 110.853 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -97.78 121.03 39.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 70.4 111.05 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.65 175.0 1.55 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 74.05 110.868 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 71.3 tt0 -66.0 128.73 37.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 70.34 110.902 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.6 -28.65 9.68 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.757 -0.735 . . . . 64.21 112.516 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -67.42 161.0 26.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.928 0.394 . . . . 72.11 110.85 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 39.7 t -78.08 148.01 6.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 73.2 111.111 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 24.9 p -119.27 139.76 51.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 72.21 110.881 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 84.7 p -137.33 -172.67 3.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 74.01 110.86 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 67.9 p-90 -61.99 -38.49 88.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.153 -0.476 . . . . 74.14 110.924 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -89.65 -24.86 29.33 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.74 . . . . 74.34 112.439 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.51 108.63 19.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.858 0.361 . . . . 74.0 110.911 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 45.5 mmtt -100.94 124.73 47.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 73.35 110.875 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.7 t -51.92 137.75 25.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 71.22 110.929 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 53.3 m -56.91 -35.89 69.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 73.11 110.88 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -119.38 77.37 1.2 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 73.12 110.901 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 85.8 mt -67.45 -34.37 77.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 54.41 110.935 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -58.58 -35.7 72.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 73.43 110.8 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.2 m120 -93.03 -57.66 2.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.447 . . . . 71.32 110.865 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -94.52 144.63 25.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 75.44 110.876 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 10.3 p90 -128.68 176.12 8.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 74.21 110.933 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 91.4 m -108.96 88.55 5.63 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.575 0.702 . . . . 74.15 110.863 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 147.45 63.3 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.698 2.266 . . . . 73.42 112.332 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 33.9 mmt -73.37 102.86 3.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.256 -0.429 . . . . 74.21 110.914 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -163.46 176.41 9.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 75.04 110.881 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -51.68 -57.18 9.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 74.53 110.897 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.6 mp -124.0 102.09 34.88 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.627 0.727 . . . . 65.35 111.121 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 121.41 8.09 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.659 2.24 . . . . 74.1 112.31 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 29.8 m80 -114.72 158.78 21.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 74.24 110.868 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 34.5 m -88.0 80.18 7.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 73.4 110.916 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 73.0 mttt -113.32 161.38 17.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 73.33 110.929 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 25.5 mtmt . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 74.1 110.877 179.877 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 22.7 p . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.891 0.377 . . . . 73.11 110.879 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -97.96 113.86 25.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 72.41 111.1 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -78.33 168.21 20.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 74.33 110.897 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 54.1 tt0 -51.91 126.56 18.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 73.43 110.895 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 105.22 -29.73 11.11 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.728 -0.749 . . . . 72.32 112.427 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -64.71 155.09 34.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.918 0.39 . . . . 71.41 110.88 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 23.9 t -89.95 149.41 4.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 74.32 111.128 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 29.5 m -116.99 149.7 39.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 70.33 110.88 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 141.45 -33.15 2.01 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.731 -0.747 . . . . 51.22 112.504 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 48.6 m95 -90.37 46.95 1.38 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.795 0.331 . . . . 74.25 110.925 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 63.51 32.87 85.61 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.765 -0.731 . . . . 63.43 112.479 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -116.73 116.7 28.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.963 0.411 . . . . 62.35 110.827 -179.739 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.04 145.62 25.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 74.33 110.914 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 95.4 m -65.67 147.66 53.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 75.43 110.911 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 43.0 m -64.5 170.87 3.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 73.44 110.848 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 9.4 t60 -56.77 125.73 23.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.177 -0.465 . . . . 72.23 110.852 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 90.51 18.81 47.35 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.749 -0.738 . . . . 75.21 112.509 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 40.5 mt -141.52 160.33 40.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.849 0.357 . . . . 75.43 110.918 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -153.39 159.42 42.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 75.13 110.857 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -116.23 133.85 22.88 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.588 0.709 . . . . 63.11 110.916 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 167.2 25.16 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.691 2.261 . . . . 72.23 112.343 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -96.86 95.34 7.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 74.23 110.952 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -160.41 -174.65 4.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 75.4 111.069 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -52.98 -66.14 0.44 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 64.22 110.862 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 27.3 mm -125.89 82.59 64.17 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.58 0.705 . . . . 71.15 111.126 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 169.79 18.1 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.704 2.269 . . . . 52.33 112.325 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -143.53 132.1 22.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 74.33 110.944 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 55.5 m -51.35 139.84 18.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 64.22 110.857 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 25.1 pt-20 -158.83 151.83 22.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 74.34 110.88 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -51.44 118.75 3.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 71.11 110.933 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 14.1 p90 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 75.12 110.899 -179.897 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 27.2 p . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.886 0.374 . . . . 73.13 110.895 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -95.84 130.83 42.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 71.32 111.131 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.83 164.92 11.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 74.21 110.88 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 55.8 tt0 -62.77 128.49 36.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 73.1 110.873 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.56 -28.76 10.26 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.72 -0.752 . . . . 60.23 112.456 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -69.67 160.99 30.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.959 0.409 . . . . 72.2 110.88 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 20.9 t -76.4 150.81 6.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.128 -0.487 . . . . 75.34 111.155 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 17.4 p -114.39 144.85 42.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 71.04 110.867 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 81.2 p -131.86 179.63 5.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 73.53 110.856 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 67.9 t90 -59.82 -41.23 90.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 75.52 110.919 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -86.96 -24.88 36.21 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.796 -0.716 . . . . 73.4 112.493 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -103.68 109.74 21.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.824 0.345 . . . . 74.42 110.881 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 26.5 mmtm -102.87 134.73 45.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 75.43 110.888 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.6 t -51.85 144.72 10.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 75.41 110.886 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 33.4 m -65.22 -35.92 82.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 62.35 110.884 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -124.78 83.2 2.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 71.2 110.85 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 65.9 mt -68.16 -35.27 77.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.175 -0.466 . . . . 73.42 110.922 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -58.0 -35.97 72.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 73.31 110.883 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 60.2 m-20 -92.26 -57.73 2.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 73.42 110.934 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -94.6 142.43 27.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 75.01 110.867 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 5.3 p90 -131.59 160.17 36.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 72.14 110.901 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 76.2 m -108.74 89.01 5.83 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.647 0.737 . . . . 70.45 110.864 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 163.15 39.36 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.633 2.222 . . . . 73.31 112.34 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 81.5 mmm -72.45 105.1 4.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 73.13 110.867 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -163.37 171.09 16.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 73.41 110.834 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -51.83 -57.04 10.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 74.34 110.85 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.406 ' HA ' ' HD2' ' A' ' 30' ' ' PRO . 3.8 mp -123.82 102.22 35.31 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.619 0.723 . . . . 73.2 111.129 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 29' ' ' ILE . 54.3 Cg_endo -69.75 123.0 9.67 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.658 2.239 . . . . 74.52 112.384 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 22.8 m80 -116.4 150.46 37.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 72.53 110.849 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 34.3 m -83.7 85.09 7.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 72.33 110.9 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.0 ptmt -119.59 147.1 44.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 74.14 110.906 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 18.8 mtpt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 74.23 110.894 179.873 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 17.8 p . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.829 0.347 . . . . 70.23 110.889 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.57 112.74 17.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 74.51 111.075 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.0 pttp -75.97 168.66 19.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 63.45 110.888 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.5 tm-20 -51.46 130.04 26.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 73.3 110.902 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 100.18 -29.73 11.6 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.807 -0.711 . . . . 74.12 112.472 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -63.14 154.84 29.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.882 0.372 . . . . 72.43 110.89 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.2 t -90.22 150.76 3.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 74.0 111.135 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 33.7 m -116.37 143.82 45.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 75.04 110.853 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 147.66 -34.02 1.27 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.685 -0.769 . . . . 74.0 112.468 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 23.9 m-90 -91.24 48.25 1.48 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.829 0.347 . . . . 74.44 110.92 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 64.57 32.71 85.1 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.732 -0.747 . . . . 72.22 112.466 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.48 121.33 44.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.95 0.405 . . . . 72.31 110.852 -179.768 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.1 mmtm -106.31 131.35 53.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 70.01 110.864 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 72.9 m -55.42 150.05 12.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 74.34 110.913 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 21.0 m -67.4 167.86 11.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 74.33 110.901 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 13.8 m80 -53.33 128.31 27.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 73.25 110.833 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 97.6 -23.34 36.34 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.742 -0.742 . . . . 75.44 112.425 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 13.8 mt -101.8 160.12 14.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.842 0.353 . . . . 73.12 110.917 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -151.63 159.2 44.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 64.55 110.938 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -115.74 131.03 23.89 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.608 0.718 . . . . 62.34 110.873 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 166.63 26.96 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.682 2.255 . . . . 64.23 112.361 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 8.8 mp -97.28 95.44 7.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 74.21 110.95 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -159.13 -174.66 4.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 73.42 111.088 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -52.08 -64.85 0.68 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 72.44 110.868 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 4.3 mp -128.8 82.83 67.88 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.614 0.721 . . . . 73.44 111.128 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 169.72 18.26 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.653 2.235 . . . . 65.31 112.343 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 42.4 m-85 -143.85 131.88 21.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 72.03 110.902 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 56.6 m -51.54 136.86 25.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.096 -0.502 . . . . 70.11 110.868 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -156.7 145.01 19.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.155 -0.475 . . . . 65.01 110.892 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 28.3 mmmt -51.78 119.0 3.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 72.42 110.854 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 27.3 t80 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 73.3 110.925 -179.974 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 17.8 p . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.792 0.329 . . . . 65.04 110.871 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -91.9 141.39 28.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 72.01 111.092 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 53.7 mtpt -65.19 172.89 2.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 75.21 110.908 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 74.9 tt0 -69.31 124.44 23.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.249 -0.432 . . . . 73.23 110.86 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.76 -28.74 9.6 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 42.23 112.473 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -63.06 147.26 51.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.879 0.371 . . . . 60.1 110.878 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 90.0 t -63.98 144.58 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 71.05 111.084 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 18.5 p -114.04 142.44 46.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 71.14 110.908 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 86.4 p -126.4 -170.05 2.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 73.53 110.888 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 69.9 p-90 -61.11 -35.94 78.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.148 -0.478 . . . . 74.33 110.893 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -96.63 -24.84 12.8 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.723 -0.751 . . . . 70.34 112.538 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.92 108.14 19.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.863 0.363 . . . . 74.53 110.9 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.1 mtpp -107.49 140.74 40.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 73.34 110.916 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 75.1 m -52.31 124.21 12.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 74.14 110.843 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -52.18 -38.8 58.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 71.11 110.904 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -105.54 95.46 5.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 70.25 110.835 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 66.3 mt -82.07 -36.77 27.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 71.52 110.908 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -61.22 -36.52 80.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 64.31 110.844 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 31.0 m120 -97.41 -58.48 2.0 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 73.54 110.91 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -95.29 169.19 10.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 73.2 110.842 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 2.8 p90 -164.89 176.85 8.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 74.3 110.895 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 70.8 m -108.32 88.68 5.12 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.665 0.745 . . . . 70.03 110.928 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 167.42 24.42 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.707 2.272 . . . . 74.44 112.324 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 54.3 mmm -86.2 105.7 16.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 74.4 110.946 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -163.28 170.74 17.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 74.44 110.93 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -51.97 -48.82 64.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 73.24 110.888 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.6 mt -123.73 102.13 35.69 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.574 0.702 . . . . 73.44 111.154 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 121.24 7.92 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.631 2.221 . . . . 70.32 112.349 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 34.3 m170 -112.37 177.59 4.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 75.32 110.869 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 53.0 m -113.01 58.88 0.65 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 51.43 110.912 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.1 ptpt -113.39 170.88 7.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 74.14 110.927 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.3 ttmm . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 74.42 110.914 179.826 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 9.0 p . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.785 0.326 . . . . 65.14 110.918 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -76.93 112.43 13.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 73.32 111.051 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 44.5 mtpt -76.1 167.53 21.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 74.23 110.845 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -51.61 128.47 23.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 74.13 110.895 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 103.05 -29.7 11.92 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.792 -0.718 . . . . 61.4 112.496 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -63.99 155.98 29.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.901 0.382 . . . . 65.22 110.906 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 22.1 t -91.51 149.61 4.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.163 -0.471 . . . . 74.15 111.138 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 28.4 m -116.27 142.94 46.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 73.03 110.839 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 152.25 -33.81 0.85 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.779 -0.724 . . . . 71.04 112.518 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 33.8 m95 -90.62 46.81 1.36 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.831 0.348 . . . . 74.24 110.916 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 63.54 32.63 84.82 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.716 -0.754 . . . . 74.23 112.528 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -116.83 118.07 31.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.905 0.383 . . . . 64.32 110.871 -179.723 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.53 156.14 16.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 73.53 110.889 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 77.6 m -77.18 149.94 35.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 74.51 110.905 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 30.7 m -64.0 169.13 4.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 64.24 110.913 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 17.3 t-80 -53.85 128.34 29.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 74.15 110.865 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 96.61 -23.15 36.51 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.74 -0.743 . . . . 71.04 112.488 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 22.6 mt -101.79 160.52 14.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.804 0.335 . . . . 75.33 110.92 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -154.21 160.76 42.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 73.44 110.861 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -115.69 132.02 23.37 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.6 0.714 . . . . 71.23 110.914 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 167.0 25.74 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.714 2.276 . . . . 72.51 112.328 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 57.5 mt -97.08 95.4 7.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 74.21 110.945 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -160.06 -174.53 4.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 75.33 111.086 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -52.42 -66.13 0.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 71.4 110.877 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 32.3 mm -126.84 82.88 66.78 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.655 0.741 . . . . 71.11 111.171 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 169.68 18.33 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.654 2.236 . . . . 64.54 112.38 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 45.4 m-85 -143.96 131.8 21.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 75.43 110.899 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 54.9 m -51.43 136.45 25.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 73.3 110.873 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -156.78 148.09 22.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 64.25 110.93 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 18.1 mmmt -51.39 118.8 3.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 74.45 110.903 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 29.3 t80 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 74.25 110.889 -179.934 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 17.4 p . . . . . 0 N--CA 1.457 -0.08 0 CA-C-O 120.84 0.353 . . . . 74.12 110.924 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -89.86 126.68 35.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 61.12 111.132 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 21.3 mmmt -64.09 175.36 1.26 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 73.33 110.927 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 54.1 tt0 -63.96 126.92 29.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.426 . . . . 74.22 110.871 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.76 -28.69 9.72 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.738 -0.744 . . . . 61.04 112.507 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 57.7 mm-40 -62.11 160.51 12.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.883 0.373 . . . . 64.43 110.866 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 90.4 t -83.89 144.64 9.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 73.44 111.106 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 18.2 p -111.19 142.42 43.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.467 . . . . 65.13 110.915 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 58.0 p -136.45 -169.97 2.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 55.21 110.849 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 6.5 t90 -62.48 -35.67 80.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.49 . . . . 75.42 110.883 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -96.2 -24.87 13.56 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.744 -0.741 . . . . 72.33 112.48 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.57 108.53 19.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.875 0.369 . . . . 74.14 110.847 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.5 mmmm -106.88 134.0 50.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 71.42 110.884 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -52.03 153.14 2.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 75.14 110.865 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -81.79 -36.03 28.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 73.15 110.883 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -109.11 59.75 0.6 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.198 -0.455 . . . . 62.32 110.889 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 64.9 mt -52.54 -34.88 52.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.44 . . . . 70.31 110.914 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -58.53 -34.51 71.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 71.41 110.913 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.7 m-80 -94.12 -60.93 1.62 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 74.04 110.895 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -94.8 153.16 17.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 74.44 110.888 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -136.16 176.84 8.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 75.1 110.949 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 86.6 m -108.32 88.86 5.27 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.633 0.73 . . . . 63.45 110.852 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 161.56 45.45 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.663 2.242 . . . . 63.55 112.353 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 11.8 ttm -83.42 104.37 13.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 73.35 110.89 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -163.11 170.53 17.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 74.3 110.935 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -52.03 -55.36 21.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.478 . . . . 73.24 110.826 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.4 mp -123.84 102.19 35.26 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.635 0.731 . . . . 61.41 111.125 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 149.45 67.03 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.703 2.269 . . . . 74.43 112.331 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 34.2 m80 -143.04 167.08 22.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 74.45 110.885 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 34.9 m -97.41 68.47 2.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 71.15 110.912 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.2 pttp -113.4 142.79 45.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 73.35 110.929 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.9 ttpt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 75.52 110.896 179.858 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 16.2 p . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.814 0.34 . . . . 74.22 110.869 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.99 112.74 10.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 72.35 111.139 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -76.5 168.45 20.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 65.02 110.887 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -51.5 129.05 24.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.243 -0.435 . . . . 71.32 110.906 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 101.33 -29.8 11.74 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.8 -0.714 . . . . 64.23 112.533 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -61.95 156.05 22.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.859 0.362 . . . . 73.51 110.885 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 39.7 t -90.7 148.38 4.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 74.54 111.13 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 26.7 m -116.49 155.37 28.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 73.04 110.883 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 138.07 -36.44 1.92 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.766 -0.731 . . . . 54.31 112.469 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 56.3 m95 -91.93 51.26 1.8 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.795 0.331 . . . . 74.31 110.896 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 63.45 32.72 85.1 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.725 -0.75 . . . . 75.24 112.472 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -110.07 116.76 32.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.929 0.395 . . . . 75.34 110.855 -179.72 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.3 mmmm -103.44 130.1 50.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 62.53 110.898 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 76.0 m -58.51 150.51 22.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.273 -0.421 . . . . 71.45 110.902 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 30.5 m -64.06 166.03 8.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 71.12 110.883 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 7.7 t-160 -51.9 127.33 20.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 74.42 110.854 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 97.92 -23.28 36.71 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.742 -0.742 . . . . 64.14 112.53 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.2 mt -101.56 160.31 14.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.817 0.341 . . . . 74.12 110.938 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -154.85 160.93 41.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.188 -0.46 . . . . 61.22 110.868 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -114.68 134.73 22.35 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.656 0.741 . . . . 74.41 110.852 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 167.61 23.87 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.713 2.275 . . . . 71.14 112.378 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 92.2 mt -97.01 95.19 7.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.429 . . . . 74.13 110.943 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -160.43 -174.37 4.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 73.21 111.101 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -53.22 -66.27 0.42 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 72.24 110.873 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 4.0 mp -125.44 82.5 62.84 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.6 0.715 . . . . 74.43 111.114 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 169.9 17.74 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.68 2.253 . . . . 72.52 112.361 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -144.11 133.24 22.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 64.11 110.867 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 55.4 m -51.32 141.23 15.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.108 -0.496 . . . . 72.4 110.893 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -161.6 143.26 11.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 75.21 110.865 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 68.9 mmtt -51.54 118.89 3.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 74.14 110.905 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 67.7 t80 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 71.41 110.951 -179.969 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 20.7 p . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.854 0.359 . . . . 71.44 110.874 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -104.94 125.69 51.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 74.11 111.077 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.7 mmmp? -58.09 161.95 3.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 63.13 110.888 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 64.2 tt0 -58.65 126.36 27.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 75.01 110.925 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.44 -28.72 11.18 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.713 -0.755 . . . . 72.41 112.465 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 48.3 mm-40 -72.6 143.63 48.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.892 0.377 . . . . 75.15 110.913 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.5 t -62.36 150.25 8.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 61.34 111.148 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 31.7 p -118.39 137.69 52.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 74.33 110.914 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 61.7 p -117.17 -172.98 2.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 74.45 110.835 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 27.9 t90 -60.23 -35.83 76.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 74.45 110.922 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -94.77 -24.85 16.5 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.743 -0.742 . . . . 61.43 112.475 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -103.72 110.67 22.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.881 0.372 . . . . 74.34 110.902 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.2 mmtm -107.5 146.66 31.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 74.43 110.885 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 87.9 m -53.03 129.31 30.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 65.22 110.874 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 62.2 m -52.15 -37.8 55.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 75.21 110.9 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -111.21 102.65 11.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 73.25 110.871 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 62.2 mt -84.34 -36.11 22.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 74.43 110.92 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -59.78 -38.24 81.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 74.02 110.872 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 53.0 m-80 -97.96 -58.45 1.98 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 73.54 110.911 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -94.65 170.12 9.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 74.41 110.899 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 17.4 p90 -170.89 176.58 4.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.162 -0.472 . . . . 73.45 110.936 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 68.6 m -109.23 85.18 3.26 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.64 0.733 . . . . 74.03 110.878 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 166.88 26.14 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.715 2.276 . . . . 75.42 112.33 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 12.2 ttm -80.71 105.64 12.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 71.03 110.887 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -163.14 170.58 17.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 74.42 110.905 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -51.96 -54.76 25.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 74.25 110.922 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.9 mp -123.83 102.29 35.2 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.603 0.716 . . . . 74.42 111.141 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 123.2 9.87 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.692 2.261 . . . . 73.21 112.364 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 32.5 m80 -116.11 162.55 17.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 74.1 110.877 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 63.7 m -101.05 45.54 0.97 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 75.04 110.837 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.2 tppt? -113.31 130.88 56.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 75.42 110.907 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.8 ptmt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 73.12 110.917 179.845 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 17.6 p . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.88 0.371 . . . . 61.24 110.876 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -87.01 110.29 19.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 71.23 111.115 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.58 170.3 14.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 73.02 110.914 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -50.63 127.33 17.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 75.45 110.834 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 100.3 -28.27 16.55 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.765 -0.731 . . . . 75.24 112.496 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -63.92 148.28 49.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.87 0.367 . . . . 63.52 110.872 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 16.5 t -82.09 153.74 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 73.3 111.145 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 9.7 m -115.29 178.35 4.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 60.41 110.889 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 92.42 -39.16 3.04 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.736 -0.745 . . . . 63.0 112.466 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 80.4 m95 -85.09 52.67 2.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.758 0.313 . . . . 72.33 110.945 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 63.06 28.9 72.87 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.75 -0.738 . . . . 72.05 112.533 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.15 116.61 27.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.93 0.395 . . . . 74.55 110.827 -179.693 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -107.19 124.19 49.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 74.33 110.874 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 70.7 m -51.31 137.46 23.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 75.02 110.918 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 59.2 m -51.27 162.19 0.35 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 74.13 110.853 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 15.3 t-80 -52.95 112.53 0.87 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 74.03 110.822 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 109.22 -23.2 23.54 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.724 -0.751 . . . . 73.31 112.481 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 26.0 mt -97.86 154.01 17.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.853 0.359 . . . . 73.2 110.878 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -157.49 152.85 26.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 74.41 110.892 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 4.3 p -118.22 152.72 50.99 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.688 0.756 . . . . 74.44 110.839 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 169.11 19.67 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.714 2.276 . . . . 72.22 112.338 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 22.5 mt -96.18 104.76 16.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.447 . . . . 74.51 110.908 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -165.69 -173.81 2.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.169 -0.469 . . . . 63.24 111.099 179.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -56.4 -67.07 0.33 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 73.42 110.859 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 18.9 mm -112.6 80.32 3.61 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.63 0.729 . . . . 75.34 111.124 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 163.69 37.29 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.671 2.247 . . . . 72.11 112.321 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -144.94 130.25 18.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 74.54 110.945 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 68.0 m -60.4 135.07 57.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 74.32 110.892 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -145.19 155.43 43.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 74.34 110.869 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 50.2 mmtt -51.54 118.59 3.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 73.12 110.866 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 3.1 t80 . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.245 -0.434 . . . . 71.45 110.881 -179.931 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 28.9 p . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.877 0.37 . . . . 71.53 110.872 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -102.15 131.31 48.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 74.53 111.109 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.77 168.47 1.22 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 74.33 110.929 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 59.6 tt0 -68.25 123.26 20.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 74.44 110.892 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.99 -28.74 14.51 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.703 -0.76 . . . . 62.23 112.444 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -71.27 160.87 32.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.886 0.374 . . . . 75.3 110.897 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 t -73.28 149.91 8.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 72.14 111.175 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 20.2 p -122.78 143.24 49.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 73.43 110.861 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.9 p -129.01 -174.75 3.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 73.33 110.876 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 20.8 t90 -57.59 -38.49 74.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 74.23 110.902 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -92.87 -24.77 22.12 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.749 -0.739 . . . . 74.44 112.504 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.51 106.78 17.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.827 0.346 . . . . 74.22 110.902 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.34 145.81 32.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 75.32 110.904 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 73.7 m -55.8 135.34 51.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 63.15 110.882 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 63.3 m -52.43 -36.23 53.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 72.4 110.893 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -115.25 103.63 11.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 73.21 110.902 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 56.8 mt -81.88 -36.26 28.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 74.54 110.909 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -62.14 -36.27 81.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.199 -0.455 . . . . 73.23 110.834 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -97.03 -56.51 2.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 74.32 110.89 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -95.64 163.24 13.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 73.32 110.895 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 9.8 p90 -161.09 176.62 11.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 73.4 110.925 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 82.9 m -108.75 87.49 4.48 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.65 0.738 . . . . 65.24 110.927 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 165.48 30.8 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.688 2.259 . . . . 74.23 112.35 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 12.3 mtp -85.94 105.75 16.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 74.52 110.903 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -163.29 175.45 10.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 73.52 110.875 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -52.09 -56.92 11.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 75.33 110.846 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.9 mp -123.79 102.15 35.49 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.597 0.713 . . . . 74.13 111.14 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 121.28 7.99 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.697 2.265 . . . . 74.33 112.336 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 31.1 m80 -113.67 168.14 10.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 71.23 110.861 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 47.1 m -100.03 64.32 1.22 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 63.13 110.894 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.3 tppt? -113.41 160.14 18.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 73.42 110.928 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.2 ptpt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 74.31 110.895 179.869 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 17.6 p . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.815 0.341 . . . . 75.22 110.9 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -77.74 110.5 12.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 54.41 111.118 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.4 167.57 20.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 73.13 110.873 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -51.88 127.89 22.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 74.13 110.919 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 103.04 -30.04 11.23 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.749 -0.739 . . . . 63.43 112.474 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -62.38 154.8 27.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.924 0.392 . . . . 65.51 110.876 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 22.0 t -90.18 149.69 3.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 65.31 111.139 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 29.1 m -116.56 146.65 42.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 65.31 110.929 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 152.77 -33.49 0.81 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.718 -0.753 . . . . 75.14 112.48 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 77.3 m95 -91.41 45.98 1.27 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.802 0.334 . . . . 74.25 110.909 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 64.12 32.68 85.01 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.797 -0.716 . . . . 42.53 112.478 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -108.8 116.6 32.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.906 0.384 . . . . 75.0 110.899 -179.766 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.8 mmmm -98.78 131.4 44.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 75.13 110.922 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 73.7 m -54.55 153.38 5.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 74.41 110.901 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 20.4 m -67.77 167.22 13.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.472 . . . . 74.22 110.849 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 6.1 p-80 -51.93 128.63 24.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 73.45 110.875 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 95.55 -23.46 33.76 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.679 -0.772 . . . . 71.43 112.498 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 23.4 mt -100.53 160.15 14.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.809 0.337 . . . . 74.04 110.902 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -152.73 158.65 42.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 75.1 110.849 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -115.22 130.84 23.92 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.589 0.709 . . . . 71.52 110.862 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 166.95 25.83 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.653 2.235 . . . . 74.41 112.338 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -97.01 95.41 7.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 73.14 110.906 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -159.73 -175.16 4.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 62.13 111.117 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -52.73 -64.74 0.72 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 74.5 110.871 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 4.1 mp -127.72 82.65 67.94 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.629 0.728 . . . . 75.43 111.147 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 169.66 18.48 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.653 2.235 . . . . 72.53 112.329 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 42.4 m-85 -143.46 130.76 20.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 73.33 110.968 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 55.6 m -51.75 136.32 27.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 55.31 110.877 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -156.23 146.54 21.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 73.31 110.929 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 8.2 mmmm -51.3 119.21 3.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.174 -0.466 . . . . 72.33 110.898 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 61.5 t80 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 74.43 110.887 -179.919 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 31.8 p . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.857 0.361 . . . . 73.15 110.884 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -83.72 122.28 28.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 64.41 111.11 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.7 mmmt -58.68 169.35 0.97 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 74.13 110.929 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 53.5 tt0 -59.2 118.43 5.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 64.52 110.89 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.05 -28.73 9.88 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.759 -0.734 . . . . 73.33 112.449 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -62.41 144.51 55.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.913 0.387 . . . . 74.34 110.887 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.9 t -63.0 145.08 13.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 72.54 111.115 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 20.0 p -121.07 137.49 54.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.467 . . . . 74.21 110.9 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 86.1 p -120.96 -172.65 2.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 74.14 110.876 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 68.4 t90 -57.19 -36.85 71.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 73.53 110.901 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -94.01 -24.88 18.63 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.768 -0.73 . . . . 73.2 112.527 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.73 106.52 17.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.782 0.325 . . . . 75.34 110.884 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? -107.45 145.55 32.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.265 -0.425 . . . . 75.52 110.914 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 68.4 m -56.94 130.81 47.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 74.4 110.919 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -52.14 -40.46 61.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 71.3 110.884 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -110.74 98.05 7.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 75.0 110.866 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 58.7 mt -76.69 -35.14 58.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 75.44 110.886 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -59.72 -35.7 75.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 72.13 110.834 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -96.64 -59.83 1.73 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 72.41 110.894 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -94.64 162.52 13.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 71.14 110.904 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 4.3 p90 -163.67 165.19 23.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.187 -0.461 . . . . 73.44 110.936 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 27.3 m -108.39 89.75 6.29 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.621 0.724 . . . . 74.2 110.859 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 165.42 31.11 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.615 2.21 . . . . 73.12 112.358 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 30.9 ttm -73.3 106.04 4.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 73.12 110.921 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -163.34 173.39 13.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.26 -0.427 . . . . 73.22 110.85 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -51.87 -57.03 10.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 74.31 110.894 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.4 mp -123.93 102.1 35.06 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.595 0.712 . . . . 64.1 111.107 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 121.75 8.43 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.67 2.246 . . . . 73.32 112.331 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 22.4 m80 -115.02 177.81 4.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 71.05 110.878 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 63.5 m -104.06 72.13 1.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 75.42 110.922 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 31.4 ttmt -113.36 137.21 51.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 71.05 110.894 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 16.9 ttmt . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 72.04 110.925 179.822 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 12.5 p . . . . . 0 N--CA 1.458 -0.068 0 CA-C-O 120.83 0.348 . . . . 65.31 110.898 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -76.52 112.15 12.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 61.51 111.088 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.4 pttp -75.37 167.55 21.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 74.11 110.867 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -51.71 128.9 24.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 73.34 110.916 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 102.53 -29.88 11.57 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.775 -0.726 . . . . 70.35 112.497 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -63.98 155.37 31.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.917 0.389 . . . . 72.31 110.856 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.6 t -90.93 150.31 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 73.01 111.129 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 33.1 m -116.16 144.59 43.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 64.1 110.837 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 153.42 -33.62 0.77 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.713 -0.756 . . . . 55.14 112.469 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 71.1 m95 -91.58 45.81 1.25 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.791 0.329 . . . . 73.23 110.925 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 64.52 32.62 84.8 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.729 -0.748 . . . . 73.15 112.491 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -109.83 116.74 32.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.9 0.381 . . . . 74.41 110.891 -179.742 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.9 mmmm -99.32 134.07 42.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 62.05 110.862 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 72.0 m -57.51 151.58 16.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 65.55 110.897 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 28.1 m -66.36 170.1 6.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 64.3 110.893 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 8.1 t-160 -55.06 127.87 31.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 72.32 110.86 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 97.11 -23.29 36.38 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.763 -0.732 . . . . 51.25 112.477 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 28.9 mt -100.65 160.4 14.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.771 0.32 . . . . 73.32 110.952 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -151.37 160.87 43.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.443 . . . . 74.23 110.88 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -119.28 129.03 25.61 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.603 0.716 . . . . 74.2 110.871 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 166.48 27.42 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.712 2.275 . . . . 62.03 112.333 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 8.8 mp -97.46 95.31 7.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 72.42 110.939 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -158.45 -174.63 4.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 73.33 111.107 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -51.79 -64.31 0.85 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 74.41 110.891 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 4.1 mp -129.99 83.11 64.61 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.626 0.727 . . . . 75.51 111.115 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 169.65 18.43 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.673 2.249 . . . . 64.34 112.331 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 41.5 m-85 -143.67 131.06 20.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 74.25 110.932 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 56.1 m -51.7 135.57 28.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.07 -0.513 . . . . 73.34 110.917 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 20.6 pt-20 -155.49 148.63 24.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 74.45 110.854 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 30.3 mmtp -51.81 118.96 3.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 75.12 110.913 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 6.5 t80 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 73.54 110.871 -179.891 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 21.1 p . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.847 0.356 . . . . 73.43 110.891 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -93.32 136.79 33.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 74.1 111.137 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.8 ttmt -59.98 171.97 0.86 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.268 -0.424 . . . . 73.34 110.95 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 65.4 tt0 -62.8 117.67 6.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 75.04 110.892 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.76 -28.66 10.73 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.774 -0.727 . . . . 71.33 112.482 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -55.05 160.68 1.96 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.887 0.375 . . . . 72.24 110.854 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.6 t -74.94 150.16 7.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.49 . . . . 61.32 111.13 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.1 p -121.12 142.15 50.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 72.42 110.876 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 77.5 p -128.76 -173.62 3.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 62.32 110.886 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 68.9 p-90 -59.58 -35.74 74.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 73.43 110.887 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -95.79 -24.86 14.34 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.764 -0.732 . . . . 35.55 112.481 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.5 tppt? -103.64 113.55 27.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.857 0.361 . . . . 64.52 110.892 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.41 164.53 12.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 75.12 110.95 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 51.2 m -86.41 122.2 30.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.433 . . . . 75.11 110.93 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -52.14 -36.24 50.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 75.51 110.91 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -102.88 88.72 3.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 72.3 110.871 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 63.3 mt -80.5 -36.07 33.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 75.35 110.91 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -63.83 -36.08 82.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 74.22 110.877 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -95.03 -58.82 2.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 73.14 110.862 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -94.77 168.02 11.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 73.44 110.872 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -157.72 176.73 12.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.197 -0.456 . . . . 74.21 110.957 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 63.5 m -108.46 88.73 5.29 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.64 0.733 . . . . 64.12 110.886 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 143.28 50.68 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.673 2.249 . . . . 73.01 112.358 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -74.45 104.43 5.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 73.23 110.844 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -163.38 177.17 9.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 74.41 110.874 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -52.01 -57.03 10.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.473 . . . . 73.52 110.866 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.9 mp -123.82 102.13 35.4 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.601 0.715 . . . . 74.44 111.16 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 146.99 62.04 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.689 2.259 . . . . 72.2 112.358 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 36.3 m80 -142.31 139.89 31.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.26 -0.427 . . . . 73.43 110.861 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 80.5 m -76.67 67.11 2.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 71.23 110.871 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.6 ptpt -115.78 169.92 8.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 75.22 110.876 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.2 mmmt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 74.23 110.857 179.891 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 20.3 p . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.856 0.36 . . . . 72.44 110.885 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.0 111.58 15.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 74.44 111.119 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 25.4 mmtp -74.96 169.13 18.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 73.31 110.873 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -51.79 129.37 26.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 73.04 110.886 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 101.12 -29.98 11.36 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.695 -0.764 . . . . 71.34 112.479 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -62.74 155.1 27.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.946 0.403 . . . . 72.55 110.851 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.2 t -92.18 150.55 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 73.35 111.103 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 28.0 m -116.12 144.15 44.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 64.53 110.85 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 155.02 -33.37 0.66 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.692 -0.766 . . . . 63.55 112.462 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 76.8 m95 -91.68 46.08 1.26 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.804 0.335 . . . . 64.53 110.95 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 63.62 32.77 85.3 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.779 -0.724 . . . . 64.11 112.481 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -110.12 117.3 33.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.911 0.386 . . . . 74.13 110.863 -179.762 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.8 mmmm -98.64 136.41 38.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 73.14 110.906 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 73.0 m -58.78 152.52 18.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 73.13 110.908 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 19.5 m -68.26 168.81 11.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 62.01 110.919 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 36.3 m80 -54.27 126.73 24.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 74.41 110.884 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 98.97 -23.27 37.09 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.736 -0.745 . . . . 74.31 112.496 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 17.0 mt -101.6 160.27 14.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.807 0.337 . . . . 73.11 110.93 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -150.16 159.06 44.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 75.53 110.908 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -118.39 127.9 26.3 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.622 0.725 . . . . 72.2 110.831 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 166.59 27.09 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.699 2.266 . . . . 75.51 112.35 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 54.5 mt -97.56 95.33 7.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 72.14 110.882 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -157.71 -174.77 5.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 75.34 111.091 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -51.85 -62.9 1.34 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 71.41 110.867 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 4.1 mp -131.8 83.08 58.45 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.714 0.769 . . . . 74.42 111.15 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 169.74 18.18 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.714 2.276 . . . . 73.53 112.303 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 45.2 m-85 -143.66 130.77 20.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 71.14 110.926 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 56.5 m -51.73 135.2 29.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 72.22 110.887 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -155.05 147.19 23.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 54.43 110.87 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.9 mmmm -51.59 118.94 3.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 65.33 110.922 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 6.3 t80 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 73.44 110.94 -179.95 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 17.7 p . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.889 0.376 . . . . 61.33 110.861 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -104.36 126.77 51.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 72.34 111.122 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.5 mtmt -58.18 168.96 0.9 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 73.13 110.882 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 77.1 tt0 -64.34 140.5 58.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 74.11 110.934 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.55 -28.64 9.65 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.752 -0.737 . . . . 74.54 112.438 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -77.25 161.05 28.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.916 0.388 . . . . 65.24 110.9 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.1 t -82.47 150.84 4.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.113 -0.494 . . . . 63.04 111.161 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 17.4 p -108.43 142.64 38.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 75.4 110.915 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 66.2 p -121.47 -170.08 1.97 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 74.45 110.827 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 19.9 t90 -68.28 -38.27 81.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.48 . . . . 75.12 110.912 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -94.99 -24.98 15.52 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.755 -0.736 . . . . 64.51 112.47 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.8 ttpt -103.78 113.53 27.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.832 0.349 . . . . 75.11 110.913 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.38 169.34 8.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 73.4 110.9 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.7 t -76.94 142.2 40.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 65.1 110.853 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 22.6 m -67.28 -36.12 80.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 75.04 110.878 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -116.76 73.34 0.86 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 75.0 110.868 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 86.3 mt -65.09 -31.72 73.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 71.31 110.864 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -59.21 -34.41 72.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.439 . . . . 74.55 110.818 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -97.77 -59.19 1.82 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.441 . . . . 75.11 110.927 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -94.34 160.99 14.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 70.45 110.898 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 8.5 p90 -152.09 175.11 12.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 73.51 110.902 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 84.9 m -108.85 88.2 5.21 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.628 0.728 . . . . 74.32 110.851 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 156.31 63.61 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.663 2.242 . . . . 73.41 112.336 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 24.0 mmt -65.61 101.59 0.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 73.53 110.899 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -163.41 168.63 20.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 73.53 110.893 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -51.7 -57.08 10.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 74.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.8 mp -124.03 101.96 34.91 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.58 0.705 . . . . 75.14 111.157 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 120.84 7.56 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.661 2.241 . . . . 75.21 112.359 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 26.7 m80 -113.53 147.27 38.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 73.2 110.863 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 33.8 m -74.76 73.26 2.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 73.43 110.9 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt -113.37 148.39 35.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 75.1 110.927 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.3 ttpt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 72.42 110.913 179.881 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 17.3 p . . . . . 0 N--CA 1.458 -0.073 0 CA-C-O 120.812 0.339 . . . . 73.51 110.887 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -83.32 112.74 20.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 72.44 111.102 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 33.4 mtmm -76.42 165.39 24.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 70.13 110.885 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.5 tm-20 -50.23 122.76 7.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 74.43 110.876 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 109.6 -29.65 9.26 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.708 -0.758 . . . . 61.44 112.502 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -64.27 148.95 49.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.902 0.382 . . . . 70.31 110.848 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 24.1 t -82.35 149.43 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 72.24 111.17 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 14.4 m -122.42 151.74 40.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 70.41 110.917 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 144.18 -59.12 0.52 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.721 -0.752 . . . . 75.1 112.492 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 6.0 m-90 -77.03 61.44 2.0 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.777 0.322 . . . . 73.5 110.908 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 63.37 32.66 84.91 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.762 -0.732 . . . . 73.03 112.503 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -115.91 126.68 54.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.983 0.421 . . . . 74.43 110.874 -179.771 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.56 158.15 27.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 75.05 110.896 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 67.4 m -84.26 159.67 20.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 74.23 110.904 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 17.8 m -69.46 169.96 11.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 75.13 110.868 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 13.9 p80 -56.8 116.83 3.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 72.4 110.889 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 109.37 -23.44 22.69 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.724 -0.75 . . . . 64.32 112.45 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.6 mt -102.4 157.67 16.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.842 0.353 . . . . 64.12 110.942 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -148.45 162.31 39.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 73.02 110.904 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -115.02 140.23 25.31 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.607 0.718 . . . . 61.22 110.896 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 167.85 23.24 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.652 2.235 . . . . 74.3 112.352 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 82.0 mt -96.6 95.2 7.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 75.44 110.889 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -163.47 -174.73 3.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 73.2 111.108 179.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -56.37 -66.43 0.44 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 72.14 110.896 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.5 mp -119.37 82.03 23.52 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.666 0.746 . . . . 74.32 111.125 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 170.08 17.39 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.671 2.247 . . . . 71.4 112.368 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -143.88 130.91 20.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 74.42 110.903 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 55.5 m -51.26 142.56 12.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 45.3 110.848 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -160.84 147.24 15.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 71.21 110.847 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 66.3 mmtt -50.99 118.76 3.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 73.32 110.936 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 2.3 t80 . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.219 -0.446 . . . . 75.32 110.917 -179.97 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 27.5 p . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.911 0.386 . . . . 75.44 110.853 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -97.52 147.35 24.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 73.24 111.083 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.33 175.37 10.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 71.54 110.915 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 52.0 tt0 -63.92 129.91 41.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 72.32 110.937 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.51 -28.68 9.52 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.694 -0.765 . . . . 63.23 112.492 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -66.28 159.19 27.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.924 0.392 . . . . 40.01 110.878 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 23.3 t -79.63 149.61 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 75.45 111.121 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 17.2 p -113.11 143.09 44.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 70.4 110.845 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 61.9 p -135.63 177.89 7.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 73.1 110.894 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 66.4 p-90 -55.63 -35.26 65.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.182 -0.463 . . . . 75.21 110.866 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -95.85 -24.87 14.2 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.749 -0.738 . . . . 54.21 112.467 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.69 106.68 17.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.859 0.361 . . . . 72.31 110.904 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -106.93 133.3 51.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 74.44 110.864 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -52.18 140.22 21.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 52.44 110.873 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 41.2 m -57.78 -35.53 70.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 64.24 110.915 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -117.8 79.14 1.32 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 63.51 110.87 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 95.9 mt -71.61 -34.3 69.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 73.35 110.935 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -57.82 -35.56 71.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 70.41 110.851 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -92.85 -58.27 2.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 73.55 110.887 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -94.45 144.17 25.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 74.53 110.889 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 6.6 p90 -128.49 176.01 8.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 73.03 110.871 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 89.3 m -114.7 91.54 25.91 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.632 0.73 . . . . 74.31 110.854 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 145.69 58.17 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.705 2.27 . . . . 72.23 112.361 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 5.8 tpt -65.04 107.25 1.46 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 72.13 110.903 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -163.63 172.45 14.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.2 -0.454 . . . . 73.53 110.891 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -51.21 -57.4 8.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 74.13 110.844 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.9 mp -124.16 102.18 34.25 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.644 0.735 . . . . 73.41 111.141 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 126.79 13.72 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.688 2.258 . . . . 74.43 112.344 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 26.1 m80 -122.04 156.36 33.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 71.44 110.876 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 34.1 m -87.21 71.33 10.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 70.21 110.879 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.2 ttmt -115.02 130.8 57.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 75.42 110.957 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 24.8 ttmt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 74.4 110.891 179.887 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 21.3 p . . . . . 0 N--CA 1.457 -0.088 0 CA-C-O 120.856 0.36 . . . . 71.14 110.867 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -77.81 112.8 15.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 74.24 111.132 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.5 ptmt -76.4 167.19 22.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 73.53 110.899 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 63.1 tt0 -51.59 128.2 22.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 70.12 110.867 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 103.26 -29.8 11.66 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.736 -0.745 . . . . 64.44 112.482 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -64.27 155.7 31.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.861 0.362 . . . . 71.1 110.916 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.8 t -90.54 149.93 3.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 74.12 111.124 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 34.3 m -116.35 143.81 45.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 74.13 110.861 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 151.97 -33.66 0.87 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.757 -0.735 . . . . 73.11 112.493 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 86.1 m95 -90.84 46.92 1.36 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.781 0.324 . . . . 72.02 110.892 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 64.07 32.66 84.94 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.739 -0.744 . . . . 64.04 112.442 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.65 119.54 39.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.889 0.376 . . . . 74.01 110.874 -179.755 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.5 mmmm -102.55 135.63 43.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.467 . . . . 75.31 110.905 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 72.0 m -58.85 152.61 18.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 74.52 110.82 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 20.2 m -68.16 167.18 14.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 73.1 110.867 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 41.0 m80 -51.85 128.84 25.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.463 . . . . 72.34 110.88 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 96.14 -23.19 35.75 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.774 -0.727 . . . . 71.22 112.502 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 20.1 mt -102.22 160.45 14.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.801 0.334 . . . . 75.11 110.932 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -153.48 159.97 42.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 73.42 110.843 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -116.21 131.5 23.76 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.654 0.74 . . . . 63.23 110.854 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 167.01 25.78 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.631 2.221 . . . . 75.04 112.35 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -97.18 95.35 7.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 62.22 110.944 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -159.59 -174.49 4.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 74.31 111.127 179.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -52.19 -65.77 0.5 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 71.11 110.885 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 4.0 mp -127.75 83.0 67.27 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.631 0.729 . . . . 75.24 111.131 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 169.8 17.98 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.659 2.239 . . . . 75.13 112.389 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -143.79 131.24 21.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 71.12 110.926 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 56.0 m -51.43 137.01 24.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 75.34 110.871 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -157.18 146.55 20.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.485 . . . . 72.5 110.885 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.9 mmmp? -51.62 118.8 3.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 74.13 110.923 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 18.4 t80 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 74.44 110.973 -179.943 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 30.3 p . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.838 0.351 . . . . 72.54 110.851 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -99.47 114.4 27.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 64.23 111.108 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.9 tttm -58.2 173.88 0.32 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 74.21 110.884 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 70.8 tt0 -58.54 125.27 22.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 64.24 110.895 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.72 -28.8 9.44 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.709 -0.758 . . . . 73.04 112.467 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -59.54 161.03 6.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.838 0.351 . . . . 64.1 110.937 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 90.5 t -79.18 144.34 11.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 72.32 111.144 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 22.7 p -117.78 137.63 52.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 74.23 110.886 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 93.7 p -140.45 -170.03 2.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 61.51 110.845 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 69.9 p-90 -64.19 -35.53 81.1 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.105 -0.498 . . . . 74.25 110.925 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -93.02 -24.88 21.47 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.687 -0.768 . . . . 60.24 112.481 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.0 tppt? -103.76 114.05 28.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.861 0.362 . . . . 73.45 110.889 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.23 129.84 48.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 72.35 110.873 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.6 t -58.04 136.34 57.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 73.35 110.92 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 40.5 m -58.16 -36.06 72.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 75.34 110.91 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -120.15 77.22 1.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 72.52 110.869 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 82.7 mt -67.19 -34.7 78.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 74.43 110.96 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -58.37 -35.91 72.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 75.15 110.877 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.6 m-80 -92.79 -58.61 2.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 74.2 110.861 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -94.49 146.08 24.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 71.54 110.853 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 19.7 p90 -124.35 170.8 10.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.488 . . . . 74.32 110.924 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -109.15 87.41 4.8 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.61 0.719 . . . . 72.2 110.903 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 167.2 25.11 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.706 2.271 . . . . 72.11 112.32 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 4.8 tpt -95.7 106.64 18.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 74.21 110.902 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -163.39 177.2 9.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 54.21 110.875 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -51.59 -57.03 10.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 75.35 110.857 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.4 mp -123.92 102.29 34.9 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.618 0.723 . . . . 72.31 111.115 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 138.84 38.79 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.673 2.249 . . . . 73.41 112.369 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 35.6 m80 -134.82 165.79 24.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 73.24 110.849 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 34.1 m -100.39 81.08 2.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 74.42 110.905 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 43.4 mmtt -113.33 145.94 40.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.458 . . . . 74.34 110.93 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.3 ptpt . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 74.22 110.873 179.881 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 18.0 p . . . . . 0 N--CA 1.457 -0.085 0 CA-C-O 120.858 0.361 . . . . 73.42 110.878 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.01 112.67 17.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 74.41 111.095 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.6 ptmm? -76.55 168.89 19.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 72.53 110.867 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -51.71 125.8 15.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 75.2 110.923 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 104.7 -29.65 11.46 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.771 -0.728 . . . . 74.54 112.505 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -63.12 153.87 32.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.878 0.371 . . . . 74.44 110.853 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 22.0 t -89.61 149.84 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 72.35 111.093 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 28.1 m -116.49 159.49 21.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 75.34 110.852 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 124.86 -33.32 3.75 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.729 -0.748 . . . . 71.13 112.489 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 43.5 m95 -98.3 56.21 1.16 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.723 0.297 . . . . 75.25 110.881 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 63.71 32.78 85.31 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.728 -0.749 . . . . 63.3 112.451 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -116.95 116.44 27.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.894 0.378 . . . . 73.12 110.824 -179.712 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -108.08 130.43 55.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 70.22 110.858 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 82.3 m -57.84 151.34 18.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 73.23 110.85 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 20.7 m -71.2 170.51 12.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 74.4 110.853 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.7 t-160 -55.16 125.01 18.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 74.24 110.886 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 100.05 -23.17 37.01 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.759 -0.734 . . . . 64.22 112.521 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 11.2 mt -99.56 160.49 14.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.759 0.314 . . . . 73.32 110.955 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -151.56 159.41 44.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.46 . . . . 71.45 110.848 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -117.2 131.5 23.98 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.61 0.719 . . . . 62.45 110.942 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 166.94 25.84 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.695 2.263 . . . . 73.01 112.326 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 8.8 mp -97.04 95.18 7.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 75.43 110.898 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -159.71 -174.72 4.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 75.53 111.094 179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 43.7 m-85 -52.38 -65.9 0.48 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 75.11 110.88 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 4.0 mp -127.03 82.92 67.23 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.659 0.742 . . . . 73.35 111.159 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 169.82 17.98 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.708 2.272 . . . . 74.42 112.318 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -143.32 132.21 22.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 72.12 110.916 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 55.7 m -51.64 140.2 19.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 64.43 110.897 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -158.48 141.63 14.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 72.13 110.927 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 24.8 mmtp -51.27 118.97 3.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.454 . . . . 73.5 110.885 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 16.7 t80 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 74.24 110.913 -179.978 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 28.2 p . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.875 0.369 . . . . 73.04 110.869 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -105.56 119.28 38.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 74.43 111.084 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.84 174.98 0.22 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 73.44 110.933 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -70.27 137.24 50.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 74.32 110.885 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.64 -28.62 9.77 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.746 -0.74 . . . . 72.14 112.525 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -73.43 161.03 30.89 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.891 0.377 . . . . 71.03 110.878 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.4 t -78.13 150.17 5.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 73.04 111.117 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 20.4 p -112.4 143.17 43.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 72.15 110.868 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 66.8 p -134.68 -173.91 3.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 75.21 110.83 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 51.5 t90 -67.62 -40.47 84.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.131 -0.486 . . . . 70.01 110.898 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -86.62 -24.9 37.28 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.78 -0.724 . . . . 65.35 112.471 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.7 tppt? -103.59 114.24 28.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.8 0.333 . . . . 75.21 110.904 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? -105.6 127.65 53.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 73.3 110.886 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.9 t -51.63 141.28 16.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 62.3 110.897 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 37.6 m -59.68 -36.05 75.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 60.05 110.862 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -119.49 76.57 1.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 73.42 110.841 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 94.5 mt -67.45 -35.67 79.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.456 . . . . 75.4 110.906 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -57.74 -36.05 71.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 60.31 110.885 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.3 m-20 -91.92 -58.33 2.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 72.0 110.862 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -94.59 142.75 27.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 74.12 110.88 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 10.2 p90 -130.17 176.46 8.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.469 . . . . 71.33 110.899 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 85.1 m -108.77 87.85 4.82 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.612 0.72 . . . . 74.3 110.889 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 165.69 30.11 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.665 2.244 . . . . 73.41 112.354 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 33.8 mmt -82.45 103.01 11.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 73.03 110.856 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 21.2 pt-20 -163.35 172.13 15.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 71.43 110.857 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -51.95 -57.3 9.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 74.12 110.85 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.8 mp -123.88 102.14 35.19 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.617 0.722 . . . . 75.41 111.118 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 121.51 8.19 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.666 2.244 . . . . 75.13 112.373 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 23.6 m80 -114.59 157.73 22.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 73.3 110.86 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 34.6 m -84.89 75.63 10.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 63.4 110.876 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -113.4 147.19 38.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 64.32 110.915 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 75.23 110.9 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 18.1 p . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.861 0.362 . . . . 73.2 110.905 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.3 113.31 17.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 64.32 111.117 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -76.66 168.29 20.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 72.34 110.853 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -51.63 127.58 20.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 73.4 110.88 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 103.71 -29.92 11.27 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.688 -0.768 . . . . 73.42 112.473 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -63.85 154.93 32.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.916 0.388 . . . . 75.04 110.872 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.8 t -90.07 150.13 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 73.11 111.142 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 26.9 m -116.78 153.75 31.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 73.02 110.883 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 131.74 -33.34 2.75 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.73 -0.748 . . . . 64.21 112.456 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 11.8 m95 -97.36 55.69 1.29 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.871 0.367 . . . . 72.45 110.933 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 63.52 32.6 84.71 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.711 -0.757 . . . . 72.52 112.56 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.02 116.47 27.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.916 0.388 . . . . 73.42 110.857 -179.726 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -107.82 132.47 53.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 72.24 110.903 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 75.8 m -58.36 151.26 20.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 62.53 110.876 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 17.3 m -70.03 170.73 10.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 73.44 110.844 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 7.3 m170 -56.15 124.97 19.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 74.44 110.867 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 101.11 -23.39 35.65 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.7 -0.762 . . . . 73.25 112.458 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 13.1 mt -101.57 160.04 14.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.85 0.357 . . . . 74.5 110.86 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -150.36 160.9 43.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 74.55 110.832 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -117.29 132.07 23.71 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.607 0.718 . . . . 73.13 110.875 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 166.99 25.79 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.707 2.271 . . . . 74.43 112.329 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 8.8 mp -97.46 95.39 7.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 75.24 110.905 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -159.15 -174.63 4.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 73.02 111.079 179.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -52.92 -63.86 1.01 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 73.31 110.89 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 4.1 mp -128.97 82.74 68.12 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.657 0.741 . . . . 75.32 111.153 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.65 169.73 18.1 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.695 2.263 . . . . 74.44 112.396 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -143.45 132.13 22.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 63.24 110.916 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 54.9 m -51.6 136.48 26.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 64.21 110.882 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -156.23 145.87 20.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 72.21 110.885 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 22.1 mmtp -51.17 118.95 3.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 75.42 110.927 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 36.4 t80 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 74.33 110.906 -179.937 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.6 p . . . . . 0 C--O 1.23 0.047 0 CA-C-O 120.867 0.365 . . . . 74.1 110.856 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -74.94 135.66 41.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 73.23 111.104 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 16.4 mtmm -58.2 171.62 0.54 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 73.24 110.86 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 63.8 tt0 -64.21 121.87 15.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 74.32 110.847 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.65 -28.71 9.59 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.761 -0.733 . . . . 50.14 112.497 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -62.64 152.67 34.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.888 0.375 . . . . 65.42 110.928 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 58.6 t -66.19 142.51 16.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 74.14 111.163 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 8.8 p -120.55 137.45 54.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 73.11 110.859 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 89.4 p -111.86 -170.2 1.61 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 73.34 110.89 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 7.8 t90 -64.07 -37.52 87.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 74.35 110.91 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -91.69 -24.83 24.64 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.759 -0.734 . . . . 74.21 112.493 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.8 tttt -103.76 113.81 27.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.825 0.345 . . . . 73.52 110.897 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.6 164.21 12.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 73.42 110.851 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 59.6 m -73.45 132.75 43.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 73.32 110.896 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 79.4 m -52.1 -36.14 50.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 75.21 110.889 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 -112.56 97.05 6.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 74.31 110.882 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 70.8 mt -79.46 -35.87 39.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 73.22 110.915 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -59.18 -36.09 74.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 61.43 110.855 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 60.0 m-80 -98.83 -59.87 1.65 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 72.2 110.878 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -94.7 170.81 9.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 75.45 110.89 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 6.1 p90 -162.1 172.53 15.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 64.42 110.875 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -108.89 88.6 5.6 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.633 0.73 . . . . 73.44 110.918 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 159.84 51.93 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.668 2.245 . . . . 61.24 112.335 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 42.6 tpp -91.29 105.53 17.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 73.23 110.882 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -163.39 -178.7 6.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 75.14 110.903 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -51.39 -53.74 33.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 75.44 110.878 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.7 mp -123.92 102.1 35.12 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.6 0.714 . . . . 73.43 111.1 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 121.62 8.3 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.622 2.215 . . . . 70.42 112.333 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 34.3 m80 -115.02 169.13 9.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 75.14 110.848 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 34.6 m -107.2 63.45 0.63 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 63.32 110.882 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.32 168.0 10.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 75.22 110.926 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 34.3 mtmt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 71.44 110.895 179.89 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 26.4 p . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.813 0.339 . . . . 71.42 110.892 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.17 110.57 8.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 54.23 111.087 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.7 ptpp? -75.28 168.95 19.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 74.23 110.885 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 49.1 tt0 -52.01 127.39 21.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 74.44 110.852 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 103.99 -29.71 11.59 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.734 -0.746 . . . . 75.03 112.503 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -63.35 154.99 30.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.902 0.382 . . . . 73.11 110.885 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.7 t -92.49 149.35 4.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 74.44 111.113 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 20.5 m -116.39 142.22 47.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 64.02 110.875 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 164.8 -31.46 0.24 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.767 -0.73 . . . . 65.22 112.49 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 81.7 m95 -92.91 40.79 1.06 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.79 0.329 . . . . 75.02 110.937 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 63.46 32.9 85.72 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.717 -0.754 . . . . 70.32 112.545 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.1 m -106.5 116.14 31.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.973 0.416 . . . . 74.31 110.871 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.9 mtpt -82.56 157.44 23.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 73.41 110.874 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 69.8 m -80.94 141.84 34.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 72.2 110.897 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 89.3 m -51.6 167.14 0.11 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 75.12 110.897 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 13.3 m80 -55.96 127.01 28.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 71.5 110.876 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 87.43 18.89 56.28 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.76 -0.733 . . . . 74.41 112.493 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 32.5 mt -141.07 160.09 40.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.82 0.343 . . . . 74.33 110.937 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -153.35 162.28 41.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 74.02 110.835 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -116.26 131.04 24.01 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.627 0.727 . . . . 64.22 110.83 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 166.98 25.74 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.735 2.29 . . . . 74.33 112.342 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 15.9 mt -96.69 95.4 7.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 63.12 110.931 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -160.1 -174.73 4.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 64.13 111.118 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -52.59 -66.12 0.44 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 64.35 110.895 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.6 mp -126.62 82.8 66.22 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.601 0.715 . . . . 75.24 111.096 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 169.72 18.29 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.715 2.277 . . . . 74.31 112.345 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 38.5 m-85 -144.63 131.01 19.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 74.54 110.93 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 55.8 m -51.61 134.52 29.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.098 -0.501 . . . . 72.31 110.857 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.2 pt-20 -155.17 158.66 39.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 75.52 110.916 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 5.7 mmmm -51.47 118.77 3.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.131 -0.486 . . . . 75.23 110.883 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 11.6 t80 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.26 -0.427 . . . . 65.32 110.93 179.999 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.541 -0.224 . . . . 74.11 112.541 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 53.24 54.33 10.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.891 0.377 . . . . 75.11 110.866 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 29.6 p -165.66 151.64 9.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 75.34 110.827 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -83.6 132.7 34.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 73.24 111.062 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.8 mmmm -59.65 175.0 0.39 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 73.32 110.905 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 62.1 tt0 -69.18 123.64 21.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 74.43 110.902 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.78 -28.7 9.71 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.684 -0.77 . . . . 42.5 112.511 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -65.03 159.91 22.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.912 0.387 . . . . 75.42 110.862 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 t -72.63 150.01 8.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 74.32 111.126 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 17.6 p -122.31 142.79 50.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 72.3 110.877 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 91.6 p -123.74 -173.85 2.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 75.21 110.92 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 72.0 t90 -60.04 -38.94 84.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.175 -0.466 . . . . 71.54 110.898 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -92.76 -24.86 22.15 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.772 -0.727 . . . . 64.31 112.464 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.62 106.97 17.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.825 0.345 . . . . 74.3 110.888 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -105.81 144.97 31.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.292 -0.413 . . . . 73.54 110.905 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 61.1 m -52.18 132.43 33.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 64.15 110.871 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 66.9 m -52.18 -36.3 51.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 71.34 110.854 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -113.52 99.39 7.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.471 . . . . 71.02 110.884 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 46.6 mt -79.58 -36.54 38.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 75.41 110.897 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -61.94 -37.05 83.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 70.11 110.863 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -94.26 -58.65 2.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 73.15 110.902 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -97.53 162.01 13.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 73.23 110.896 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -153.09 176.83 11.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 75.43 110.914 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 98.2 m -108.36 88.67 5.15 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.607 0.717 . . . . 71.13 110.883 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 149.21 66.92 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.74 2.293 . . . . 74.21 112.378 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 27.9 ttm -79.93 104.61 10.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 72.34 110.909 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -163.3 -179.24 6.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 72.03 110.865 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -51.99 -55.92 17.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 74.52 110.879 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.9 mp -123.83 102.14 35.35 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.628 0.728 . . . . 75.44 111.105 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 121.45 8.14 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.678 2.252 . . . . 62.21 112.338 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 33.3 m80 -114.12 169.38 9.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 74.12 110.799 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 68.8 m -105.19 65.57 0.73 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 72.31 110.856 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.88 165.75 12.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 73.34 110.876 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.5 ttmt -58.5 160.28 5.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 75.53 110.886 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -52.01 155.78 1.75 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 73.44 110.899 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 33.4 mtmt -56.94 159.94 6.72 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.581 0.705 . . . . 74.44 110.913 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 165.95 29.3 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.724 2.283 . . . . 74.34 112.316 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 35.8 p90 -51.98 154.6 2.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.448 . . . . 75.33 110.907 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 58.2 t -70.25 133.33 87.54 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.655 0.74 . . . . 74.34 111.086 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 162.75 40.9 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.682 2.254 . . . . 74.33 112.344 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 38.9 t -51.73 148.1 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 75.32 111.17 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.2 t -51.82 141.57 16.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 64.3 111.171 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.6 166.74 5.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 75.01 111.18 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 22.8 t -89.15 166.15 14.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 65.44 110.873 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -67.92 139.2 56.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 73.5 110.848 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -175.74 157.56 2.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.495 . . . . 71.14 110.912 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 16.9 p -61.78 159.16 14.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 70.21 110.894 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.69 112.26 11.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 74.23 111.147 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -76.91 167.79 21.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 74.44 110.873 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 16.6 tm-20 -51.53 128.19 22.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 74.22 110.879 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 102.55 -29.81 11.72 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.721 -0.752 . . . . 73.35 112.494 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -63.28 154.8 30.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.928 0.394 . . . . 73.42 110.877 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 23.3 t -89.22 149.59 3.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.118 -0.492 . . . . 73.43 111.128 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 34.7 m -116.91 151.61 36.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.448 . . . . 74.12 110.897 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 141.54 -33.49 1.97 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.755 -0.736 . . . . 74.1 112.467 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 19.4 m-90 -94.57 51.48 1.43 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.882 0.372 . . . . 74.32 110.948 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 63.79 32.53 84.49 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.741 -0.742 . . . . 72.25 112.517 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.37 119.44 39.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.976 0.417 . . . . 74.03 110.844 -179.698 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -106.68 127.87 53.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 74.01 110.93 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 72.4 m -55.19 150.08 11.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 72.44 110.868 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 22.1 m -66.68 166.89 12.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 71.13 110.859 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 9.4 p80 -52.14 128.72 25.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 74.41 110.849 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 96.78 -23.27 36.17 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.779 -0.724 . . . . 71.13 112.49 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 13.2 mt -102.96 160.21 14.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.777 0.322 . . . . 74.14 110.929 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -153.18 161.47 42.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.462 . . . . 74.42 110.885 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -115.79 133.69 22.8 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.615 0.722 . . . . 74.13 110.901 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 167.26 25.04 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.703 2.269 . . . . 75.4 112.358 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -97.2 95.19 7.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 72.24 110.921 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -160.07 -174.58 4.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 63.2 111.143 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -52.91 -66.02 0.46 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 72.44 110.84 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.6 mp -126.2 82.71 65.0 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.59 0.71 . . . . 74.23 111.1 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 169.83 18.01 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.663 2.242 . . . . 74.41 112.303 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -143.85 131.29 21.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 75.54 110.95 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 54.3 m -51.2 137.38 22.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 70.11 110.899 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -157.89 147.16 19.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 75.31 110.843 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 27.1 mmtp -51.53 118.87 3.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 73.1 110.871 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -52.1 118.95 3.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 75.3 110.944 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 75.15 110.892 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.496 -0.242 . . . . 61.53 112.496 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -137.48 115.88 11.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.856 0.36 . . . . 74.41 110.864 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 28.0 p -171.93 169.46 5.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.466 . . . . 62.12 110.896 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -89.55 127.68 35.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 74.2 111.124 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 52.3 mtpt -65.26 171.15 4.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 73.32 110.912 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -63.01 121.74 14.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 75.52 110.9 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.75 -28.72 9.66 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.747 -0.739 . . . . 55.02 112.493 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -61.1 161.02 9.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.873 0.368 . . . . 74.35 110.92 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.3 t -75.81 150.51 6.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 64.31 111.113 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.3 p -116.82 142.16 47.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 64.12 110.884 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 97.7 p -137.38 -174.55 3.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 63.13 110.859 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 69.9 p-90 -63.12 -37.9 89.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.117 -0.492 . . . . 73.21 110.927 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -87.63 -24.81 34.67 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.707 -0.758 . . . . 72.03 112.487 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.63 108.9 20.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.869 0.366 . . . . 74.22 110.915 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 34.4 mttp -107.26 125.89 51.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 72.34 110.893 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -51.97 134.05 32.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 74.02 110.839 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -59.82 -35.97 75.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.094 -0.503 . . . . 74.41 110.904 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -118.62 78.68 1.29 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 71.23 110.849 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 57.2 mt -67.39 -35.25 78.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.45 . . . . 72.24 110.938 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -59.04 -35.86 74.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 75.25 110.851 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -90.81 -56.7 3.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 70.3 110.903 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -94.69 138.75 32.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 74.55 110.854 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 5.2 p90 -131.8 159.51 38.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 71.23 110.893 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 76.9 m -108.73 88.87 5.68 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.606 0.717 . . . . 74.41 110.862 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 165.24 31.63 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.691 2.261 . . . . 72.04 112.333 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 87.2 mmm -69.44 106.13 2.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 73.34 110.876 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -163.39 165.44 23.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 75.13 110.873 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -51.88 -56.37 14.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 74.34 110.891 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.41 ' HA ' ' HD2' ' A' ' 30' ' ' PRO . 3.7 mp -123.86 102.24 35.15 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.614 0.721 . . . . 73.34 111.137 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 29' ' ' ILE . 53.9 Cg_endo -69.74 142.03 46.92 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.709 2.273 . . . . 71.02 112.357 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 32.9 m80 -136.9 144.46 43.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 72.5 110.895 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 34.7 m -71.69 81.24 0.85 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.443 . . . . 65.42 110.882 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.87 146.93 39.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 74.13 110.86 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 18.1 mtpt -61.0 156.18 18.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 63.4 110.9 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -52.01 156.59 1.51 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 71.22 110.911 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.4 mmmt -57.81 159.14 10.6 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.565 0.698 . . . . 71.12 110.949 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 166.02 28.98 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.711 2.274 . . . . 70.32 112.334 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -56.14 148.61 17.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.24 -0.436 . . . . 74.12 110.931 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 58.2 t -75.06 133.32 75.63 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.614 0.721 . . . . 74.41 111.108 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 162.78 40.76 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.65 2.234 . . . . 73.22 112.395 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 51.4 t -52.61 143.09 4.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 74.44 111.151 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 69.0 p -53.06 142.09 20.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 74.45 111.156 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.84 162.63 29.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 73.32 111.126 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 53.0 p -86.53 160.11 19.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 71.35 110.863 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -70.53 133.7 47.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 73.24 110.902 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -162.12 145.13 11.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 75.4 110.852 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 17.4 p -61.71 156.27 20.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 75.33 110.919 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.45 110.46 5.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 55.11 111.095 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 46.3 pttt -78.11 163.88 25.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 74.22 110.933 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -50.21 123.75 9.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 71.01 110.893 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 109.95 -29.72 9.04 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.755 -0.736 . . . . 75.11 112.473 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -66.63 150.05 49.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.924 0.392 . . . . 73.41 110.873 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 35.7 t -82.76 148.59 5.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 72.41 111.104 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 26.9 m -119.75 172.69 7.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 75.13 110.892 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 128.06 -49.76 0.91 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.776 -0.726 . . . . 70.42 112.511 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 82.8 m95 -82.55 56.09 3.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.852 0.358 . . . . 74.2 110.938 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 63.56 32.65 84.86 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.741 -0.742 . . . . 71.02 112.457 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.6 m -103.31 116.83 33.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.916 0.389 . . . . 70.12 110.856 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -107.93 118.61 37.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.104 -0.498 . . . . 75.14 110.898 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 79.6 m -51.9 154.62 2.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 71.23 110.874 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 52.9 m -57.55 161.9 3.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 71.11 110.879 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 13.8 p80 -52.36 116.35 2.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 73.25 110.856 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 109.35 -23.27 23.09 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.728 -0.748 . . . . 70.34 112.445 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 11.6 mt -102.54 153.69 19.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.797 0.332 . . . . 74.5 110.932 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -144.01 163.81 32.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 73.42 110.896 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -114.65 141.09 26.16 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.622 0.725 . . . . 75.32 110.831 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 167.88 23.1 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.696 2.264 . . . . 72.34 112.36 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 29.3 mt -96.37 95.07 7.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 74.13 110.911 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -163.6 -174.77 3.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 72.52 111.091 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -56.81 -66.55 0.43 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 64.23 110.848 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.5 mp -118.63 82.02 19.27 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.62 0.724 . . . . 72.24 111.109 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 169.83 17.94 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.652 2.234 . . . . 75.53 112.345 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -143.86 130.67 20.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 65.31 110.891 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 58.6 m -51.5 139.21 20.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 65.01 110.855 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -157.94 160.64 37.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 53.2 110.876 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 30.8 mmtp -51.8 118.86 3.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 73.24 110.946 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 88.9 t80 -61.21 125.31 23.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.289 -0.414 . . . . 72.51 110.917 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 10.4 mmm180 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 70.01 110.915 -179.985 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 N-CA-C 112.501 -0.24 . . . . 51.33 112.501 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -68.0 113.96 6.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.877 0.37 . . . . 72.21 110.861 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 24.5 p -170.18 171.74 6.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 71.54 110.928 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -96.87 159.52 14.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 73.11 111.111 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 20.4 mttp -78.81 174.58 11.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 75.51 110.877 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 62.4 tt0 -70.39 119.77 15.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 75.43 110.888 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.69 -28.67 9.7 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.756 -0.735 . . . . 55.45 112.524 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -60.65 156.02 17.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.912 0.387 . . . . 73.42 110.842 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.4 t -72.69 150.46 8.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.475 . . . . 75.45 111.148 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 31.9 p -116.38 137.52 52.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 73.43 110.88 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 94.9 p -116.8 -171.55 2.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 74.24 110.84 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 32.3 t90 -61.06 -36.61 80.07 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.1 -0.5 . . . . 74.12 110.911 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -95.28 -24.89 15.22 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.754 -0.736 . . . . 75.23 112.502 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.5 ttpt -103.03 108.41 19.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.889 0.376 . . . . 73.54 110.928 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -107.39 143.68 35.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 73.32 110.872 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 92.2 m -52.07 119.65 4.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 62.34 110.894 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -52.14 -39.32 59.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 74.31 110.902 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -103.17 94.64 5.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 64.31 110.842 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 71.4 mt -82.04 -37.49 26.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 74.22 110.869 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -59.58 -36.11 75.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 75.0 110.893 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -99.26 -59.06 1.79 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 73.3 110.85 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -95.07 170.79 9.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 75.23 110.913 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -166.12 176.83 7.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 74.11 110.879 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 90.1 m -108.36 88.75 5.22 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.653 0.739 . . . . 75.02 110.911 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 158.25 57.56 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.707 2.271 . . . . 51.13 112.312 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 17.8 ttm -81.17 102.36 10.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 75.51 110.896 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -163.32 176.75 9.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 61.01 110.876 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -51.95 -57.09 10.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 74.4 110.896 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.8 mp -123.84 102.13 35.35 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.577 0.703 . . . . 74.41 111.139 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 121.43 8.12 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.672 2.248 . . . . 75.54 112.325 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 31.6 m80 -114.2 143.61 44.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 74.4 110.86 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 82.4 m -76.92 64.47 2.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 54.4 110.882 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.1 ptpt -113.38 168.49 9.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 74.52 110.902 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.2 mtpm? -68.22 160.3 29.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 75.41 110.844 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -55.35 157.56 3.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 73.32 110.896 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -127.28 157.32 72.92 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.603 0.716 . . . . 73.42 110.874 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 166.02 29.01 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.666 2.244 . . . . 62.42 112.379 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -64.2 123.2 18.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 63.42 110.923 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 58.4 t -131.89 133.34 23.94 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.643 0.735 . . . . 70.11 111.121 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 124.1 10.73 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.707 2.271 . . . . 75.44 112.323 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 39.5 t -101.59 135.71 36.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 71.33 111.124 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 22.2 p -80.76 160.65 24.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 74.35 111.189 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 4.5 p -85.99 76.85 9.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 72.41 111.148 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.0 p -88.87 165.56 14.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 72.32 110.894 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -77.28 148.52 35.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 75.2 110.904 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 35.6 t30 -161.05 151.69 18.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 71.14 110.886 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 6.7 p -129.61 156.95 43.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 63.11 110.871 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.03 114.38 13.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 73.52 111.11 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.2 ptmm? -77.54 163.76 26.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.266 -0.425 . . . . 71.01 110.915 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 -50.46 124.15 10.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 70.24 110.866 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 109.87 -29.71 9.09 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.745 -0.74 . . . . 75.54 112.507 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -66.58 150.46 48.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.883 0.373 . . . . 74.25 110.861 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 44.6 t -83.48 147.67 5.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 71.11 111.12 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 27.4 m -118.45 178.62 4.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 73.11 110.908 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 111.25 -34.5 5.26 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.699 -0.762 . . . . 74.44 112.501 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 95.6 m95 -89.2 48.96 1.69 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.79 0.328 . . . . 74.52 110.892 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 63.58 32.59 84.66 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.758 -0.734 . . . . 70.21 112.442 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -114.51 121.22 42.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.925 0.393 . . . . 74.41 110.872 -179.748 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.92 132.65 47.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.09 -0.504 . . . . 74.31 110.861 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 85.8 m -58.58 161.44 4.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 73.12 110.874 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 86.0 m -68.85 169.07 12.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.481 . . . . 72.54 110.885 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 9.6 t-160 -56.45 115.59 2.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 71.44 110.871 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 97.34 18.82 27.45 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.714 -0.755 . . . . 71.55 112.516 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 16.2 mt -141.53 149.18 40.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.808 0.337 . . . . 73.54 110.928 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -144.31 164.78 29.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 74.35 110.847 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -114.28 140.06 24.58 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.635 0.731 . . . . 74.31 110.875 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 167.79 23.36 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.647 2.232 . . . . 74.11 112.352 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 44.8 mt -93.67 95.1 8.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 73.14 110.943 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -163.18 -174.64 3.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 70.21 111.105 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -58.29 -66.56 0.46 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 73.31 110.891 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 4.4 mp -118.22 82.04 17.72 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.601 0.715 . . . . 73.42 111.179 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 169.73 18.21 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.645 2.23 . . . . 71.23 112.303 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -143.16 130.55 21.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 73.12 110.923 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 55.7 m -51.3 138.97 20.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.505 . . . . 71.04 110.905 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -157.98 156.55 31.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 75.35 110.847 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -51.66 118.85 3.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 74.03 110.925 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 10.1 p90 -52.15 137.9 26.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 75.52 110.92 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 74.43 110.846 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.473 -0.251 . . . . 60.32 112.473 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -112.91 98.92 7.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.854 0.359 . . . . 74.45 110.806 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 17.3 p -172.0 167.98 6.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 73.41 110.884 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -91.18 119.81 31.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 72.14 111.146 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.17 175.39 1.28 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 72.32 110.891 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -60.61 116.46 4.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 75.22 110.887 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.57 -28.71 14.62 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.743 -0.741 . . . . 74.41 112.477 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -57.42 160.91 3.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.899 0.38 . . . . 72.52 110.877 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 20.7 t -83.17 150.98 4.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 75.24 111.124 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 17.5 p -111.71 142.68 43.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 75.32 110.918 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 64.6 p -149.41 -179.4 7.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 72.12 110.858 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 34.2 t90 -56.84 -35.55 68.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.139 -0.482 . . . . 73.04 110.923 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -94.17 -24.88 18.16 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.727 -0.749 . . . . 75.23 112.475 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -103.76 106.49 17.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.855 0.359 . . . . 74.32 110.884 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.3 mmpt? -107.77 123.27 48.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 75.23 110.896 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -51.91 145.37 10.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 73.52 110.912 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -64.09 -46.88 82.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 75.35 110.934 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -110.81 77.02 1.01 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 70.35 110.837 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 78.4 mt -62.02 -35.28 78.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.214 -0.448 . . . . 74.44 110.932 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -56.45 -35.96 68.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 75.33 110.912 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 52.8 m-20 -92.5 -55.43 3.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 74.53 110.919 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -94.43 135.92 35.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 75.33 110.902 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 20.6 p90 -129.27 175.68 8.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 74.44 110.966 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 66.6 m -109.22 87.11 4.61 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.573 0.701 . . . . 75.0 110.915 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 158.42 56.95 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.668 2.245 . . . . 73.05 112.332 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 34.0 tpp -70.7 102.99 2.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 72.4 110.891 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -163.67 168.29 20.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 73.22 110.872 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -51.32 -57.08 9.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 75.43 110.884 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.3 mp -124.04 102.29 34.51 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.651 0.738 . . . . 73.34 111.138 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 123.28 9.93 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.663 2.242 . . . . 62.43 112.324 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 23.3 m80 -117.64 151.27 37.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 74.45 110.892 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 34.1 m -71.8 81.16 0.88 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 45.33 110.871 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.1 ttmt -115.6 130.84 57.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 74.12 110.907 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.2 ptpt -64.69 153.54 39.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 73.12 110.926 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -51.66 153.64 2.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.249 -0.432 . . . . 73.14 110.904 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 36.7 mtpt -52.64 159.92 1.56 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.596 0.712 . . . . 71.12 110.868 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 166.03 29.05 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.673 2.249 . . . . 70.05 112.331 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -53.47 145.85 13.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 74.45 110.94 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 58.4 t -80.92 133.31 55.03 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.646 0.736 . . . . 74.21 111.13 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 156.77 62.53 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.673 2.249 . . . . 75.35 112.364 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 38.7 t -55.77 147.67 4.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 72.33 111.155 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 14.1 p -60.26 155.24 18.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 51.43 111.122 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.95 163.06 20.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.458 . . . . 75.03 111.123 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.4 t -79.81 158.56 26.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 71.44 110.886 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -79.04 160.83 26.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 74.24 110.854 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -159.03 144.14 16.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 72.22 110.928 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 19.3 p -62.99 159.28 17.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 51.55 110.893 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -78.07 113.42 15.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 73.32 111.111 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 47.3 pttt -76.18 166.79 22.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 73.52 110.898 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -51.6 128.7 23.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.226 -0.443 . . . . 72.42 110.894 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 102.74 -29.84 11.65 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.785 -0.721 . . . . 64.12 112.499 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -63.83 155.81 29.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.874 0.369 . . . . 63.02 110.893 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 22.1 t -90.05 149.45 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 74.24 111.186 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 33.8 m -116.61 143.57 45.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 73.42 110.871 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 154.26 -33.42 0.71 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.765 -0.731 . . . . 62.12 112.539 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 22.7 m-90 -91.53 46.35 1.29 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.802 0.334 . . . . 73.32 110.969 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 64.22 32.67 84.96 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.732 -0.747 . . . . 73.34 112.442 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -109.29 116.89 32.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.961 0.41 . . . . 74.14 110.866 -179.78 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.6 mmmm -99.71 133.42 44.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.092 -0.504 . . . . 71.54 110.908 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 74.2 m -57.8 151.42 17.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 63.42 110.855 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 25.4 m -65.63 167.07 9.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 75.51 110.88 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 5.9 p-80 -52.23 128.39 24.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 75.54 110.894 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 96.8 -23.34 35.87 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.722 -0.752 . . . . 65.33 112.478 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 20.8 mt -102.21 160.5 14.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.805 0.335 . . . . 73.22 110.96 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -153.87 160.31 42.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 73.32 110.885 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -116.24 132.15 23.43 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.638 0.732 . . . . 72.14 110.901 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 167.03 25.6 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.72 2.28 . . . . 73.01 112.342 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -97.12 95.29 7.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 73.42 110.921 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -159.66 -174.4 4.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 74.1 111.04 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -52.18 -65.84 0.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 65.1 110.863 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.9 mp -127.75 82.96 67.35 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.633 0.73 . . . . 75.01 111.111 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 169.83 18.07 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.644 2.23 . . . . 63.33 112.351 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -143.49 131.71 21.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 74.31 110.892 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 55.3 m -51.47 137.51 23.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 72.42 110.881 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -158.09 147.2 19.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 63.42 110.86 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 26.5 mmtp -51.26 118.73 3.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 75.14 110.882 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -65.05 132.68 49.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 73.43 110.982 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 19.1 tpt180 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 73.12 110.91 -179.982 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.464 -0.254 . . . . 75.41 112.464 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -106.73 94.5 5.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.867 0.365 . . . . 74.45 110.833 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 30.1 p -171.86 169.54 5.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 65.21 110.827 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -104.91 132.51 51.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 70.41 111.094 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.67 167.8 1.39 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 73.13 110.887 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 59.7 tt0 -63.39 125.34 23.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 63.25 110.87 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.19 -28.78 9.88 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.743 -0.741 . . . . 75.3 112.482 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -62.58 158.64 17.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.904 0.383 . . . . 74.13 110.908 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 59.9 t -73.96 145.93 10.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 74.33 111.083 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 17.6 p -121.2 151.42 39.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 62.41 110.822 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 66.7 p -138.89 -174.52 3.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 72.41 110.869 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 68.9 t90 -57.27 -36.09 70.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.16 -0.473 . . . . 73.31 110.863 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -95.26 -24.84 15.41 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.733 -0.746 . . . . 55.45 112.484 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.7 tppt? -101.7 109.99 21.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.88 0.372 . . . . 74.32 110.849 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.9 mtpp -106.84 134.21 50.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 74.21 110.939 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 80.0 m -51.96 135.11 31.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 72.03 110.882 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 57.5 m -54.24 -43.69 71.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 74.11 110.905 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -103.64 98.27 8.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 73.23 110.828 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 68.0 mt -84.77 -36.19 21.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 74.5 110.943 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -61.98 -36.02 80.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 63.35 110.882 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 19.8 m120 -97.01 -56.69 2.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 71.41 110.9 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -95.9 163.23 13.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 64.14 110.911 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -156.09 176.89 12.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 72.32 110.929 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 98.4 m -108.37 88.71 5.19 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.634 0.731 . . . . 63.4 110.885 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 162.53 41.7 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.683 2.256 . . . . 63.13 112.36 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.4 107.07 16.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 75.35 110.904 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -163.31 172.1 15.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 75.41 110.879 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 51.9 m-85 -52.05 -49.8 62.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 75.13 110.876 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.4 mt -123.74 102.16 35.62 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.592 0.71 . . . . 62.4 111.152 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 121.39 8.08 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.65 2.233 . . . . 74.24 112.343 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 34.9 m170 -111.39 175.98 5.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 74.44 110.834 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 36.4 m -109.15 57.42 0.61 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 75.34 110.915 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 28.0 mtmt -113.39 170.89 7.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 73.31 110.913 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.2 ptpt -86.24 160.18 19.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 74.23 110.906 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -51.97 155.82 1.71 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 75.52 110.925 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.6 mmtm -66.01 159.75 68.23 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.627 0.727 . . . . 75.41 110.886 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 165.97 29.1 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.655 2.237 . . . . 72.13 112.365 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -61.19 147.19 45.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 75.23 110.94 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 58.3 t -88.05 133.3 37.48 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.652 0.739 . . . . 74.11 111.089 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 159.69 52.46 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.692 2.261 . . . . 71.1 112.383 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 53.6 t -53.52 145.74 3.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 75.22 111.122 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.0 m -53.15 139.81 27.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 75.15 111.13 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 15.1 t -57.36 170.17 0.54 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 74.34 111.133 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 27.5 m -81.49 157.36 24.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 75.11 110.867 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 -78.7 130.64 36.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 74.44 110.885 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -172.77 126.3 0.48 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.133 -0.485 . . . . 72.15 110.863 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 16.7 p -61.98 161.53 10.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 74.42 110.865 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.35 112.08 16.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 71.1 111.096 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 53.9 mttp -76.12 167.84 21.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.447 . . . . 74.03 110.947 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -51.72 129.44 26.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 65.04 110.928 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 101.09 -29.91 11.5 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.76 -0.733 . . . . 72.34 112.513 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 49.8 mm-40 -63.13 153.43 34.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.929 0.395 . . . . 70.41 110.872 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.7 t -87.97 149.91 3.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 74.13 111.145 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 35.6 m -116.44 144.36 44.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 62.1 110.895 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 147.45 -34.07 1.29 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.725 -0.75 . . . . 72.51 112.513 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 88.1 m95 -90.68 49.09 1.61 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.797 0.332 . . . . 74.41 110.883 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 64.06 32.78 85.31 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.716 -0.754 . . . . 73.14 112.472 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -112.11 123.95 51.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.957 0.408 . . . . 64.14 110.83 -179.753 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.9 mmtt -109.51 130.48 55.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.093 -0.503 . . . . 75.31 110.858 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 71.8 m -54.32 151.41 7.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 74.44 110.885 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 18.0 m -68.65 168.83 12.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 74.04 110.875 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 38.1 m-70 -53.74 127.16 24.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 73.2 110.905 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 98.56 -23.31 36.78 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.746 -0.74 . . . . 74.11 112.489 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 15.0 mt -102.24 160.51 14.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.824 0.345 . . . . 74.32 110.909 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -152.61 159.12 43.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 74.24 110.84 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -115.54 132.59 23.05 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.621 0.724 . . . . 62.52 110.895 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 166.81 26.34 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.693 2.262 . . . . 72.53 112.359 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -97.04 95.39 7.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 70.05 110.943 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -159.74 -174.71 4.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 74.33 111.094 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -52.27 -65.99 0.46 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 74.42 110.851 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.7 mp -127.19 82.83 67.45 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.626 0.727 . . . . 73.32 111.103 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 169.74 18.23 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.669 2.246 . . . . 73.43 112.324 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -143.39 131.41 21.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 75.35 110.965 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 55.4 m -51.77 137.88 24.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 71.54 110.873 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -158.05 146.66 19.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 62.12 110.919 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 61.7 mmtt -51.49 118.88 3.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 75.44 110.928 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -53.16 119.89 5.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 75.22 110.91 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 31.9 mtm180 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.107 -0.497 . . . . 74.02 110.9 -179.995 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.452 -0.259 . . . . 71.33 112.452 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -88.89 73.16 8.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.824 0.345 . . . . 62.23 110.832 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.0 p -171.98 171.64 4.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 73.31 110.896 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -93.85 134.68 35.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 75.42 111.065 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.6 tttm -58.92 162.36 4.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 74.23 110.877 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 61.1 tt0 -61.38 113.72 2.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 73.43 110.859 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.99 -28.66 15.01 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.694 -0.765 . . . . 74.34 112.481 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -60.31 160.22 8.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.847 0.356 . . . . 72.14 110.891 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.5 t -71.44 150.29 9.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 74.34 111.184 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.5 p -119.32 142.2 48.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 62.3 110.826 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.3 p -128.97 -179.0 4.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 71.21 110.887 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 56.2 t90 -57.48 -36.23 71.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 75.01 110.918 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -93.91 -24.8 19.14 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.708 -0.758 . . . . 75.24 112.469 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.6 ttpt -102.41 110.67 22.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.852 0.358 . . . . 73.44 110.901 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.2 mmmm -107.55 150.66 26.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 74.54 110.878 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 27.1 m -73.9 130.41 39.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 72.32 110.864 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -52.21 -45.15 65.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.499 . . . . 73.33 110.866 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -99.14 87.34 3.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 72.55 110.883 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 91.6 mt -79.2 -36.07 40.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 75.13 110.908 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -63.63 -36.03 82.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 64.53 110.859 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -92.5 -56.39 3.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 73.44 110.871 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -99.99 157.08 16.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 73.13 110.864 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -148.97 176.82 10.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.117 -0.492 . . . . 75.12 110.944 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 87.9 m -108.32 88.74 5.17 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.632 0.73 . . . . 71.11 110.913 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 152.38 69.42 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.705 2.27 . . . . 60.43 112.326 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -74.77 106.94 6.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 73.02 110.875 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -163.3 179.27 7.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.451 . . . . 72.34 110.873 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -51.94 -56.94 11.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 71.42 110.896 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.8 mp -123.84 102.21 35.26 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.613 0.72 . . . . 74.45 111.122 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 121.55 8.23 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.676 2.25 . . . . 74.34 112.328 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 30.7 m80 -114.26 169.88 8.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 74.35 110.854 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 84.8 m -97.69 59.39 1.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 63.51 110.932 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.2 ptpt -113.34 170.95 7.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 75.12 110.897 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.3 ptmt -86.58 160.36 18.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 71.23 110.897 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -51.98 155.77 1.73 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.257 -0.428 . . . . 71.51 110.92 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 44.1 mtpt -87.95 159.89 47.66 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.555 0.693 . . . . 74.34 110.894 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 125.06 11.7 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.657 2.238 . . . . 71.35 112.381 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -56.61 141.59 42.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 72.34 110.94 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 58.3 t -126.86 133.33 24.92 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.631 0.729 . . . . 74.33 111.121 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 126.11 12.93 Favored 'Trans proline' 0 N--CA 1.466 -0.145 0 C-N-CA 122.691 2.261 . . . . 75.23 112.341 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 51.8 t -76.99 140.61 16.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 74.25 111.18 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 66.4 p -55.2 162.32 1.46 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 75.3 111.124 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 64.31 36.79 8.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 74.41 111.143 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.5 t -76.42 166.17 23.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.425 . . . . 63.23 110.844 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -85.13 161.1 19.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 74.02 110.855 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -172.84 155.28 3.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 64.11 110.87 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 28.5 p -62.3 167.18 4.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 71.3 110.866 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -92.79 113.21 25.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 64.42 111.122 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -77.6 168.93 19.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 74.53 110.873 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -51.92 125.81 16.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 70.31 110.889 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 105.43 -30.0 10.57 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.724 -0.75 . . . . 75.13 112.454 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -63.4 155.69 28.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.859 0.361 . . . . 72.44 110.916 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 22.0 t -90.4 149.45 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 75.01 111.137 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 27.9 m -116.8 146.12 43.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 61.44 110.9 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 145.35 -33.53 1.57 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.751 -0.738 . . . . 72.3 112.46 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 83.1 m95 -90.51 47.27 1.41 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.757 0.313 . . . . 75.1 110.9 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 64.05 32.36 83.94 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.789 -0.72 . . . . 74.55 112.446 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.54 120.04 40.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.956 0.408 . . . . 73.31 110.867 -179.792 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.89 135.93 41.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.505 . . . . 73.02 110.863 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 93.6 m -57.34 146.66 28.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 61.42 110.852 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 33.1 m -63.22 170.44 2.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 71.44 110.882 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 17.1 p80 -57.62 123.48 15.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 63.42 110.863 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 93.81 18.67 36.81 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.711 -0.757 . . . . 55.0 112.471 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 13.2 mt -141.7 160.13 40.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.812 0.339 . . . . 74.42 110.941 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -151.23 159.33 44.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 72.23 110.91 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -116.74 133.31 23.06 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.639 0.733 . . . . 73.33 110.887 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 167.12 25.32 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.668 2.245 . . . . 75.25 112.327 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 8.8 mp -97.6 95.54 7.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 72.25 110.912 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -159.37 -174.47 4.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 71.53 111.109 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -53.04 -64.1 0.93 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 74.55 110.856 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 4.3 mp -128.63 82.6 68.3 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.644 0.735 . . . . 75.43 111.138 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 169.76 18.17 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.699 2.266 . . . . 62.41 112.341 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 43.5 m-85 -143.61 132.15 22.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 75.45 110.914 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 54.6 m -51.55 137.49 24.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 73.14 110.908 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -156.08 151.56 26.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 75.23 110.868 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 52.9 mmtt -51.71 119.01 3.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 75.21 110.915 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -56.09 137.13 51.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 73.33 110.901 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 75.54 110.859 -179.968 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.43 -0.268 . . . . 55.43 112.43 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -146.14 178.4 8.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.84 0.352 . . . . 73.4 110.863 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 27.2 p -168.81 169.31 9.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 73.35 110.898 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -96.66 159.85 14.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.462 . . . . 74.55 111.099 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.1 mmmt -77.56 172.88 12.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 63.52 110.851 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 61.8 tt0 -70.53 118.14 12.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 73.34 110.867 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.68 -28.71 9.6 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.713 -0.756 . . . . 65.1 112.481 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 54.3 mm-40 -61.47 148.04 43.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.885 0.374 . . . . 60.12 110.91 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.4 t -62.18 150.47 8.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 73.21 111.151 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.6 p -113.29 141.93 46.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 65.41 110.834 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 77.4 p -114.28 -173.71 2.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 72.11 110.875 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 51.1 t90 -62.77 -35.66 80.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 75.32 110.941 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -99.42 -24.83 9.81 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.704 -0.76 . . . . 73.13 112.472 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.59 106.54 18.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.854 0.359 . . . . 74.12 110.905 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -107.57 157.34 18.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 74.2 110.866 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 56.5 m -57.77 122.74 13.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 73.11 110.87 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -52.23 -36.14 51.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 75.24 110.911 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -114.27 100.2 8.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 75.52 110.854 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 77.2 mt -80.63 -36.34 32.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 74.43 110.905 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -61.88 -36.05 80.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 74.43 110.848 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -96.33 -58.57 2.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 72.24 110.91 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -94.72 164.72 12.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 74.51 110.878 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -164.1 158.65 19.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.492 . . . . 75.31 110.914 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.5 m -111.82 88.46 9.82 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.599 0.714 . . . . 71.35 110.933 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 170.57 16.26 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.737 2.291 . . . . 63.35 112.286 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 18.7 mtp -80.55 108.69 14.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.457 . . . . 71.54 110.884 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 21.1 pt-20 -163.31 178.36 8.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 75.02 110.893 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -52.04 -57.02 10.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 73.34 110.903 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.7 mp -123.89 102.12 35.2 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.668 0.747 . . . . 74.21 111.146 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 121.45 8.15 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.68 2.253 . . . . 74.31 112.386 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 23.0 m80 -114.47 176.84 4.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 75.5 110.847 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 85.2 m -115.01 66.41 0.69 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 71.3 110.878 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.1 mtpt -113.49 167.71 10.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 64.23 110.916 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.1 tppt? -66.88 160.27 26.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 73.44 110.9 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -52.66 157.82 1.48 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 74.24 110.924 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 33.2 mtmt -55.25 159.93 3.85 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.563 0.697 . . . . 74.33 110.883 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 166.0 29.1 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.661 2.241 . . . . 62.41 112.366 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -52.07 127.39 21.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.253 -0.43 . . . . 74.15 110.906 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 58.7 t -104.92 133.29 20.22 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.638 0.732 . . . . 74.11 111.088 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 161.76 44.7 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.653 2.235 . . . . 75.14 112.322 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 23.2 t -58.02 121.69 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 73.14 111.116 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.18 162.4 13.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 71.42 111.155 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.86 139.94 20.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 74.44 111.116 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 55.0 p -56.52 126.32 26.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 72.05 110.863 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -101.31 137.44 39.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 73.43 110.874 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -135.2 35.38 3.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 73.52 110.896 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 4.9 p -145.96 159.79 42.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 65.14 110.881 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.88 112.17 9.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 74.12 111.077 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 31.0 mttt -76.06 167.94 20.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 75.44 110.899 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -51.68 127.38 20.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 75.3 110.838 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 103.44 -29.8 11.6 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.72 -0.752 . . . . 64.35 112.483 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -63.66 155.23 30.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.881 0.372 . . . . 72.23 110.934 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.4 t -89.32 150.44 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 73.13 111.127 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 34.5 m -116.55 167.76 10.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 70.44 110.839 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 114.52 -34.17 5.04 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.731 -0.747 . . . . 73.31 112.508 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 9.7 m0 -92.3 45.28 1.2 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.81 0.338 . . . . 75.13 110.936 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 70.54 32.61 67.63 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.723 -0.751 . . . . 63.21 112.5 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -116.71 119.39 35.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.941 0.401 . . . . 74.04 110.882 -179.717 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.87 135.64 46.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 74.24 110.906 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 71.2 m -65.79 142.09 58.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.274 -0.421 . . . . 73.15 110.904 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 34.9 m -60.65 169.21 1.89 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 73.43 110.885 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -55.4 127.77 31.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 74.51 110.858 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 98.97 -23.22 37.3 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.773 -0.727 . . . . 74.4 112.484 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 12.7 mt -102.52 160.43 14.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.799 0.333 . . . . 74.33 110.893 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -152.21 161.17 43.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 74.5 110.83 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -116.54 132.81 23.15 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.629 0.728 . . . . 75.34 110.925 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 166.9 26.06 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.704 2.269 . . . . 74.13 112.36 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 93.6 mt -97.04 95.43 7.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 74.54 110.885 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -159.94 -174.62 4.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 61.2 111.095 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -52.42 -65.94 0.47 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 72.43 110.895 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.6 mp -127.03 82.84 67.39 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.644 0.735 . . . . 74.44 111.147 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 169.7 18.27 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.702 2.268 . . . . 74.2 112.311 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -143.59 132.02 22.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 73.12 110.911 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 55.5 m -51.52 136.8 25.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 61.25 110.862 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -157.07 147.27 21.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 74.53 110.878 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 27.4 mmtp -51.1 118.94 3.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 72.31 110.898 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -60.8 140.22 57.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 74.24 110.892 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 17.7 ttt85 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.055 -0.52 . . . . 72.41 110.853 -179.978 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.465 -0.254 . . . . 43.01 112.465 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -117.41 146.86 43.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.862 0.363 . . . . 73.34 110.889 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.9 p -171.93 170.61 5.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 54.35 110.853 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -97.78 121.03 39.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 70.4 111.05 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.65 175.0 1.55 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 74.05 110.868 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 71.3 tt0 -66.0 128.73 37.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 70.34 110.902 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.6 -28.65 9.68 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.757 -0.735 . . . . 64.21 112.516 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -67.42 161.0 26.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.928 0.394 . . . . 72.11 110.85 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 39.7 t -78.08 148.01 6.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 73.2 111.111 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 24.9 p -119.27 139.76 51.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 72.21 110.881 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 84.7 p -137.33 -172.67 3.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 74.01 110.86 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 67.9 p-90 -61.99 -38.49 88.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.153 -0.476 . . . . 74.14 110.924 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -89.65 -24.86 29.33 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.74 . . . . 74.34 112.439 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.51 108.63 19.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.858 0.361 . . . . 74.0 110.911 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 45.5 mmtt -100.94 124.73 47.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 73.35 110.875 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.7 t -51.92 137.75 25.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 71.22 110.929 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 53.3 m -56.91 -35.89 69.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 73.11 110.88 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -119.38 77.37 1.2 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 73.12 110.901 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 85.8 mt -67.45 -34.37 77.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 54.41 110.935 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -58.58 -35.7 72.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 73.43 110.8 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.2 m120 -93.03 -57.66 2.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.447 . . . . 71.32 110.865 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -94.52 144.63 25.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 75.44 110.876 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 10.3 p90 -128.68 176.12 8.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 74.21 110.933 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 91.4 m -108.96 88.55 5.63 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.575 0.702 . . . . 74.15 110.863 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 147.45 63.3 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.698 2.266 . . . . 73.42 112.332 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 33.9 mmt -73.37 102.86 3.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.256 -0.429 . . . . 74.21 110.914 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -163.46 176.41 9.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 75.04 110.881 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -51.68 -57.18 9.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 74.53 110.897 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.6 mp -124.0 102.09 34.88 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.627 0.727 . . . . 65.35 111.121 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 121.41 8.09 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.659 2.24 . . . . 74.1 112.31 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 29.8 m80 -114.72 158.78 21.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 74.24 110.868 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 34.5 m -88.0 80.18 7.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 73.4 110.916 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 73.0 mttt -113.32 161.38 17.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 73.33 110.929 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 25.5 mtmt -73.01 148.15 44.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 74.1 110.877 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -55.37 153.58 7.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 74.35 110.927 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.7 mptt -89.42 159.92 43.29 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.571 0.7 . . . . 74.23 110.956 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 166.01 29.04 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.716 2.277 . . . . 73.34 112.337 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 41.0 p90 -54.64 143.89 23.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 74.43 110.9 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 58.3 t -71.85 133.31 84.29 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.611 0.72 . . . . 73.32 111.088 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 154.31 67.89 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.721 2.281 . . . . 61.43 112.337 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 22.8 t -68.34 141.18 17.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 63.5 111.131 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 48.3 p -55.78 135.25 51.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 75.44 111.106 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.56 135.13 51.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 72.13 111.104 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.0 p -71.91 150.2 44.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 74.24 110.849 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -95.76 153.9 17.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 74.42 110.894 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 29.6 t30 -169.58 148.3 3.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 73.21 110.85 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 22.7 p -62.75 175.43 0.83 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 73.11 110.879 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -97.96 113.86 25.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 72.41 111.1 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -78.33 168.21 20.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 74.33 110.897 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 54.1 tt0 -51.91 126.56 18.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 73.43 110.895 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 105.22 -29.73 11.11 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.728 -0.749 . . . . 72.32 112.427 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -64.71 155.09 34.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.918 0.39 . . . . 71.41 110.88 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 23.9 t -89.95 149.41 4.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 74.32 111.128 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 29.5 m -116.99 149.7 39.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 70.33 110.88 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 141.45 -33.15 2.01 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.731 -0.747 . . . . 51.22 112.504 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 48.6 m95 -90.37 46.95 1.38 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.795 0.331 . . . . 74.25 110.925 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 63.51 32.87 85.61 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.765 -0.731 . . . . 63.43 112.479 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -116.73 116.7 28.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.963 0.411 . . . . 62.35 110.827 -179.739 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.04 145.62 25.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 74.33 110.914 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 95.4 m -65.67 147.66 53.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 75.43 110.911 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 43.0 m -64.5 170.87 3.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 73.44 110.848 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 9.4 t60 -56.77 125.73 23.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.177 -0.465 . . . . 72.23 110.852 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 90.51 18.81 47.35 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.749 -0.738 . . . . 75.21 112.509 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 40.5 mt -141.52 160.33 40.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.849 0.357 . . . . 75.43 110.918 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -153.39 159.42 42.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 75.13 110.857 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -116.23 133.85 22.88 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.588 0.709 . . . . 63.11 110.916 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 167.2 25.16 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.691 2.261 . . . . 72.23 112.343 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -96.86 95.34 7.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 74.23 110.952 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -160.41 -174.65 4.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 75.4 111.069 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -52.98 -66.14 0.44 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 64.22 110.862 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 27.3 mm -125.89 82.59 64.17 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.58 0.705 . . . . 71.15 111.126 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 169.79 18.1 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.704 2.269 . . . . 52.33 112.325 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -143.53 132.1 22.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 74.33 110.944 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 55.5 m -51.35 139.84 18.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 64.22 110.857 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 25.1 pt-20 -158.83 151.83 22.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 74.34 110.88 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -51.44 118.75 3.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 71.11 110.933 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 14.1 p90 -53.0 134.35 38.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 75.12 110.899 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 33.4 ttp180 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.093 -0.503 . . . . 75.4 110.899 179.985 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.467 -0.253 . . . . 63.2 112.467 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -118.05 135.95 53.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.864 0.364 . . . . 64.12 110.87 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 27.2 p -171.98 171.01 5.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 73.13 110.895 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -95.84 130.83 42.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 71.32 111.131 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.83 164.92 11.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 74.21 110.88 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 55.8 tt0 -62.77 128.49 36.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 73.1 110.873 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.56 -28.76 10.26 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.72 -0.752 . . . . 60.23 112.456 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -69.67 160.99 30.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.959 0.409 . . . . 72.2 110.88 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 20.9 t -76.4 150.81 6.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.128 -0.487 . . . . 75.34 111.155 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 17.4 p -114.39 144.85 42.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 71.04 110.867 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 81.2 p -131.86 179.63 5.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 73.53 110.856 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 67.9 t90 -59.82 -41.23 90.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 75.52 110.919 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -86.96 -24.88 36.21 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.796 -0.716 . . . . 73.4 112.493 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -103.68 109.74 21.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.824 0.345 . . . . 74.42 110.881 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 26.5 mmtm -102.87 134.73 45.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 75.43 110.888 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.6 t -51.85 144.72 10.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 75.41 110.886 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 33.4 m -65.22 -35.92 82.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 62.35 110.884 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -124.78 83.2 2.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 71.2 110.85 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 65.9 mt -68.16 -35.27 77.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.175 -0.466 . . . . 73.42 110.922 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -58.0 -35.97 72.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 73.31 110.883 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 60.2 m-20 -92.26 -57.73 2.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 73.42 110.934 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -94.6 142.43 27.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 75.01 110.867 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 5.3 p90 -131.59 160.17 36.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 72.14 110.901 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 76.2 m -108.74 89.01 5.83 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.647 0.737 . . . . 70.45 110.864 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 163.15 39.36 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.633 2.222 . . . . 73.31 112.34 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 81.5 mmm -72.45 105.1 4.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 73.13 110.867 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -163.37 171.09 16.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 73.41 110.834 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -51.83 -57.04 10.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 74.34 110.85 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.406 ' HA ' ' HD2' ' A' ' 30' ' ' PRO . 3.8 mp -123.82 102.22 35.31 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.619 0.723 . . . . 73.2 111.129 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 29' ' ' ILE . 54.3 Cg_endo -69.75 123.0 9.67 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.658 2.239 . . . . 74.52 112.384 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 22.8 m80 -116.4 150.46 37.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 72.53 110.849 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 34.3 m -83.7 85.09 7.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 72.33 110.9 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.0 ptmt -119.59 147.1 44.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 74.14 110.906 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 18.8 mtpt -53.71 152.17 5.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 74.23 110.894 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -52.71 149.64 5.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 72.21 110.939 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.6 mtpp -54.71 159.89 3.21 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.58 0.705 . . . . 72.13 110.925 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 166.06 28.87 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.653 2.235 . . . . 71.25 112.364 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 36.5 p90 -52.53 153.78 2.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.259 -0.428 . . . . 74.54 110.879 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 58.7 t -70.76 133.3 86.54 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.602 0.715 . . . . 72.05 111.117 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 160.92 47.92 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.677 2.252 . . . . 71.2 112.37 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.3 t -53.35 143.63 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.424 . . . . 62.13 111.123 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.4 m -53.08 134.52 38.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.466 . . . . 75.31 111.153 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 14.6 t -58.74 173.48 0.41 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 75.32 111.203 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.2 t -70.68 165.58 22.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 73.35 110.882 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -96.67 156.46 16.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 75.43 110.93 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 14.5 p-10 -162.72 143.57 9.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 74.14 110.865 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 17.8 p -61.89 161.63 10.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 70.23 110.889 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.57 112.74 17.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 74.51 111.075 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.0 pttp -75.97 168.66 19.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 63.45 110.888 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.5 tm-20 -51.46 130.04 26.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 73.3 110.902 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 100.18 -29.73 11.6 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.807 -0.711 . . . . 74.12 112.472 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -63.14 154.84 29.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.882 0.372 . . . . 72.43 110.89 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.2 t -90.22 150.76 3.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 74.0 111.135 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 33.7 m -116.37 143.82 45.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 75.04 110.853 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 147.66 -34.02 1.27 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.685 -0.769 . . . . 74.0 112.468 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 23.9 m-90 -91.24 48.25 1.48 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.829 0.347 . . . . 74.44 110.92 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 64.57 32.71 85.1 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.732 -0.747 . . . . 72.22 112.466 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.48 121.33 44.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.95 0.405 . . . . 72.31 110.852 -179.768 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.1 mmtm -106.31 131.35 53.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 70.01 110.864 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 72.9 m -55.42 150.05 12.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 74.34 110.913 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 21.0 m -67.4 167.86 11.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 74.33 110.901 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 13.8 m80 -53.33 128.31 27.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 73.25 110.833 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 97.6 -23.34 36.34 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.742 -0.742 . . . . 75.44 112.425 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 13.8 mt -101.8 160.12 14.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.842 0.353 . . . . 73.12 110.917 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -151.63 159.2 44.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 64.55 110.938 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -115.74 131.03 23.89 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.608 0.718 . . . . 62.34 110.873 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 166.63 26.96 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.682 2.255 . . . . 64.23 112.361 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 8.8 mp -97.28 95.44 7.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 74.21 110.95 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -159.13 -174.66 4.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 73.42 111.088 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -52.08 -64.85 0.68 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 72.44 110.868 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 4.3 mp -128.8 82.83 67.88 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.614 0.721 . . . . 73.44 111.128 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 169.72 18.26 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.653 2.235 . . . . 65.31 112.343 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 42.4 m-85 -143.85 131.88 21.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 72.03 110.902 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 56.6 m -51.54 136.86 25.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.096 -0.502 . . . . 70.11 110.868 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -156.7 145.01 19.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.155 -0.475 . . . . 65.01 110.892 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 28.3 mmmt -51.78 119.0 3.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 72.42 110.854 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -52.65 127.5 23.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 73.3 110.925 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 74.05 110.817 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.519 -0.233 . . . . 74.41 112.519 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -102.23 164.35 11.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.832 0.349 . . . . 74.3 110.888 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 17.8 p -170.3 156.64 5.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 65.04 110.871 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -91.9 141.39 28.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 72.01 111.092 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 53.7 mtpt -65.19 172.89 2.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 75.21 110.908 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 74.9 tt0 -69.31 124.44 23.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.249 -0.432 . . . . 73.23 110.86 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.76 -28.74 9.6 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 42.23 112.473 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -63.06 147.26 51.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.879 0.371 . . . . 60.1 110.878 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 90.0 t -63.98 144.58 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 71.05 111.084 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 18.5 p -114.04 142.44 46.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 71.14 110.908 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 86.4 p -126.4 -170.05 2.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 73.53 110.888 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 69.9 p-90 -61.11 -35.94 78.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.148 -0.478 . . . . 74.33 110.893 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -96.63 -24.84 12.8 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.723 -0.751 . . . . 70.34 112.538 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.92 108.14 19.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.863 0.363 . . . . 74.53 110.9 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.1 mtpp -107.49 140.74 40.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 73.34 110.916 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 75.1 m -52.31 124.21 12.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 74.14 110.843 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -52.18 -38.8 58.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 71.11 110.904 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -105.54 95.46 5.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 70.25 110.835 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 66.3 mt -82.07 -36.77 27.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 71.52 110.908 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -61.22 -36.52 80.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 64.31 110.844 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 31.0 m120 -97.41 -58.48 2.0 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 73.54 110.91 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -95.29 169.19 10.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 73.2 110.842 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 2.8 p90 -164.89 176.85 8.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 74.3 110.895 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 70.8 m -108.32 88.68 5.12 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.665 0.745 . . . . 70.03 110.928 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 167.42 24.42 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.707 2.272 . . . . 74.44 112.324 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 54.3 mmm -86.2 105.7 16.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 74.4 110.946 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -163.28 170.74 17.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 74.44 110.93 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -51.97 -48.82 64.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 73.24 110.888 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.6 mt -123.73 102.13 35.69 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.574 0.702 . . . . 73.44 111.154 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 121.24 7.92 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.631 2.221 . . . . 70.32 112.349 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 34.3 m170 -112.37 177.59 4.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 75.32 110.869 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 53.0 m -113.01 58.88 0.65 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 51.43 110.912 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.1 ptpt -113.39 170.88 7.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 74.14 110.927 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.3 ttmm -79.69 156.44 27.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 74.42 110.914 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -52.04 157.47 1.3 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 71.1 110.921 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 50.7 mtpt -77.22 159.93 76.83 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.587 0.708 . . . . 74.24 110.901 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 166.02 29.1 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.693 2.262 . . . . 74.45 112.328 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 47.2 p90 -54.93 139.51 40.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 75.34 110.931 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 58.3 t -97.61 133.27 23.78 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.634 0.731 . . . . 74.41 111.124 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 157.44 60.46 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.676 2.25 . . . . 61.24 112.359 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 43.4 t -59.95 136.77 23.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 74.43 111.119 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.2 p -112.71 142.96 44.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 71.43 111.171 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.7 p -58.35 -33.81 69.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 74.04 111.112 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 42.1 t -77.54 157.19 30.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 75.44 110.861 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -80.27 128.76 33.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 71.33 110.909 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -142.71 116.92 9.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 54.35 110.921 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 9.0 p -120.77 160.56 23.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 65.14 110.918 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -76.93 112.43 13.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 73.32 111.051 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 44.5 mtpt -76.1 167.53 21.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 74.23 110.845 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -51.61 128.47 23.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 74.13 110.895 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 103.05 -29.7 11.92 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.792 -0.718 . . . . 61.4 112.496 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -63.99 155.98 29.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.901 0.382 . . . . 65.22 110.906 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 22.1 t -91.51 149.61 4.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.163 -0.471 . . . . 74.15 111.138 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 28.4 m -116.27 142.94 46.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 73.03 110.839 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 152.25 -33.81 0.85 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.779 -0.724 . . . . 71.04 112.518 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 33.8 m95 -90.62 46.81 1.36 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.831 0.348 . . . . 74.24 110.916 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 63.54 32.63 84.82 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.716 -0.754 . . . . 74.23 112.528 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -116.83 118.07 31.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.905 0.383 . . . . 64.32 110.871 -179.723 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.53 156.14 16.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 73.53 110.889 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 77.6 m -77.18 149.94 35.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 74.51 110.905 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 30.7 m -64.0 169.13 4.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 64.24 110.913 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 17.3 t-80 -53.85 128.34 29.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 74.15 110.865 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 96.61 -23.15 36.51 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.74 -0.743 . . . . 71.04 112.488 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 22.6 mt -101.79 160.52 14.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.804 0.335 . . . . 75.33 110.92 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -154.21 160.76 42.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 73.44 110.861 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -115.69 132.02 23.37 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.6 0.714 . . . . 71.23 110.914 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 167.0 25.74 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.714 2.276 . . . . 72.51 112.328 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 57.5 mt -97.08 95.4 7.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 74.21 110.945 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -160.06 -174.53 4.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 75.33 111.086 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -52.42 -66.13 0.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 71.4 110.877 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 32.3 mm -126.84 82.88 66.78 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.655 0.741 . . . . 71.11 111.171 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 169.68 18.33 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.654 2.236 . . . . 64.54 112.38 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 45.4 m-85 -143.96 131.8 21.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 75.43 110.899 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 54.9 m -51.43 136.45 25.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 73.3 110.873 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -156.78 148.09 22.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 64.25 110.93 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 18.1 mmmt -51.39 118.8 3.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 74.45 110.903 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 29.3 t80 -53.35 122.08 8.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 74.25 110.889 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.058 -0.519 . . . . 75.41 110.877 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 N-CA-C 112.482 -0.247 . . . . 71.52 112.482 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -130.25 78.27 1.83 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.926 0.394 . . . . 75.15 110.864 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 17.4 p -171.11 156.71 4.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 74.12 110.924 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -89.86 126.68 35.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 61.12 111.132 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 21.3 mmmt -64.09 175.36 1.26 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 73.33 110.927 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 54.1 tt0 -63.96 126.92 29.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.426 . . . . 74.22 110.871 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.76 -28.69 9.72 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.738 -0.744 . . . . 61.04 112.507 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 57.7 mm-40 -62.11 160.51 12.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.883 0.373 . . . . 64.43 110.866 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 90.4 t -83.89 144.64 9.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 73.44 111.106 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 18.2 p -111.19 142.42 43.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.467 . . . . 65.13 110.915 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 58.0 p -136.45 -169.97 2.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 55.21 110.849 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 6.5 t90 -62.48 -35.67 80.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.49 . . . . 75.42 110.883 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -96.2 -24.87 13.56 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.744 -0.741 . . . . 72.33 112.48 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.57 108.53 19.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.875 0.369 . . . . 74.14 110.847 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.5 mmmm -106.88 134.0 50.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 71.42 110.884 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -52.03 153.14 2.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 75.14 110.865 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -81.79 -36.03 28.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 73.15 110.883 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -109.11 59.75 0.6 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.198 -0.455 . . . . 62.32 110.889 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 64.9 mt -52.54 -34.88 52.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.44 . . . . 70.31 110.914 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -58.53 -34.51 71.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 71.41 110.913 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.7 m-80 -94.12 -60.93 1.62 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 74.04 110.895 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -94.8 153.16 17.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 74.44 110.888 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -136.16 176.84 8.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 75.1 110.949 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 86.6 m -108.32 88.86 5.27 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.633 0.73 . . . . 63.45 110.852 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 161.56 45.45 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.663 2.242 . . . . 63.55 112.353 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 11.8 ttm -83.42 104.37 13.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 73.35 110.89 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -163.11 170.53 17.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 74.3 110.935 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -52.03 -55.36 21.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.478 . . . . 73.24 110.826 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.4 mp -123.84 102.19 35.26 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.635 0.731 . . . . 61.41 111.125 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 149.45 67.03 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.703 2.269 . . . . 74.43 112.331 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 34.2 m80 -143.04 167.08 22.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 74.45 110.885 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 34.9 m -97.41 68.47 2.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 71.15 110.912 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.2 pttp -113.4 142.79 45.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 73.35 110.929 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.9 ttpt -60.68 148.59 38.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 75.52 110.896 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -51.9 157.21 1.29 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 72.34 110.937 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.89 157.53 78.97 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.612 0.72 . . . . 73.31 110.874 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 166.03 28.97 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.689 2.259 . . . . 75.13 112.36 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -85.28 130.73 34.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 74.24 110.953 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 58.0 t -102.28 133.31 20.66 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.607 0.717 . . . . 73.31 111.098 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 162.79 40.72 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.69 2.26 . . . . 72.43 112.372 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 40.2 t -51.49 123.01 2.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 72.31 111.097 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.79 162.36 13.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 64.44 111.143 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 68.3 p -51.7 170.03 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 72.22 111.167 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -61.3 140.44 57.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 71.41 110.835 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -100.9 162.38 12.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 75.22 110.889 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -149.55 137.23 20.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 74.11 110.913 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 16.2 p -61.8 156.76 19.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 74.22 110.869 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.99 112.74 10.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 72.35 111.139 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -76.5 168.45 20.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 65.02 110.887 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -51.5 129.05 24.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.243 -0.435 . . . . 71.32 110.906 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 101.33 -29.8 11.74 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.8 -0.714 . . . . 64.23 112.533 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -61.95 156.05 22.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.859 0.362 . . . . 73.51 110.885 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 39.7 t -90.7 148.38 4.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 74.54 111.13 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 26.7 m -116.49 155.37 28.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 73.04 110.883 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 138.07 -36.44 1.92 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.766 -0.731 . . . . 54.31 112.469 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 56.3 m95 -91.93 51.26 1.8 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.795 0.331 . . . . 74.31 110.896 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 63.45 32.72 85.1 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.725 -0.75 . . . . 75.24 112.472 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -110.07 116.76 32.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.929 0.395 . . . . 75.34 110.855 -179.72 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.3 mmmm -103.44 130.1 50.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 62.53 110.898 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 76.0 m -58.51 150.51 22.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.273 -0.421 . . . . 71.45 110.902 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 30.5 m -64.06 166.03 8.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 71.12 110.883 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 7.7 t-160 -51.9 127.33 20.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 74.42 110.854 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 97.92 -23.28 36.71 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.742 -0.742 . . . . 64.14 112.53 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.2 mt -101.56 160.31 14.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.817 0.341 . . . . 74.12 110.938 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -154.85 160.93 41.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.188 -0.46 . . . . 61.22 110.868 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -114.68 134.73 22.35 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.656 0.741 . . . . 74.41 110.852 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 167.61 23.87 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.713 2.275 . . . . 71.14 112.378 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 92.2 mt -97.01 95.19 7.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.429 . . . . 74.13 110.943 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -160.43 -174.37 4.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 73.21 111.101 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -53.22 -66.27 0.42 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 72.24 110.873 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 4.0 mp -125.44 82.5 62.84 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.6 0.715 . . . . 74.43 111.114 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 169.9 17.74 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.68 2.253 . . . . 72.52 112.361 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -144.11 133.24 22.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 64.11 110.867 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 55.4 m -51.32 141.23 15.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.108 -0.496 . . . . 72.4 110.893 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -161.6 143.26 11.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 75.21 110.865 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 68.9 mmtt -51.54 118.89 3.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 74.14 110.905 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 67.7 t80 -57.24 128.16 35.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 71.41 110.951 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 21.7 ttt180 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 75.42 110.924 -179.996 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.449 -0.26 . . . . 44.14 112.449 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -87.58 154.73 20.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.827 0.346 . . . . 73.41 110.882 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 20.7 p -170.81 170.54 6.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 71.44 110.874 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -104.94 125.69 51.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 74.11 111.077 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.7 mmmp? -58.09 161.95 3.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 63.13 110.888 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 64.2 tt0 -58.65 126.36 27.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 75.01 110.925 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.44 -28.72 11.18 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.713 -0.755 . . . . 72.41 112.465 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 48.3 mm-40 -72.6 143.63 48.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.892 0.377 . . . . 75.15 110.913 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.5 t -62.36 150.25 8.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 61.34 111.148 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 31.7 p -118.39 137.69 52.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 74.33 110.914 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 61.7 p -117.17 -172.98 2.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 74.45 110.835 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 27.9 t90 -60.23 -35.83 76.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 74.45 110.922 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -94.77 -24.85 16.5 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.743 -0.742 . . . . 61.43 112.475 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -103.72 110.67 22.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.881 0.372 . . . . 74.34 110.902 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.2 mmtm -107.5 146.66 31.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 74.43 110.885 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 87.9 m -53.03 129.31 30.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 65.22 110.874 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 62.2 m -52.15 -37.8 55.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 75.21 110.9 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -111.21 102.65 11.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 73.25 110.871 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 62.2 mt -84.34 -36.11 22.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 74.43 110.92 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -59.78 -38.24 81.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 74.02 110.872 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 53.0 m-80 -97.96 -58.45 1.98 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 73.54 110.911 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -94.65 170.12 9.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 74.41 110.899 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 17.4 p90 -170.89 176.58 4.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.162 -0.472 . . . . 73.45 110.936 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 68.6 m -109.23 85.18 3.26 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.64 0.733 . . . . 74.03 110.878 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 166.88 26.14 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.715 2.276 . . . . 75.42 112.33 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 12.2 ttm -80.71 105.64 12.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 71.03 110.887 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -163.14 170.58 17.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 74.42 110.905 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -51.96 -54.76 25.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 74.25 110.922 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.9 mp -123.83 102.29 35.2 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.603 0.716 . . . . 74.42 111.141 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 123.2 9.87 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.692 2.261 . . . . 73.21 112.364 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 32.5 m80 -116.11 162.55 17.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 74.1 110.877 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 63.7 m -101.05 45.54 0.97 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 75.04 110.837 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.2 tppt? -113.31 130.88 56.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 75.42 110.907 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.8 ptmt -56.83 126.49 27.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 73.12 110.917 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -87.5 158.1 19.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 75.15 110.953 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.3 mtmm -69.66 153.7 95.41 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.549 0.69 . . . . 72.24 110.911 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 125.02 11.68 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.677 2.251 . . . . 74.41 112.359 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -58.2 140.83 52.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 71.5 110.936 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 58.7 t -105.32 133.27 20.25 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.661 0.743 . . . . 75.42 111.101 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 150.37 68.01 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.653 2.235 . . . . 71.52 112.341 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.8 t -71.69 130.29 35.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.45 . . . . 74.12 111.16 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 19.1 p -116.41 162.4 17.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 72.2 111.12 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 20.7 p -104.46 77.78 1.42 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 72.41 111.113 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.9 t -89.11 166.06 14.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 61.04 110.877 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -69.21 129.12 38.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 75.43 110.883 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 59.8 t30 -174.06 156.56 2.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 74.44 110.887 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 17.6 p -61.82 163.11 7.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 61.24 110.876 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -87.01 110.29 19.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 71.23 111.115 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.58 170.3 14.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 73.02 110.914 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -50.63 127.33 17.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 75.45 110.834 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 100.3 -28.27 16.55 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.765 -0.731 . . . . 75.24 112.496 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -63.92 148.28 49.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.87 0.367 . . . . 63.52 110.872 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 16.5 t -82.09 153.74 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 73.3 111.145 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 9.7 m -115.29 178.35 4.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 60.41 110.889 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 92.42 -39.16 3.04 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.736 -0.745 . . . . 63.0 112.466 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 80.4 m95 -85.09 52.67 2.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.758 0.313 . . . . 72.33 110.945 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 63.06 28.9 72.87 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.75 -0.738 . . . . 72.05 112.533 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.15 116.61 27.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.93 0.395 . . . . 74.55 110.827 -179.693 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -107.19 124.19 49.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 74.33 110.874 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 70.7 m -51.31 137.46 23.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 75.02 110.918 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 59.2 m -51.27 162.19 0.35 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 74.13 110.853 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 15.3 t-80 -52.95 112.53 0.87 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 74.03 110.822 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 109.22 -23.2 23.54 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.724 -0.751 . . . . 73.31 112.481 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 26.0 mt -97.86 154.01 17.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.853 0.359 . . . . 73.2 110.878 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -157.49 152.85 26.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 74.41 110.892 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 4.3 p -118.22 152.72 50.99 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.688 0.756 . . . . 74.44 110.839 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 169.11 19.67 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.714 2.276 . . . . 72.22 112.338 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 22.5 mt -96.18 104.76 16.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.447 . . . . 74.51 110.908 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -165.69 -173.81 2.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.169 -0.469 . . . . 63.24 111.099 179.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -56.4 -67.07 0.33 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 73.42 110.859 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 18.9 mm -112.6 80.32 3.61 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.63 0.729 . . . . 75.34 111.124 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 163.69 37.29 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.671 2.247 . . . . 72.11 112.321 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -144.94 130.25 18.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 74.54 110.945 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 68.0 m -60.4 135.07 57.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 74.32 110.892 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -145.19 155.43 43.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 74.34 110.869 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 50.2 mmtt -51.54 118.59 3.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 73.12 110.866 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -89.92 131.81 35.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.245 -0.434 . . . . 71.45 110.881 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 28.8 mtt85 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 74.14 110.896 -179.964 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.491 -0.244 . . . . 75.02 112.491 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -119.43 88.59 2.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.914 0.388 . . . . 75.44 110.897 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 28.9 p -170.34 165.19 8.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 71.53 110.872 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -102.15 131.31 48.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 74.53 111.109 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.77 168.47 1.22 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 74.33 110.929 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 59.6 tt0 -68.25 123.26 20.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 74.44 110.892 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.99 -28.74 14.51 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.703 -0.76 . . . . 62.23 112.444 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -71.27 160.87 32.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.886 0.374 . . . . 75.3 110.897 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 t -73.28 149.91 8.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 72.14 111.175 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 20.2 p -122.78 143.24 49.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 73.43 110.861 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.9 p -129.01 -174.75 3.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 73.33 110.876 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 20.8 t90 -57.59 -38.49 74.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 74.23 110.902 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -92.87 -24.77 22.12 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.749 -0.739 . . . . 74.44 112.504 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.51 106.78 17.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.827 0.346 . . . . 74.22 110.902 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.34 145.81 32.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 75.32 110.904 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 73.7 m -55.8 135.34 51.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 63.15 110.882 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 63.3 m -52.43 -36.23 53.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 72.4 110.893 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -115.25 103.63 11.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 73.21 110.902 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 56.8 mt -81.88 -36.26 28.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 74.54 110.909 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -62.14 -36.27 81.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.199 -0.455 . . . . 73.23 110.834 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -97.03 -56.51 2.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 74.32 110.89 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -95.64 163.24 13.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 73.32 110.895 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 9.8 p90 -161.09 176.62 11.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 73.4 110.925 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 82.9 m -108.75 87.49 4.48 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.65 0.738 . . . . 65.24 110.927 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 165.48 30.8 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.688 2.259 . . . . 74.23 112.35 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 12.3 mtp -85.94 105.75 16.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 74.52 110.903 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -163.29 175.45 10.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 73.52 110.875 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -52.09 -56.92 11.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 75.33 110.846 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.9 mp -123.79 102.15 35.49 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.597 0.713 . . . . 74.13 111.14 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 121.28 7.99 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.697 2.265 . . . . 74.33 112.336 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 31.1 m80 -113.67 168.14 10.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 71.23 110.861 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 47.1 m -100.03 64.32 1.22 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 63.13 110.894 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.3 tppt? -113.41 160.14 18.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 73.42 110.928 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.2 ptpt -71.97 160.26 32.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 74.31 110.895 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -52.03 158.01 1.17 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 75.43 110.901 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 22.1 mmmt -97.39 159.12 31.93 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.608 0.718 . . . . 75.22 110.869 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 165.98 29.16 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.667 2.245 . . . . 71.54 112.356 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 48.4 p90 -52.11 148.72 5.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 71.32 110.865 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 58.4 t -104.13 133.26 20.32 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.652 0.739 . . . . 74.4 111.105 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 162.67 41.16 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.702 2.268 . . . . 74.32 112.313 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 39.6 t -51.75 126.55 7.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 71.02 111.119 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.2 p -108.84 162.38 14.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 74.12 111.168 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 9.5 t -51.87 -33.62 37.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 74.4 111.139 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 49.3 m -67.27 165.99 15.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 74.3 110.834 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -96.41 161.93 13.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.096 -0.502 . . . . 71.54 110.841 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -161.63 149.06 14.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 71.53 110.87 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 17.6 p -62.6 160.61 13.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 75.22 110.9 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -77.74 110.5 12.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 54.41 111.118 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.4 167.57 20.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 73.13 110.873 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -51.88 127.89 22.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 74.13 110.919 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 103.04 -30.04 11.23 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.749 -0.739 . . . . 63.43 112.474 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -62.38 154.8 27.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.924 0.392 . . . . 65.51 110.876 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 22.0 t -90.18 149.69 3.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 65.31 111.139 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 29.1 m -116.56 146.65 42.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 65.31 110.929 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 152.77 -33.49 0.81 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.718 -0.753 . . . . 75.14 112.48 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 77.3 m95 -91.41 45.98 1.27 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.802 0.334 . . . . 74.25 110.909 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 64.12 32.68 85.01 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.797 -0.716 . . . . 42.53 112.478 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -108.8 116.6 32.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.906 0.384 . . . . 75.0 110.899 -179.766 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.8 mmmm -98.78 131.4 44.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 75.13 110.922 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 73.7 m -54.55 153.38 5.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 74.41 110.901 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 20.4 m -67.77 167.22 13.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.472 . . . . 74.22 110.849 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 6.1 p-80 -51.93 128.63 24.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 73.45 110.875 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 95.55 -23.46 33.76 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.679 -0.772 . . . . 71.43 112.498 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 23.4 mt -100.53 160.15 14.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.809 0.337 . . . . 74.04 110.902 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -152.73 158.65 42.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 75.1 110.849 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -115.22 130.84 23.92 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.589 0.709 . . . . 71.52 110.862 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 166.95 25.83 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.653 2.235 . . . . 74.41 112.338 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -97.01 95.41 7.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 73.14 110.906 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -159.73 -175.16 4.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 62.13 111.117 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -52.73 -64.74 0.72 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 74.5 110.871 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 4.1 mp -127.72 82.65 67.94 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.629 0.728 . . . . 75.43 111.147 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 169.66 18.48 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.653 2.235 . . . . 72.53 112.329 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 42.4 m-85 -143.46 130.76 20.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 73.33 110.968 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 55.6 m -51.75 136.32 27.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 55.31 110.877 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -156.23 146.54 21.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 73.31 110.929 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 8.2 mmmm -51.3 119.21 3.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.174 -0.466 . . . . 72.33 110.898 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 61.5 t80 -54.65 131.67 43.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 74.43 110.887 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 18.1 mmt180 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 73.14 110.812 -179.961 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.474 -0.25 . . . . 54.42 112.474 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 60.21 39.41 19.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.9 0.381 . . . . 73.14 110.898 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 31.8 p -169.24 152.75 5.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 73.15 110.884 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -83.72 122.28 28.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 64.41 111.11 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.7 mmmt -58.68 169.35 0.97 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 74.13 110.929 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 53.5 tt0 -59.2 118.43 5.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 64.52 110.89 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.05 -28.73 9.88 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.759 -0.734 . . . . 73.33 112.449 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -62.41 144.51 55.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.913 0.387 . . . . 74.34 110.887 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.9 t -63.0 145.08 13.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 72.54 111.115 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 20.0 p -121.07 137.49 54.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.467 . . . . 74.21 110.9 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 86.1 p -120.96 -172.65 2.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 74.14 110.876 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 68.4 t90 -57.19 -36.85 71.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 73.53 110.901 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -94.01 -24.88 18.63 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.768 -0.73 . . . . 73.2 112.527 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.73 106.52 17.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.782 0.325 . . . . 75.34 110.884 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? -107.45 145.55 32.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.265 -0.425 . . . . 75.52 110.914 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 68.4 m -56.94 130.81 47.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 74.4 110.919 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -52.14 -40.46 61.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 71.3 110.884 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -110.74 98.05 7.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 75.0 110.866 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 58.7 mt -76.69 -35.14 58.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 75.44 110.886 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -59.72 -35.7 75.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 72.13 110.834 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -96.64 -59.83 1.73 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 72.41 110.894 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -94.64 162.52 13.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 71.14 110.904 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 4.3 p90 -163.67 165.19 23.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.187 -0.461 . . . . 73.44 110.936 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 27.3 m -108.39 89.75 6.29 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.621 0.724 . . . . 74.2 110.859 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 165.42 31.11 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.615 2.21 . . . . 73.12 112.358 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 30.9 ttm -73.3 106.04 4.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 73.12 110.921 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -163.34 173.39 13.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.26 -0.427 . . . . 73.22 110.85 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -51.87 -57.03 10.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 74.31 110.894 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.4 mp -123.93 102.1 35.06 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.595 0.712 . . . . 64.1 111.107 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 121.75 8.43 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.67 2.246 . . . . 73.32 112.331 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 22.4 m80 -115.02 177.81 4.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 71.05 110.878 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 63.5 m -104.06 72.13 1.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 75.42 110.922 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 31.4 ttmt -113.36 137.21 51.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 71.05 110.894 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 16.9 ttmt -57.09 157.31 6.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 72.04 110.925 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -61.65 157.45 17.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 75.54 110.921 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 22.4 mmtp -106.42 159.12 30.9 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.582 0.706 . . . . 74.13 110.881 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 166.03 29.0 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.623 2.215 . . . . 74.51 112.338 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -57.0 145.5 30.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 75.42 110.942 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 58.7 t -134.44 133.32 21.45 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.622 0.725 . . . . 62.33 111.138 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 149.4 66.38 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.632 2.221 . . . . 74.13 112.349 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 40.9 t -60.2 128.58 21.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 74.04 111.115 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 21.9 p -122.72 155.56 36.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 71.42 111.13 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.42 135.6 56.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 71.55 111.133 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.1 m -72.01 127.26 32.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 65.02 110.853 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -100.95 136.7 40.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 71.31 110.875 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -134.93 35.25 3.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.08 -0.509 . . . . 54.44 110.876 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 12.5 p -135.33 159.66 40.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 65.31 110.898 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -76.52 112.15 12.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 61.51 111.088 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.4 pttp -75.37 167.55 21.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 74.11 110.867 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -51.71 128.9 24.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 73.34 110.916 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 102.53 -29.88 11.57 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.775 -0.726 . . . . 70.35 112.497 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -63.98 155.37 31.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.917 0.389 . . . . 72.31 110.856 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.6 t -90.93 150.31 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 73.01 111.129 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 33.1 m -116.16 144.59 43.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 64.1 110.837 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 153.42 -33.62 0.77 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.713 -0.756 . . . . 55.14 112.469 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 71.1 m95 -91.58 45.81 1.25 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.791 0.329 . . . . 73.23 110.925 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 64.52 32.62 84.8 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.729 -0.748 . . . . 73.15 112.491 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -109.83 116.74 32.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.9 0.381 . . . . 74.41 110.891 -179.742 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.9 mmmm -99.32 134.07 42.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 62.05 110.862 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 72.0 m -57.51 151.58 16.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 65.55 110.897 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 28.1 m -66.36 170.1 6.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 64.3 110.893 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 8.1 t-160 -55.06 127.87 31.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 72.32 110.86 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 97.11 -23.29 36.38 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.763 -0.732 . . . . 51.25 112.477 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 28.9 mt -100.65 160.4 14.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.771 0.32 . . . . 73.32 110.952 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -151.37 160.87 43.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.443 . . . . 74.23 110.88 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -119.28 129.03 25.61 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.603 0.716 . . . . 74.2 110.871 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 166.48 27.42 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.712 2.275 . . . . 62.03 112.333 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 8.8 mp -97.46 95.31 7.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 72.42 110.939 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -158.45 -174.63 4.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 73.33 111.107 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -51.79 -64.31 0.85 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 74.41 110.891 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 4.1 mp -129.99 83.11 64.61 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.626 0.727 . . . . 75.51 111.115 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 169.65 18.43 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.673 2.249 . . . . 64.34 112.331 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 41.5 m-85 -143.67 131.06 20.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 74.25 110.932 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 56.1 m -51.7 135.57 28.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.07 -0.513 . . . . 73.34 110.917 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 20.6 pt-20 -155.49 148.63 24.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 74.45 110.854 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 30.3 mmtp -51.81 118.96 3.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 75.12 110.913 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -66.43 122.27 17.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 73.54 110.871 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 18.2 mmt180 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.065 -0.516 . . . . 74.54 110.888 -179.982 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.54 -0.224 . . . . 74.33 112.54 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -131.68 72.81 1.51 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.863 0.363 . . . . 71.25 110.889 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 21.1 p -171.4 169.75 6.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 73.43 110.891 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -93.32 136.79 33.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 74.1 111.137 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.8 ttmt -59.98 171.97 0.86 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.268 -0.424 . . . . 73.34 110.95 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 65.4 tt0 -62.8 117.67 6.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 75.04 110.892 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.76 -28.66 10.73 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.774 -0.727 . . . . 71.33 112.482 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -55.05 160.68 1.96 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.887 0.375 . . . . 72.24 110.854 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.6 t -74.94 150.16 7.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.49 . . . . 61.32 111.13 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.1 p -121.12 142.15 50.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 72.42 110.876 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 77.5 p -128.76 -173.62 3.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 62.32 110.886 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 68.9 p-90 -59.58 -35.74 74.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 73.43 110.887 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -95.79 -24.86 14.34 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.764 -0.732 . . . . 35.55 112.481 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.5 tppt? -103.64 113.55 27.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.857 0.361 . . . . 64.52 110.892 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.41 164.53 12.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 75.12 110.95 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 51.2 m -86.41 122.2 30.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.433 . . . . 75.11 110.93 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -52.14 -36.24 50.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 75.51 110.91 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -102.88 88.72 3.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 72.3 110.871 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 63.3 mt -80.5 -36.07 33.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 75.35 110.91 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -63.83 -36.08 82.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 74.22 110.877 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -95.03 -58.82 2.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 73.14 110.862 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -94.77 168.02 11.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 73.44 110.872 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -157.72 176.73 12.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.197 -0.456 . . . . 74.21 110.957 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 63.5 m -108.46 88.73 5.29 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.64 0.733 . . . . 64.12 110.886 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 143.28 50.68 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.673 2.249 . . . . 73.01 112.358 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -74.45 104.43 5.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 73.23 110.844 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -163.38 177.17 9.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 74.41 110.874 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -52.01 -57.03 10.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.473 . . . . 73.52 110.866 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.9 mp -123.82 102.13 35.4 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.601 0.715 . . . . 74.44 111.16 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 146.99 62.04 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.689 2.259 . . . . 72.2 112.358 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 36.3 m80 -142.31 139.89 31.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.26 -0.427 . . . . 73.43 110.861 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 80.5 m -76.67 67.11 2.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 71.23 110.871 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.6 ptpt -115.78 169.92 8.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 75.22 110.876 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.2 mmmt -64.75 160.2 20.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 74.23 110.857 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -52.01 153.47 2.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 64.34 110.878 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.9 mtpp -104.22 159.88 27.89 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.563 0.696 . . . . 73.3 110.903 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 166.01 29.03 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.688 2.259 . . . . 65.04 112.328 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 33.2 m-85 -51.97 144.13 12.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.472 . . . . 75.53 110.927 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 58.7 t -87.26 133.24 39.1 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.574 0.702 . . . . 74.32 111.15 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 162.82 40.57 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.692 2.261 . . . . 73.13 112.35 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 39.7 t -51.74 127.34 8.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.45 . . . . 75.02 111.071 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 75.2 p -105.29 162.37 13.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 74.53 111.121 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.77 166.43 0.14 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 75.1 111.098 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.1 t -68.13 158.74 32.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 65.15 110.803 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -97.53 162.39 13.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 74.53 110.847 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -152.54 139.73 19.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.098 -0.501 . . . . 71.13 110.86 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 20.3 p -61.86 160.5 11.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.481 . . . . 72.44 110.885 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.0 111.58 15.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 74.44 111.119 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 25.4 mmtp -74.96 169.13 18.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 73.31 110.873 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -51.79 129.37 26.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 73.04 110.886 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 101.12 -29.98 11.36 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.695 -0.764 . . . . 71.34 112.479 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -62.74 155.1 27.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.946 0.403 . . . . 72.55 110.851 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.2 t -92.18 150.55 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 73.35 111.103 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 28.0 m -116.12 144.15 44.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 64.53 110.85 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 155.02 -33.37 0.66 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.692 -0.766 . . . . 63.55 112.462 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 76.8 m95 -91.68 46.08 1.26 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.804 0.335 . . . . 64.53 110.95 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 63.62 32.77 85.3 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.779 -0.724 . . . . 64.11 112.481 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -110.12 117.3 33.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.911 0.386 . . . . 74.13 110.863 -179.762 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.8 mmmm -98.64 136.41 38.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 73.14 110.906 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 73.0 m -58.78 152.52 18.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 73.13 110.908 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 19.5 m -68.26 168.81 11.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 62.01 110.919 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 36.3 m80 -54.27 126.73 24.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 74.41 110.884 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 98.97 -23.27 37.09 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.736 -0.745 . . . . 74.31 112.496 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 17.0 mt -101.6 160.27 14.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.807 0.337 . . . . 73.11 110.93 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -150.16 159.06 44.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 75.53 110.908 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -118.39 127.9 26.3 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.622 0.725 . . . . 72.2 110.831 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 166.59 27.09 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.699 2.266 . . . . 75.51 112.35 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 54.5 mt -97.56 95.33 7.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 72.14 110.882 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -157.71 -174.77 5.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 75.34 111.091 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -51.85 -62.9 1.34 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 71.41 110.867 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 4.1 mp -131.8 83.08 58.45 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.714 0.769 . . . . 74.42 111.15 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 169.74 18.18 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.714 2.276 . . . . 73.53 112.303 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 45.2 m-85 -143.66 130.77 20.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 71.14 110.926 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 56.5 m -51.73 135.2 29.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 72.22 110.887 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -155.05 147.19 23.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 54.43 110.87 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.9 mmmm -51.59 118.94 3.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 65.33 110.922 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -77.42 134.08 38.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 73.44 110.94 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.491 . . . . 75.52 110.89 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.473 -0.251 . . . . 70.14 112.473 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -120.42 69.24 0.86 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.851 0.358 . . . . 70.1 110.887 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 17.7 p -172.02 166.55 6.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 61.33 110.861 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -104.36 126.77 51.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 72.34 111.122 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.5 mtmt -58.18 168.96 0.9 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 73.13 110.882 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 77.1 tt0 -64.34 140.5 58.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 74.11 110.934 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.55 -28.64 9.65 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.752 -0.737 . . . . 74.54 112.438 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -77.25 161.05 28.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.916 0.388 . . . . 65.24 110.9 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.1 t -82.47 150.84 4.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.113 -0.494 . . . . 63.04 111.161 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 17.4 p -108.43 142.64 38.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 75.4 110.915 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 66.2 p -121.47 -170.08 1.97 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 74.45 110.827 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 19.9 t90 -68.28 -38.27 81.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.48 . . . . 75.12 110.912 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -94.99 -24.98 15.52 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.755 -0.736 . . . . 64.51 112.47 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.8 ttpt -103.78 113.53 27.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.832 0.349 . . . . 75.11 110.913 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.38 169.34 8.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 73.4 110.9 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.7 t -76.94 142.2 40.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 65.1 110.853 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 22.6 m -67.28 -36.12 80.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 75.04 110.878 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -116.76 73.34 0.86 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 75.0 110.868 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 86.3 mt -65.09 -31.72 73.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 71.31 110.864 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -59.21 -34.41 72.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.439 . . . . 74.55 110.818 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -97.77 -59.19 1.82 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.441 . . . . 75.11 110.927 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -94.34 160.99 14.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 70.45 110.898 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 8.5 p90 -152.09 175.11 12.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 73.51 110.902 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 84.9 m -108.85 88.2 5.21 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.628 0.728 . . . . 74.32 110.851 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 156.31 63.61 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.663 2.242 . . . . 73.41 112.336 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 24.0 mmt -65.61 101.59 0.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 73.53 110.899 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -163.41 168.63 20.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 73.53 110.893 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -51.7 -57.08 10.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 74.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.8 mp -124.03 101.96 34.91 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.58 0.705 . . . . 75.14 111.157 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 120.84 7.56 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.661 2.241 . . . . 75.21 112.359 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 26.7 m80 -113.53 147.27 38.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 73.2 110.863 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 33.8 m -74.76 73.26 2.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 73.43 110.9 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt -113.37 148.39 35.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 75.1 110.927 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.3 ttpt -70.73 154.26 42.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 72.42 110.913 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -56.57 157.99 4.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 72.32 110.938 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.75 159.9 83.73 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.591 0.71 . . . . 73.35 110.913 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 166.01 28.99 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.687 2.258 . . . . 71.01 112.31 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 50.9 p90 -61.61 142.12 57.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 71.52 110.941 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 58.3 t -80.88 133.3 55.18 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.562 0.696 . . . . 72.43 111.153 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 128.05 15.46 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.684 2.256 . . . . 71.43 112.347 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 25.7 t -64.65 134.74 29.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 65.04 111.084 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 14.2 t -95.59 160.57 14.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 74.5 111.136 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.1 p -68.87 161.39 28.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 75.33 111.11 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 67.8 m -78.91 139.03 38.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 63.14 110.862 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -97.27 161.01 14.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.114 -0.494 . . . . 74.22 110.853 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -160.89 136.0 7.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 71.13 110.859 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 17.3 p -61.83 165.75 5.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 73.51 110.887 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -83.32 112.74 20.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 72.44 111.102 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 33.4 mtmm -76.42 165.39 24.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 70.13 110.885 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.5 tm-20 -50.23 122.76 7.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 74.43 110.876 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 109.6 -29.65 9.26 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.708 -0.758 . . . . 61.44 112.502 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -64.27 148.95 49.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.902 0.382 . . . . 70.31 110.848 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 24.1 t -82.35 149.43 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 72.24 111.17 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 14.4 m -122.42 151.74 40.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 70.41 110.917 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 144.18 -59.12 0.52 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.721 -0.752 . . . . 75.1 112.492 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 6.0 m-90 -77.03 61.44 2.0 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.777 0.322 . . . . 73.5 110.908 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 63.37 32.66 84.91 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.762 -0.732 . . . . 73.03 112.503 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -115.91 126.68 54.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.983 0.421 . . . . 74.43 110.874 -179.771 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.56 158.15 27.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 75.05 110.896 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 67.4 m -84.26 159.67 20.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 74.23 110.904 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 17.8 m -69.46 169.96 11.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 75.13 110.868 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 13.9 p80 -56.8 116.83 3.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 72.4 110.889 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 109.37 -23.44 22.69 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.724 -0.75 . . . . 64.32 112.45 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.6 mt -102.4 157.67 16.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.842 0.353 . . . . 64.12 110.942 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -148.45 162.31 39.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 73.02 110.904 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -115.02 140.23 25.31 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.607 0.718 . . . . 61.22 110.896 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 167.85 23.24 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.652 2.235 . . . . 74.3 112.352 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 82.0 mt -96.6 95.2 7.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 75.44 110.889 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -163.47 -174.73 3.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 73.2 111.108 179.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -56.37 -66.43 0.44 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 72.14 110.896 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.5 mp -119.37 82.03 23.52 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.666 0.746 . . . . 74.32 111.125 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 170.08 17.39 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.671 2.247 . . . . 71.4 112.368 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -143.88 130.91 20.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 74.42 110.903 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 55.5 m -51.26 142.56 12.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 45.3 110.848 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -160.84 147.24 15.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 71.21 110.847 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 66.3 mmtt -50.99 118.76 3.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 73.32 110.936 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -52.89 118.1 3.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.219 -0.446 . . . . 75.32 110.917 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 20.4 ttp85 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.1 -0.5 . . . . 72.25 110.918 179.99 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.484 -0.246 . . . . 52.14 112.484 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -71.38 -178.99 2.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.911 0.386 . . . . 71.04 110.795 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 27.5 p -172.02 167.25 6.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.482 . . . . 75.44 110.853 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -97.52 147.35 24.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 73.24 111.083 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.33 175.37 10.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 71.54 110.915 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 52.0 tt0 -63.92 129.91 41.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 72.32 110.937 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.51 -28.68 9.52 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.694 -0.765 . . . . 63.23 112.492 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -66.28 159.19 27.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.924 0.392 . . . . 40.01 110.878 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 23.3 t -79.63 149.61 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 75.45 111.121 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 17.2 p -113.11 143.09 44.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 70.4 110.845 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 61.9 p -135.63 177.89 7.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 73.1 110.894 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 66.4 p-90 -55.63 -35.26 65.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.182 -0.463 . . . . 75.21 110.866 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -95.85 -24.87 14.2 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.749 -0.738 . . . . 54.21 112.467 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.69 106.68 17.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.859 0.361 . . . . 72.31 110.904 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -106.93 133.3 51.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 74.44 110.864 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -52.18 140.22 21.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 52.44 110.873 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 41.2 m -57.78 -35.53 70.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 64.24 110.915 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -117.8 79.14 1.32 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 63.51 110.87 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 95.9 mt -71.61 -34.3 69.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 73.35 110.935 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -57.82 -35.56 71.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 70.41 110.851 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -92.85 -58.27 2.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 73.55 110.887 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -94.45 144.17 25.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 74.53 110.889 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 6.6 p90 -128.49 176.01 8.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 73.03 110.871 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 89.3 m -114.7 91.54 25.91 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.632 0.73 . . . . 74.31 110.854 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 145.69 58.17 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.705 2.27 . . . . 72.23 112.361 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 5.8 tpt -65.04 107.25 1.46 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 72.13 110.903 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -163.63 172.45 14.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.2 -0.454 . . . . 73.53 110.891 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -51.21 -57.4 8.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 74.13 110.844 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.9 mp -124.16 102.18 34.25 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.644 0.735 . . . . 73.41 111.141 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 126.79 13.72 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.688 2.258 . . . . 74.43 112.344 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 26.1 m80 -122.04 156.36 33.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 71.44 110.876 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 34.1 m -87.21 71.33 10.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 70.21 110.879 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.2 ttmt -115.02 130.8 57.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 75.42 110.957 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 24.8 ttmt -51.73 153.04 2.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 74.4 110.891 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -51.68 157.95 1.05 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 64.42 110.979 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 33.8 mtmt -55.27 159.93 3.88 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.538 0.685 . . . . 71.51 110.951 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 166.06 28.91 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.678 2.252 . . . . 72.1 112.328 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -57.86 141.97 47.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 74.33 110.919 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 58.6 t -73.48 133.29 80.49 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.617 0.723 . . . . 54.12 111.117 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 157.6 59.83 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.663 2.242 . . . . 75.3 112.387 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 28.9 t -71.67 139.96 18.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 74.45 111.158 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.7 p -62.28 156.0 23.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 74.42 111.134 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.3 p -82.41 -177.29 6.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 74.12 111.159 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 63.3 p -69.39 142.54 53.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 64.42 110.826 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -89.14 133.27 34.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 74.02 110.861 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 32.6 t30 -150.65 122.94 8.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 55.21 110.908 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 21.3 p -62.17 159.13 15.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 71.14 110.867 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -77.81 112.8 15.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 74.24 111.132 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.5 ptmt -76.4 167.19 22.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 73.53 110.899 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 63.1 tt0 -51.59 128.2 22.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 70.12 110.867 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 103.26 -29.8 11.66 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.736 -0.745 . . . . 64.44 112.482 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -64.27 155.7 31.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.861 0.362 . . . . 71.1 110.916 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.8 t -90.54 149.93 3.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 74.12 111.124 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 34.3 m -116.35 143.81 45.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 74.13 110.861 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 151.97 -33.66 0.87 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.757 -0.735 . . . . 73.11 112.493 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 86.1 m95 -90.84 46.92 1.36 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.781 0.324 . . . . 72.02 110.892 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 64.07 32.66 84.94 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.739 -0.744 . . . . 64.04 112.442 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.65 119.54 39.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.889 0.376 . . . . 74.01 110.874 -179.755 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.5 mmmm -102.55 135.63 43.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.467 . . . . 75.31 110.905 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 72.0 m -58.85 152.61 18.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 74.52 110.82 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 20.2 m -68.16 167.18 14.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 73.1 110.867 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 41.0 m80 -51.85 128.84 25.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.463 . . . . 72.34 110.88 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 96.14 -23.19 35.75 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.774 -0.727 . . . . 71.22 112.502 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 20.1 mt -102.22 160.45 14.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.801 0.334 . . . . 75.11 110.932 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -153.48 159.97 42.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 73.42 110.843 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -116.21 131.5 23.76 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.654 0.74 . . . . 63.23 110.854 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 167.01 25.78 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.631 2.221 . . . . 75.04 112.35 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -97.18 95.35 7.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 62.22 110.944 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -159.59 -174.49 4.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 74.31 111.127 179.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -52.19 -65.77 0.5 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 71.11 110.885 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 4.0 mp -127.75 83.0 67.27 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.631 0.729 . . . . 75.24 111.131 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 169.8 17.98 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.659 2.239 . . . . 75.13 112.389 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -143.79 131.24 21.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 71.12 110.926 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 56.0 m -51.43 137.01 24.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 75.34 110.871 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -157.18 146.55 20.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.485 . . . . 72.5 110.885 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.9 mmmp? -51.62 118.8 3.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 74.13 110.923 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -55.33 129.77 39.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 74.44 110.973 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 16.4 mmt180 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 71.13 110.878 -179.977 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.475 -0.25 . . . . 74.42 112.475 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -139.13 153.58 47.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.841 0.353 . . . . 64.41 110.888 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 30.3 p -172.04 170.88 5.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 72.54 110.851 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -99.47 114.4 27.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 64.23 111.108 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.9 tttm -58.2 173.88 0.32 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 74.21 110.884 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 70.8 tt0 -58.54 125.27 22.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 64.24 110.895 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.72 -28.8 9.44 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.709 -0.758 . . . . 73.04 112.467 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -59.54 161.03 6.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.838 0.351 . . . . 64.1 110.937 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 90.5 t -79.18 144.34 11.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 72.32 111.144 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 22.7 p -117.78 137.63 52.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 74.23 110.886 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 93.7 p -140.45 -170.03 2.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 61.51 110.845 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 69.9 p-90 -64.19 -35.53 81.1 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.105 -0.498 . . . . 74.25 110.925 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -93.02 -24.88 21.47 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.687 -0.768 . . . . 60.24 112.481 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.0 tppt? -103.76 114.05 28.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.861 0.362 . . . . 73.45 110.889 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.23 129.84 48.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 72.35 110.873 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.6 t -58.04 136.34 57.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 73.35 110.92 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 40.5 m -58.16 -36.06 72.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 75.34 110.91 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -120.15 77.22 1.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 72.52 110.869 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 82.7 mt -67.19 -34.7 78.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 74.43 110.96 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -58.37 -35.91 72.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 75.15 110.877 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.6 m-80 -92.79 -58.61 2.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 74.2 110.861 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -94.49 146.08 24.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 71.54 110.853 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 19.7 p90 -124.35 170.8 10.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.488 . . . . 74.32 110.924 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -109.15 87.41 4.8 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.61 0.719 . . . . 72.2 110.903 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 167.2 25.11 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.706 2.271 . . . . 72.11 112.32 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 4.8 tpt -95.7 106.64 18.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 74.21 110.902 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -163.39 177.2 9.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 54.21 110.875 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -51.59 -57.03 10.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 75.35 110.857 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.4 mp -123.92 102.29 34.9 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.618 0.723 . . . . 72.31 111.115 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 138.84 38.79 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.673 2.249 . . . . 73.41 112.369 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 35.6 m80 -134.82 165.79 24.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 73.24 110.849 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 34.1 m -100.39 81.08 2.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 74.42 110.905 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 43.4 mmtt -113.33 145.94 40.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.458 . . . . 74.34 110.93 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.3 ptpt -68.97 147.31 51.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 74.22 110.873 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -51.89 151.7 3.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 75.34 110.95 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 20.3 mttp -52.03 159.88 1.32 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.546 0.689 . . . . 74.43 110.919 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 166.02 29.01 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.694 2.263 . . . . 74.42 112.357 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -66.37 153.83 41.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 72.2 110.892 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 58.1 t -72.61 133.34 82.71 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.608 0.718 . . . . 74.11 111.106 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 162.45 42.06 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.694 2.263 . . . . 64.43 112.362 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.9 t -73.6 149.21 8.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 73.14 111.154 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.9 t -52.47 148.2 7.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 74.52 111.155 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 64.14 36.65 9.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 65.04 111.129 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.4 p -86.63 156.56 19.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 73.1 110.875 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -96.02 119.17 34.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 73.5 110.842 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -164.71 140.3 5.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 74.32 110.892 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 18.0 p -62.19 161.72 10.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 73.42 110.878 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.01 112.67 17.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 74.41 111.095 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.6 ptmm? -76.55 168.89 19.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 72.53 110.867 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -51.71 125.8 15.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 75.2 110.923 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 104.7 -29.65 11.46 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.771 -0.728 . . . . 74.54 112.505 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -63.12 153.87 32.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.878 0.371 . . . . 74.44 110.853 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 22.0 t -89.61 149.84 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 72.35 111.093 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 28.1 m -116.49 159.49 21.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 75.34 110.852 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 124.86 -33.32 3.75 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.729 -0.748 . . . . 71.13 112.489 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 43.5 m95 -98.3 56.21 1.16 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.723 0.297 . . . . 75.25 110.881 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 63.71 32.78 85.31 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.728 -0.749 . . . . 63.3 112.451 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -116.95 116.44 27.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.894 0.378 . . . . 73.12 110.824 -179.712 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -108.08 130.43 55.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 70.22 110.858 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 82.3 m -57.84 151.34 18.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 73.23 110.85 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 20.7 m -71.2 170.51 12.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 74.4 110.853 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.7 t-160 -55.16 125.01 18.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 74.24 110.886 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 100.05 -23.17 37.01 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.759 -0.734 . . . . 64.22 112.521 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 11.2 mt -99.56 160.49 14.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.759 0.314 . . . . 73.32 110.955 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -151.56 159.41 44.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.46 . . . . 71.45 110.848 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -117.2 131.5 23.98 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.61 0.719 . . . . 62.45 110.942 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 166.94 25.84 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.695 2.263 . . . . 73.01 112.326 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 8.8 mp -97.04 95.18 7.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 75.43 110.898 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -159.71 -174.72 4.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 75.53 111.094 179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 43.7 m-85 -52.38 -65.9 0.48 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 75.11 110.88 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 4.0 mp -127.03 82.92 67.23 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.659 0.742 . . . . 73.35 111.159 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 169.82 17.98 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.708 2.272 . . . . 74.42 112.318 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -143.32 132.21 22.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 72.12 110.916 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 55.7 m -51.64 140.2 19.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 64.43 110.897 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -158.48 141.63 14.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 72.13 110.927 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 24.8 mmtp -51.27 118.97 3.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.454 . . . . 73.5 110.885 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -53.58 127.76 26.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 74.24 110.913 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 26.1 ttm180 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 73.11 110.821 -179.948 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.457 -0.257 . . . . 62.43 112.457 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -144.75 168.73 19.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.841 0.353 . . . . 72.34 110.866 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 28.2 p -171.99 173.24 4.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 73.04 110.869 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -105.56 119.28 38.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 74.43 111.084 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.84 174.98 0.22 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 73.44 110.933 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -70.27 137.24 50.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 74.32 110.885 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.64 -28.62 9.77 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.746 -0.74 . . . . 72.14 112.525 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -73.43 161.03 30.89 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.891 0.377 . . . . 71.03 110.878 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.4 t -78.13 150.17 5.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 73.04 111.117 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 20.4 p -112.4 143.17 43.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 72.15 110.868 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 66.8 p -134.68 -173.91 3.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 75.21 110.83 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 51.5 t90 -67.62 -40.47 84.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.131 -0.486 . . . . 70.01 110.898 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -86.62 -24.9 37.28 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.78 -0.724 . . . . 65.35 112.471 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.7 tppt? -103.59 114.24 28.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.8 0.333 . . . . 75.21 110.904 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? -105.6 127.65 53.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 73.3 110.886 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.9 t -51.63 141.28 16.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 62.3 110.897 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 37.6 m -59.68 -36.05 75.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 60.05 110.862 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -119.49 76.57 1.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 73.42 110.841 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 94.5 mt -67.45 -35.67 79.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.456 . . . . 75.4 110.906 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -57.74 -36.05 71.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 60.31 110.885 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.3 m-20 -91.92 -58.33 2.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 72.0 110.862 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -94.59 142.75 27.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 74.12 110.88 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 10.2 p90 -130.17 176.46 8.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.469 . . . . 71.33 110.899 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 85.1 m -108.77 87.85 4.82 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.612 0.72 . . . . 74.3 110.889 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 165.69 30.11 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.665 2.244 . . . . 73.41 112.354 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 33.8 mmt -82.45 103.01 11.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 73.03 110.856 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 21.2 pt-20 -163.35 172.13 15.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 71.43 110.857 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -51.95 -57.3 9.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 74.12 110.85 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.8 mp -123.88 102.14 35.19 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.617 0.722 . . . . 75.41 111.118 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 121.51 8.19 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.666 2.244 . . . . 75.13 112.373 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 23.6 m80 -114.59 157.73 22.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 73.3 110.86 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 34.6 m -84.89 75.63 10.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 63.4 110.876 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -113.4 147.19 38.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 64.32 110.915 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -64.42 151.05 45.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 75.23 110.9 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 30.6 m-85 -52.06 153.52 2.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.25 -0.432 . . . . 75.42 110.891 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 31.7 mtpt -52.83 159.94 1.63 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.525 0.678 . . . . 75.41 110.917 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 166.0 29.15 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.656 2.238 . . . . 73.21 112.332 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -52.0 145.19 10.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 74.32 110.939 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 58.4 t -71.43 133.26 85.2 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.63 0.728 . . . . 75.45 111.158 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 162.03 43.64 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.686 2.257 . . . . 73.11 112.371 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 38.9 t -55.12 138.24 15.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 62.32 111.1 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.5 p -120.48 162.37 19.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.473 . . . . 72.33 111.155 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.3 p -55.58 170.98 0.22 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 75.5 111.165 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 10.3 p -71.38 147.52 47.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 70.25 110.825 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -99.93 159.96 14.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.487 . . . . 74.11 110.898 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -153.96 116.87 4.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 71.04 110.881 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 18.1 p -61.75 160.56 11.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 73.2 110.905 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.3 113.31 17.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 64.32 111.117 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -76.66 168.29 20.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 72.34 110.853 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -51.63 127.58 20.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 73.4 110.88 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 103.71 -29.92 11.27 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.688 -0.768 . . . . 73.42 112.473 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -63.85 154.93 32.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.916 0.388 . . . . 75.04 110.872 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.8 t -90.07 150.13 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 73.11 111.142 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 26.9 m -116.78 153.75 31.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 73.02 110.883 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 131.74 -33.34 2.75 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.73 -0.748 . . . . 64.21 112.456 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 11.8 m95 -97.36 55.69 1.29 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.871 0.367 . . . . 72.45 110.933 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 63.52 32.6 84.71 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.711 -0.757 . . . . 72.52 112.56 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.02 116.47 27.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.916 0.388 . . . . 73.42 110.857 -179.726 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -107.82 132.47 53.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 72.24 110.903 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 75.8 m -58.36 151.26 20.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 62.53 110.876 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 17.3 m -70.03 170.73 10.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 73.44 110.844 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 7.3 m170 -56.15 124.97 19.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 74.44 110.867 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 101.11 -23.39 35.65 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.7 -0.762 . . . . 73.25 112.458 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 13.1 mt -101.57 160.04 14.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.85 0.357 . . . . 74.5 110.86 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -150.36 160.9 43.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 74.55 110.832 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -117.29 132.07 23.71 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.607 0.718 . . . . 73.13 110.875 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 166.99 25.79 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.707 2.271 . . . . 74.43 112.329 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 8.8 mp -97.46 95.39 7.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 75.24 110.905 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -159.15 -174.63 4.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 73.02 111.079 179.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -52.92 -63.86 1.01 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 73.31 110.89 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 4.1 mp -128.97 82.74 68.12 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.657 0.741 . . . . 75.32 111.153 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.65 169.73 18.1 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.695 2.263 . . . . 74.44 112.396 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -143.45 132.13 22.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 63.24 110.916 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 54.9 m -51.6 136.48 26.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 64.21 110.882 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -156.23 145.87 20.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 72.21 110.885 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 22.1 mmtp -51.17 118.95 3.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 75.42 110.927 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -55.91 133.29 51.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 74.33 110.906 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 63.5 ttt-85 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 74.53 110.905 179.998 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.487 -0.245 . . . . 64.34 112.487 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -75.93 -176.91 3.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.859 0.362 . . . . 73.4 110.879 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.6 p -171.97 145.54 1.87 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 74.1 110.856 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -74.94 135.66 41.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 73.23 111.104 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 16.4 mtmm -58.2 171.62 0.54 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 73.24 110.86 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 63.8 tt0 -64.21 121.87 15.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 74.32 110.847 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.65 -28.71 9.59 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.761 -0.733 . . . . 50.14 112.497 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -62.64 152.67 34.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.888 0.375 . . . . 65.42 110.928 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 58.6 t -66.19 142.51 16.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 74.14 111.163 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 8.8 p -120.55 137.45 54.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 73.11 110.859 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 89.4 p -111.86 -170.2 1.61 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 73.34 110.89 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 7.8 t90 -64.07 -37.52 87.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 74.35 110.91 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -91.69 -24.83 24.64 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.759 -0.734 . . . . 74.21 112.493 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.8 tttt -103.76 113.81 27.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.825 0.345 . . . . 73.52 110.897 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.6 164.21 12.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 73.42 110.851 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 59.6 m -73.45 132.75 43.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 73.32 110.896 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 79.4 m -52.1 -36.14 50.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 75.21 110.889 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 -112.56 97.05 6.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 74.31 110.882 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 70.8 mt -79.46 -35.87 39.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 73.22 110.915 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -59.18 -36.09 74.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 61.43 110.855 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 60.0 m-80 -98.83 -59.87 1.65 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 72.2 110.878 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -94.7 170.81 9.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 75.45 110.89 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 6.1 p90 -162.1 172.53 15.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 64.42 110.875 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -108.89 88.6 5.6 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.633 0.73 . . . . 73.44 110.918 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 159.84 51.93 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.668 2.245 . . . . 61.24 112.335 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 42.6 tpp -91.29 105.53 17.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 73.23 110.882 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -163.39 -178.7 6.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 75.14 110.903 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -51.39 -53.74 33.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 75.44 110.878 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.7 mp -123.92 102.1 35.12 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.6 0.714 . . . . 73.43 111.1 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 121.62 8.3 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.622 2.215 . . . . 70.42 112.333 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 34.3 m80 -115.02 169.13 9.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 75.14 110.848 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 34.6 m -107.2 63.45 0.63 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 63.32 110.882 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.32 168.0 10.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 75.22 110.926 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 34.3 mtmt -73.68 158.6 34.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 71.44 110.895 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -51.85 149.23 5.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.43 . . . . 73.44 110.941 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.85 157.6 44.31 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.541 0.686 . . . . 72.42 110.93 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 125.08 11.71 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.655 2.237 . . . . 74.51 112.334 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 -53.28 150.43 6.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 74.13 110.942 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 58.2 t -125.77 133.32 24.79 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.622 0.725 . . . . 75.44 111.13 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.87 126.92 13.8 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.63 2.22 . . . . 74.54 112.348 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 30.2 t -98.61 145.87 9.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 62.34 111.122 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -52.08 162.34 0.49 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 75.3 111.131 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 64.09 36.51 9.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 72.11 111.119 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 15.6 p -89.07 165.41 14.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 72.24 110.854 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -70.66 137.63 50.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.098 -0.501 . . . . 74.41 110.892 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 16.4 t30 -174.72 157.16 2.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 65.03 110.877 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 26.4 p -62.21 150.91 37.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 71.42 110.892 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.17 110.57 8.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 54.23 111.087 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.7 ptpp? -75.28 168.95 19.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 74.23 110.885 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 49.1 tt0 -52.01 127.39 21.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 74.44 110.852 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 103.99 -29.71 11.59 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.734 -0.746 . . . . 75.03 112.503 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -63.35 154.99 30.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.902 0.382 . . . . 73.11 110.885 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.7 t -92.49 149.35 4.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 74.44 111.113 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 20.5 m -116.39 142.22 47.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 64.02 110.875 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 164.8 -31.46 0.24 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.767 -0.73 . . . . 65.22 112.49 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 81.7 m95 -92.91 40.79 1.06 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.79 0.329 . . . . 75.02 110.937 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 63.46 32.9 85.72 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.717 -0.754 . . . . 70.32 112.545 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.1 m -106.5 116.14 31.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.973 0.416 . . . . 74.31 110.871 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.9 mtpt -82.56 157.44 23.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 73.41 110.874 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 69.8 m -80.94 141.84 34.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 72.2 110.897 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 89.3 m -51.6 167.14 0.11 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 75.12 110.897 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 13.3 m80 -55.96 127.01 28.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 71.5 110.876 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 87.43 18.89 56.28 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.76 -0.733 . . . . 74.41 112.493 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 32.5 mt -141.07 160.09 40.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.82 0.343 . . . . 74.33 110.937 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -153.35 162.28 41.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 74.02 110.835 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -116.26 131.04 24.01 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.627 0.727 . . . . 64.22 110.83 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 166.98 25.74 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.735 2.29 . . . . 74.33 112.342 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 15.9 mt -96.69 95.4 7.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 63.12 110.931 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -160.1 -174.73 4.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 64.13 111.118 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -52.59 -66.12 0.44 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 64.35 110.895 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.6 mp -126.62 82.8 66.22 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.601 0.715 . . . . 75.24 111.096 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 169.72 18.29 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.715 2.277 . . . . 74.31 112.345 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 38.5 m-85 -144.63 131.01 19.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 74.54 110.93 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 55.8 m -51.61 134.52 29.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.098 -0.501 . . . . 72.31 110.857 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.2 pt-20 -155.17 158.66 39.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 75.52 110.916 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 5.7 mmmm -51.47 118.77 3.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.131 -0.486 . . . . 75.23 110.883 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -54.12 117.77 3.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.26 -0.427 . . . . 65.32 110.93 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.48 . . . . 73.23 110.863 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 29.6 p . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.887 0.375 . . . . 75.34 110.827 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -83.6 132.7 34.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 73.24 111.062 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.8 mmmm -59.65 175.0 0.39 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 73.32 110.905 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 62.1 tt0 -69.18 123.64 21.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 74.43 110.902 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.78 -28.7 9.71 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.684 -0.77 . . . . 31.22 112.511 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -65.03 159.91 22.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.912 0.387 . . . . 75.42 110.862 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 t -72.63 150.01 8.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 74.32 111.126 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 17.6 p -122.31 142.79 50.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 72.3 110.877 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 91.6 p -123.74 -173.85 2.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 75.21 110.92 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 72.0 t90 -60.04 -38.94 84.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.175 -0.466 . . . . 71.54 110.898 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -92.76 -24.86 22.15 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.772 -0.727 . . . . 64.31 112.464 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.62 106.97 17.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.825 0.345 . . . . 74.3 110.888 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -105.81 144.97 31.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.292 -0.413 . . . . 73.54 110.905 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 61.1 m -52.18 132.43 33.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 64.15 110.871 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 66.9 m -52.18 -36.3 51.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 71.34 110.854 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -113.52 99.39 7.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.471 . . . . 71.02 110.884 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 46.6 mt -79.58 -36.54 38.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 75.41 110.897 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -61.94 -37.05 83.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 64.33 110.863 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -94.26 -58.65 2.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 73.15 110.902 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -97.53 162.01 13.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 73.23 110.896 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -153.09 176.83 11.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 75.13 110.914 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 98.2 m -108.36 88.67 5.15 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.607 0.717 . . . . 71.13 110.883 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 149.21 66.92 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.74 2.293 . . . . 72.33 112.378 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 27.9 ttm -79.93 104.61 10.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 70.24 110.909 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -163.3 -179.24 6.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 72.03 110.865 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.503 ' HB2' HD12 ' A' ' 29' ' ' ILE . 94.7 m-85 -51.99 -55.92 17.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 74.52 110.879 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.503 HD12 ' HB2' ' A' ' 28' ' ' PHE . 3.9 mp -123.83 102.14 35.35 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.628 0.728 . . . . 75.44 111.105 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 121.45 8.14 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.678 2.252 . . . . 61.33 112.338 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 33.3 m80 -114.12 169.38 9.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 74.12 110.799 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 68.8 m -105.19 65.57 0.73 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 72.31 110.856 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.88 165.75 12.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 73.15 110.876 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.5 ttmt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 75.53 110.886 179.875 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 16.9 p . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.775 0.321 . . . . 70.21 110.894 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.69 112.26 11.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 73.44 111.147 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -76.91 167.79 21.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 74.44 110.873 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 16.6 tm-20 -51.53 128.19 22.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 70.44 110.879 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 102.55 -29.81 11.72 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.721 -0.752 . . . . 54.33 112.494 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -63.28 154.8 30.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.928 0.394 . . . . 73.42 110.877 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 23.3 t -89.22 149.59 3.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.118 -0.492 . . . . 71.41 111.128 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 34.7 m -116.91 151.61 36.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.448 . . . . 74.12 110.897 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 141.54 -33.49 1.97 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.755 -0.736 . . . . 74.1 112.467 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 19.4 m-90 -94.57 51.48 1.43 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.882 0.372 . . . . 74.32 110.948 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 63.79 32.53 84.49 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.741 -0.742 . . . . 72.11 112.517 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.37 119.44 39.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.976 0.417 . . . . 72.54 110.844 -179.698 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -106.68 127.87 53.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 71.51 110.93 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 72.4 m -55.19 150.08 11.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 72.44 110.868 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 22.1 m -66.68 166.89 12.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 71.13 110.859 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 9.4 p80 -52.14 128.72 25.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 74.41 110.849 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 96.78 -23.27 36.17 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.779 -0.724 . . . . 71.13 112.49 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.602 HD21 ' HE3' ' A' ' 76' ' ' LYS . 13.2 mt -102.96 160.21 14.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.777 0.322 . . . . 50.23 110.929 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -153.18 161.47 42.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.462 . . . . 65.45 110.885 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -115.79 133.69 22.8 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.615 0.722 . . . . 74.13 110.901 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 167.26 25.04 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.703 2.269 . . . . 75.4 112.358 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -97.2 95.19 7.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 70.33 110.921 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -160.07 -174.58 4.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 63.2 111.143 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -52.91 -66.02 0.46 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 55.44 110.84 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.6 mp -126.2 82.71 65.0 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.59 0.71 . . . . 71.14 111.1 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 169.83 18.01 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.663 2.242 . . . . 74.41 112.303 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -143.85 131.29 21.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 73.53 110.95 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 54.3 m -51.2 137.38 22.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 70.11 110.899 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -157.89 147.16 19.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 70.14 110.843 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.602 ' HE3' HD21 ' A' ' 64' ' ' LEU . 27.1 mmtp -51.53 118.87 3.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 70.2 110.871 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 32.0 t80 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 75.3 110.944 -179.985 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 28.0 p . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.834 0.35 . . . . 62.12 110.896 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -89.55 127.68 35.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 43.23 111.124 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 52.3 mtpt -65.26 171.15 4.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 73.32 110.912 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -63.01 121.74 14.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 75.52 110.9 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.75 -28.72 9.66 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.747 -0.739 . . . . 53.22 112.493 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -61.1 161.02 9.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.873 0.368 . . . . 74.35 110.92 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.3 t -75.81 150.51 6.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 64.31 111.113 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.3 p -116.82 142.16 47.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 54.24 110.884 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 97.7 p -137.38 -174.55 3.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 55.14 110.859 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 69.9 p-90 -63.12 -37.9 89.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.117 -0.492 . . . . 73.21 110.927 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -87.63 -24.81 34.67 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.707 -0.758 . . . . 72.03 112.487 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.63 108.9 20.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.869 0.366 . . . . 74.22 110.915 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 34.4 mttp -107.26 125.89 51.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 71.14 110.893 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.601 ' HB3' HD23 ' A' ' 19' ' ' LEU . 0.7 OUTLIER -51.97 134.05 32.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 74.02 110.839 179.934 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -59.82 -35.97 75.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.094 -0.503 . . . . 74.41 110.904 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -118.62 78.68 1.29 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 53.41 110.849 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.601 HD23 ' HB3' ' A' ' 16' ' ' CYS . 57.2 mt -67.39 -35.25 78.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.45 . . . . 65.51 110.938 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -59.04 -35.86 74.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 75.25 110.851 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -90.81 -56.7 3.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 70.3 110.903 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -94.69 138.75 32.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 74.1 110.854 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 5.2 p90 -131.8 159.51 38.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 71.23 110.893 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 76.9 m -108.73 88.87 5.68 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.606 0.717 . . . . 51.34 110.862 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 165.24 31.63 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.691 2.261 . . . . 71.41 112.333 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 87.2 mmm -69.44 106.13 2.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 73.34 110.876 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -163.39 165.44 23.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 72.41 110.873 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -51.88 -56.37 14.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 74.34 110.891 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.425 ' HA ' ' HD2' ' A' ' 30' ' ' PRO . 3.7 mp -123.86 102.24 35.15 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.614 0.721 . . . . 73.34 111.137 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.425 ' HD2' ' HA ' ' A' ' 29' ' ' ILE . 53.9 Cg_endo -69.74 142.03 46.92 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.709 2.273 . . . . 71.02 112.357 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 32.9 m80 -136.9 144.46 43.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 63.32 110.895 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 34.7 m -71.69 81.24 0.85 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.443 . . . . 65.42 110.882 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.87 146.93 39.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 74.13 110.86 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 18.1 mtpt . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 63.24 110.9 179.853 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 17.4 p . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.848 0.356 . . . . 64.35 110.919 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.45 110.46 5.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 52.21 111.095 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 46.3 pttt -78.11 163.88 25.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 74.22 110.933 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -50.21 123.75 9.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 71.01 110.893 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 109.95 -29.72 9.04 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.755 -0.736 . . . . 74.23 112.473 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -66.63 150.05 49.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.924 0.392 . . . . 73.41 110.873 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.442 HG11 HG23 ' A' ' 71' ' ' ILE . 35.7 t -82.76 148.59 5.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 72.41 111.104 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 26.9 m -119.75 172.69 7.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 75.13 110.892 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 128.06 -49.76 0.91 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.776 -0.726 . . . . 60.4 112.511 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 82.8 m95 -82.55 56.09 3.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.852 0.358 . . . . 73.53 110.938 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 63.56 32.65 84.86 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.741 -0.742 . . . . 71.02 112.457 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.6 m -103.31 116.83 33.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.916 0.389 . . . . 70.12 110.856 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -107.93 118.61 37.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.104 -0.498 . . . . 73.51 110.898 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 79.6 m -51.9 154.62 2.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 71.23 110.874 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 52.9 m -57.55 161.9 3.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 71.11 110.879 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 13.8 p80 -52.36 116.35 2.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 71.14 110.856 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 109.35 -23.27 23.09 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.728 -0.748 . . . . 70.34 112.445 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.427 HD23 ' C ' ' A' ' 75' ' ' GLU . 11.6 mt -102.54 153.69 19.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.797 0.332 . . . . 73.05 110.932 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -144.01 163.81 32.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 73.42 110.896 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -114.65 141.09 26.16 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.622 0.725 . . . . 75.32 110.831 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 167.88 23.1 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.696 2.264 . . . . 72.34 112.36 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 29.3 mt -96.37 95.07 7.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 74.13 110.911 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -163.6 -174.77 3.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 31.13 111.091 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -56.81 -66.55 0.43 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 64.23 110.848 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.442 HG23 HG11 ' A' ' 53' ' ' VAL . 3.5 mp -118.63 82.02 19.27 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.62 0.724 . . . . 72.24 111.109 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 169.83 17.94 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.652 2.234 . . . . 75.53 112.345 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -143.86 130.67 20.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 63.02 110.891 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 58.6 m -51.5 139.21 20.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 64.2 110.855 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.427 ' C ' HD23 ' A' ' 64' ' ' LEU . 8.3 pt-20 -157.94 160.64 37.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 53.2 110.876 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 30.8 mmtp -51.8 118.86 3.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 62.35 110.946 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 88.9 t80 . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.289 -0.414 . . . . 72.51 110.917 -179.936 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 24.5 p . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.86 0.362 . . . . 71.14 110.928 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.665 ' HB2' ' HG2' ' A' ' 14' ' ' LYS . . . -96.87 159.52 14.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 73.11 111.111 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 20.4 mttp -78.81 174.58 11.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 73.5 110.877 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 62.4 tt0 -70.39 119.77 15.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 75.43 110.888 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.69 -28.67 9.7 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.756 -0.735 . . . . 42.21 112.524 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -60.65 156.02 17.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.912 0.387 . . . . 54.24 110.842 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.4 t -72.69 150.46 8.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.475 . . . . 75.45 111.148 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 31.9 p -116.38 137.52 52.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 70.33 110.88 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 94.9 p -116.8 -171.55 2.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 74.24 110.84 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 32.3 t90 -61.06 -36.61 80.07 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.1 -0.5 . . . . 74.12 110.911 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -95.28 -24.89 15.22 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.754 -0.736 . . . . 75.23 112.502 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.665 ' HG2' ' HB2' ' A' ' 4' ' ' ALA . 1.5 ttpt -103.03 108.41 19.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.889 0.376 . . . . 71.13 110.928 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -107.39 143.68 35.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 73.32 110.872 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 92.2 m -52.07 119.65 4.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 62.34 110.894 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -52.14 -39.32 59.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 74.31 110.902 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -103.17 94.64 5.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 61.21 110.842 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 71.4 mt -82.04 -37.49 26.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 74.22 110.869 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -59.58 -36.11 75.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 75.0 110.893 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -99.26 -59.06 1.79 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 71.13 110.85 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -95.07 170.79 9.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 74.23 110.913 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -166.12 176.83 7.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 73.22 110.879 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 90.1 m -108.36 88.75 5.22 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.653 0.739 . . . . 74.34 110.911 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 158.25 57.56 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.707 2.271 . . . . 42.11 112.312 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 17.8 ttm -81.17 102.36 10.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 75.51 110.896 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -163.32 176.75 9.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 53.02 110.876 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.415 ' HB2' HD12 ' A' ' 29' ' ' ILE . 97.4 m-85 -51.95 -57.09 10.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 74.4 110.896 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.415 HD12 ' HB2' ' A' ' 28' ' ' PHE . 3.8 mp -123.84 102.13 35.35 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.577 0.703 . . . . 74.41 111.139 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 29' ' ' ILE . 53.6 Cg_endo -69.76 121.43 8.12 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.672 2.248 . . . . 75.54 112.325 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 31.6 m80 -114.2 143.61 44.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 74.4 110.86 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 82.4 m -76.92 64.47 2.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 54.4 110.882 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.1 ptpt -113.38 168.49 9.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 55.51 110.902 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.2 mtpm? . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 75.02 110.844 179.873 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 6.7 p . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.856 0.36 . . . . 63.11 110.871 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.03 114.38 13.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 73.52 111.11 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.2 ptmm? -77.54 163.76 26.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.266 -0.425 . . . . 71.01 110.915 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 -50.46 124.15 10.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 53.11 110.866 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 109.87 -29.71 9.09 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.745 -0.74 . . . . 75.54 112.507 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -66.58 150.46 48.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.883 0.373 . . . . 64.23 110.861 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.446 ' CG1' HG23 ' A' ' 71' ' ' ILE . 44.6 t -83.48 147.67 5.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 71.11 111.12 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 27.4 m -118.45 178.62 4.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 54.22 110.908 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 111.25 -34.5 5.26 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.699 -0.762 . . . . 74.44 112.501 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 95.6 m95 -89.2 48.96 1.69 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.79 0.328 . . . . 74.52 110.892 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 63.58 32.59 84.66 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.758 -0.734 . . . . 70.21 112.442 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -114.51 121.22 42.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.925 0.393 . . . . 44.41 110.872 -179.748 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.92 132.65 47.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.09 -0.504 . . . . 72.0 110.861 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 85.8 m -58.58 161.44 4.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 73.12 110.874 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.55 ' HB2' HD12 ' A' ' 64' ' ' LEU . 86.0 m -68.85 169.07 12.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.481 . . . . 72.54 110.885 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 9.6 t-160 -56.45 115.59 2.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 71.44 110.871 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 97.34 18.82 27.45 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.714 -0.755 . . . . 71.55 112.516 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.55 HD12 ' HB2' ' A' ' 61' ' ' CYS . 16.2 mt -141.53 149.18 40.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.808 0.337 . . . . 73.54 110.928 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -144.31 164.78 29.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 64.34 110.847 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -114.28 140.06 24.58 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.635 0.731 . . . . 74.31 110.875 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 167.79 23.36 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.647 2.232 . . . . 64.01 112.352 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 44.8 mt -93.67 95.1 8.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 61.25 110.943 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -163.18 -174.64 3.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 70.21 111.105 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.513 ' HB3' HD12 ' A' ' 71' ' ' ILE . 3.9 m-85 -58.29 -66.56 0.46 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 73.31 110.891 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.513 HD12 ' HB3' ' A' ' 70' ' ' PHE . 4.4 mp -118.22 82.04 17.72 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.601 0.715 . . . . 72.34 111.179 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 169.73 18.21 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.645 2.23 . . . . 71.23 112.303 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.401 ' CE1' HG22 ' A' ' 71' ' ' ILE . 33.5 m-85 -143.16 130.55 21.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 53.5 110.923 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 55.7 m -51.3 138.97 20.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.505 . . . . 71.04 110.905 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.438 ' C ' HD23 ' A' ' 64' ' ' LEU . 2.3 pp20? -157.98 156.55 31.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 75.35 110.847 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -51.66 118.85 3.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 74.03 110.925 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 10.1 p90 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 72.04 110.92 -179.911 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 17.3 p . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.86 0.362 . . . . 73.41 110.884 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -91.18 119.81 31.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 62.25 111.146 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.17 175.39 1.28 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 54.52 110.891 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -60.61 116.46 4.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 75.22 110.887 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.57 -28.71 14.62 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.743 -0.741 . . . . 73.22 112.477 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -57.42 160.91 3.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.899 0.38 . . . . 72.52 110.877 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 20.7 t -83.17 150.98 4.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 75.24 111.124 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 17.5 p -111.71 142.68 43.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 72.24 110.918 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 64.6 p -149.41 -179.4 7.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 72.12 110.858 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 34.2 t90 -56.84 -35.55 68.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.139 -0.482 . . . . 71.03 110.923 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -94.17 -24.88 18.16 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.727 -0.749 . . . . 75.23 112.475 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -103.76 106.49 17.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.855 0.359 . . . . 74.32 110.884 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.3 mmpt? -107.77 123.27 48.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 75.23 110.896 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.452 ' HB3' HD23 ' A' ' 19' ' ' LEU . 0.9 OUTLIER -51.91 145.37 10.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 64.11 110.912 179.93 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -64.09 -46.88 82.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 75.35 110.934 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -110.81 77.02 1.01 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 70.35 110.837 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.452 HD23 ' HB3' ' A' ' 16' ' ' CYS . 78.4 mt -62.02 -35.28 78.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.214 -0.448 . . . . 74.44 110.932 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -56.45 -35.96 68.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 75.33 110.912 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 52.8 m-20 -92.5 -55.43 3.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 74.53 110.919 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -94.43 135.92 35.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 75.33 110.902 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 20.6 p90 -129.27 175.68 8.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 74.44 110.966 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 66.6 m -109.22 87.11 4.61 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.573 0.701 . . . . 72.13 110.915 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 158.42 56.95 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.668 2.245 . . . . 73.05 112.332 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 34.0 tpp -70.7 102.99 2.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 71.45 110.891 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -163.67 168.29 20.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 65.53 110.872 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -51.32 -57.08 9.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 75.43 110.884 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.3 mp -124.04 102.29 34.51 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.651 0.738 . . . . 73.34 111.138 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 123.28 9.93 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.663 2.242 . . . . 60.51 112.324 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 23.3 m80 -117.64 151.27 37.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 74.45 110.892 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 34.1 m -71.8 81.16 0.88 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 44.12 110.871 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.1 ttmt -115.6 130.84 57.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 65.22 110.907 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.2 ptpt . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 73.12 110.926 179.859 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 19.3 p . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.872 0.368 . . . . 51.55 110.893 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -78.07 113.42 15.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 73.12 111.111 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 47.3 pttt -76.18 166.79 22.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 73.01 110.898 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -51.6 128.7 23.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.226 -0.443 . . . . 72.42 110.894 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 102.74 -29.84 11.65 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.785 -0.721 . . . . 64.12 112.499 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -63.83 155.81 29.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.874 0.369 . . . . 43.4 110.893 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 22.1 t -90.05 149.45 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 72.43 111.186 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 33.8 m -116.61 143.57 45.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 73.42 110.871 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 154.26 -33.42 0.71 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.765 -0.731 . . . . 45.44 112.539 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 22.7 m-90 -91.53 46.35 1.29 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.802 0.334 . . . . 73.32 110.969 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 64.22 32.67 84.96 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.732 -0.747 . . . . 73.34 112.442 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -109.29 116.89 32.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.961 0.41 . . . . 74.14 110.866 -179.78 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.6 mmmm -99.71 133.42 44.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.092 -0.504 . . . . 62.14 110.908 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 74.2 m -57.8 151.42 17.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 63.11 110.855 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 25.4 m -65.63 167.07 9.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 75.51 110.88 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 5.9 p-80 -52.23 128.39 24.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 75.54 110.894 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 96.8 -23.34 35.87 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.722 -0.752 . . . . 65.33 112.478 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.452 HD23 ' HA ' ' A' ' 76' ' ' LYS . 20.8 mt -102.21 160.5 14.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.805 0.335 . . . . 73.22 110.96 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -153.87 160.31 42.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 54.02 110.885 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -116.24 132.15 23.43 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.638 0.732 . . . . 72.14 110.901 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 167.03 25.6 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.72 2.28 . . . . 62.32 112.342 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -97.12 95.29 7.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 73.42 110.921 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -159.66 -174.4 4.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 74.1 111.04 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -52.18 -65.84 0.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 64.03 110.863 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.9 mp -127.75 82.96 67.35 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.633 0.73 . . . . 75.01 111.111 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 169.83 18.07 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.644 2.23 . . . . 61.55 112.351 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -143.49 131.71 21.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 74.31 110.892 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 55.3 m -51.47 137.51 23.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 62.3 110.881 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -158.09 147.2 19.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 63.42 110.86 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.452 ' HA ' HD23 ' A' ' 64' ' ' LEU . 26.5 mmtp -51.26 118.73 3.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 75.14 110.882 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 16.5 t80 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 73.43 110.982 179.989 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 30.1 p . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.863 0.363 . . . . 65.21 110.827 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -104.91 132.51 51.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 70.41 111.094 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.67 167.8 1.39 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 73.13 110.887 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 59.7 tt0 -63.39 125.34 23.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 51.34 110.87 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.19 -28.78 9.88 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.743 -0.741 . . . . 75.3 112.482 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -62.58 158.64 17.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.904 0.383 . . . . 74.13 110.908 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 59.9 t -73.96 145.93 10.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 73.52 111.083 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 17.6 p -121.2 151.42 39.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 62.41 110.822 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 66.7 p -138.89 -174.52 3.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 72.41 110.869 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 68.9 t90 -57.27 -36.09 70.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.16 -0.473 . . . . 72.12 110.863 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -95.26 -24.84 15.41 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.733 -0.746 . . . . 54.23 112.484 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.7 tppt? -101.7 109.99 21.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.88 0.372 . . . . 74.32 110.849 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.9 mtpp -106.84 134.21 50.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 74.21 110.939 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 80.0 m -51.96 135.11 31.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 71.2 110.882 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 57.5 m -54.24 -43.69 71.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 74.11 110.905 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -103.64 98.27 8.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 65.3 110.828 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 68.0 mt -84.77 -36.19 21.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 74.5 110.943 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -61.98 -36.02 80.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 63.35 110.882 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 19.8 m120 -97.01 -56.69 2.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 71.41 110.9 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -95.9 163.23 13.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 64.14 110.911 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -156.09 176.89 12.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 72.32 110.929 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 98.4 m -108.37 88.71 5.19 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.634 0.731 . . . . 51.33 110.885 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 162.53 41.7 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.683 2.256 . . . . 54.43 112.36 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.4 107.07 16.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 61.32 110.904 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -163.31 172.1 15.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 75.15 110.879 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 51.9 m-85 -52.05 -49.8 62.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 75.13 110.876 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.4 mt -123.74 102.16 35.62 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.592 0.71 . . . . 34.5 111.152 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 121.39 8.08 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.65 2.233 . . . . 64.25 112.343 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 34.9 m170 -111.39 175.98 5.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 74.44 110.834 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 36.4 m -109.15 57.42 0.61 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 74.41 110.915 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 28.0 mtmt -113.39 170.89 7.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 72.25 110.913 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.2 ptpt . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 53.15 110.906 179.858 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 16.7 p . . . . . 0 CA--C 1.526 0.054 0 CA-C-O 120.836 0.35 . . . . 64.31 110.865 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.35 112.08 16.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 54.4 111.096 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 53.9 mttp -76.12 167.84 21.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.447 . . . . 72.13 110.947 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -51.72 129.44 26.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 64.11 110.928 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 101.09 -29.91 11.5 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.76 -0.733 . . . . 72.34 112.513 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 49.8 mm-40 -63.13 153.43 34.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.929 0.395 . . . . 70.41 110.872 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.7 t -87.97 149.91 3.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 71.44 111.145 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 35.6 m -116.44 144.36 44.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 62.1 110.895 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 147.45 -34.07 1.29 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.725 -0.75 . . . . 72.51 112.513 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 88.1 m95 -90.68 49.09 1.61 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.797 0.332 . . . . 74.41 110.883 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 64.06 32.78 85.31 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.716 -0.754 . . . . 23.52 112.472 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -112.11 123.95 51.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.957 0.408 . . . . 61.15 110.83 -179.753 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.9 mmtt -109.51 130.48 55.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.093 -0.503 . . . . 70.45 110.858 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 71.8 m -54.32 151.41 7.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 74.44 110.885 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 18.0 m -68.65 168.83 12.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 74.04 110.875 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 38.1 m-70 -53.74 127.16 24.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 73.2 110.905 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 98.56 -23.31 36.78 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.746 -0.74 . . . . 74.11 112.489 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.437 HD23 ' N ' ' A' ' 76' ' ' LYS . 15.0 mt -102.24 160.51 14.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.824 0.345 . . . . 74.32 110.909 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -152.61 159.12 43.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 73.11 110.84 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -115.54 132.59 23.05 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.621 0.724 . . . . 62.52 110.895 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 166.81 26.34 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.693 2.262 . . . . 62.44 112.359 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -97.04 95.39 7.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 70.05 110.943 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -159.74 -174.71 4.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 74.33 111.094 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -52.27 -65.99 0.46 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 74.42 110.851 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.7 mp -127.19 82.83 67.45 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.626 0.727 . . . . 73.32 111.103 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 169.74 18.23 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.669 2.246 . . . . 72.02 112.324 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -143.39 131.41 21.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 75.35 110.965 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 55.4 m -51.77 137.88 24.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 71.31 110.873 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -158.05 146.66 19.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 62.12 110.919 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.437 ' N ' HD23 ' A' ' 64' ' ' LEU . 61.7 mmtt -51.49 118.88 3.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 72.05 110.928 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 7.9 t80 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 74.11 110.91 -179.926 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.0 p . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.81 0.338 . . . . 60.23 110.896 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -93.85 134.68 35.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 25.55 111.065 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.6 tttm -58.92 162.36 4.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 74.04 110.877 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 61.1 tt0 -61.38 113.72 2.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 73.32 110.859 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.99 -28.66 15.01 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.694 -0.765 . . . . 74.34 112.481 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -60.31 160.22 8.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.847 0.356 . . . . 70.1 110.891 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.5 t -71.44 150.29 9.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 74.34 111.184 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.5 p -119.32 142.2 48.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 53.03 110.826 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.3 p -128.97 -179.0 4.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 71.21 110.887 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 56.2 t90 -57.48 -36.23 71.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 75.01 110.918 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -93.91 -24.8 19.14 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.708 -0.758 . . . . 75.24 112.469 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.6 ttpt -102.41 110.67 22.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.852 0.358 . . . . 73.44 110.901 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.2 mmmm -107.55 150.66 26.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 74.14 110.878 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 27.1 m -73.9 130.41 39.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 70.14 110.864 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -52.21 -45.15 65.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.499 . . . . 65.33 110.866 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -99.14 87.34 3.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 72.55 110.883 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 91.6 mt -79.2 -36.07 40.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 75.13 110.908 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -63.63 -36.03 82.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 64.53 110.859 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -92.5 -56.39 3.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 72.23 110.871 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -99.99 157.08 16.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 73.13 110.864 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -148.97 176.82 10.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.117 -0.492 . . . . 75.12 110.944 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.407 ' HA ' ' HD2' ' A' ' 25' ' ' PRO . 87.9 m -108.32 88.74 5.17 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.632 0.73 . . . . 32.43 110.913 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 24' ' ' CYS . 53.7 Cg_endo -69.74 152.38 69.42 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.705 2.27 . . . . 51.32 112.326 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -74.77 106.94 6.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 53.1 110.875 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -163.3 179.27 7.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.451 . . . . 72.34 110.873 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.433 ' HB2' HD12 ' A' ' 29' ' ' ILE . 54.8 m-85 -51.94 -56.94 11.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 71.42 110.896 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.433 HD12 ' HB2' ' A' ' 28' ' ' PHE . 3.8 mp -123.84 102.21 35.26 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.613 0.72 . . . . 74.45 111.122 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 121.55 8.23 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.676 2.25 . . . . 74.34 112.328 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 30.7 m80 -114.26 169.88 8.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 65.24 110.854 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 84.8 m -97.69 59.39 1.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 53.31 110.932 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.2 ptpt -113.34 170.95 7.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 74.33 110.897 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.3 ptmt . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 70.05 110.897 179.885 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 28.5 p . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.876 0.369 . . . . 71.3 110.866 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -92.79 113.21 25.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 64.42 111.122 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -77.6 168.93 19.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 73.01 110.873 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -51.92 125.81 16.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 52.23 110.889 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 105.43 -30.0 10.57 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.724 -0.75 . . . . 61.15 112.454 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -63.4 155.69 28.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.859 0.361 . . . . 63.1 110.916 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 22.0 t -90.4 149.45 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 51.51 111.137 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 27.9 m -116.8 146.12 43.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 61.44 110.9 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 145.35 -33.53 1.57 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.751 -0.738 . . . . 72.3 112.46 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 83.1 m95 -90.51 47.27 1.41 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.757 0.313 . . . . 75.1 110.9 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 64.05 32.36 83.94 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.789 -0.72 . . . . 51.43 112.446 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.54 120.04 40.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.956 0.408 . . . . 73.31 110.867 -179.792 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.89 135.93 41.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.505 . . . . 72.13 110.863 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 93.6 m -57.34 146.66 28.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 54.53 110.852 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 33.1 m -63.22 170.44 2.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 71.44 110.882 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 17.1 p80 -57.62 123.48 15.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 52.52 110.863 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 93.81 18.67 36.81 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.711 -0.757 . . . . 55.0 112.471 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 13.2 mt -141.7 160.13 40.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.812 0.339 . . . . 74.42 110.941 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -151.23 159.33 44.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 45.1 110.91 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -116.74 133.31 23.06 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.639 0.733 . . . . 73.33 110.887 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 167.12 25.32 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.668 2.245 . . . . 75.25 112.327 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 8.8 mp -97.6 95.54 7.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 63.21 110.912 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -159.37 -174.47 4.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 53.53 111.109 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.402 ' HB2' HD12 ' A' ' 71' ' ' ILE . 22.3 m-85 -53.04 -64.1 0.93 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 74.55 110.856 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.402 HD12 ' HB2' ' A' ' 70' ' ' PHE . 4.3 mp -128.63 82.6 68.3 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.644 0.735 . . . . 75.43 111.138 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 169.76 18.17 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.699 2.266 . . . . 62.41 112.341 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 43.5 m-85 -143.61 132.15 22.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 73.41 110.914 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 54.6 m -51.55 137.49 24.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 70.24 110.908 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -156.08 151.56 26.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 75.23 110.868 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 52.9 mmtt -51.71 119.01 3.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 75.21 110.915 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 17.3 t80 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 73.33 110.901 -179.934 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 27.2 p . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.837 0.351 . . . . 73.35 110.898 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.433 ' HB2' ' HG2' ' A' ' 14' ' ' LYS . . . -96.66 159.85 14.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.462 . . . . 74.55 111.099 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.1 mmmt -77.56 172.88 12.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 63.52 110.851 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 61.8 tt0 -70.53 118.14 12.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 73.34 110.867 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.68 -28.71 9.6 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.713 -0.756 . . . . 44.1 112.481 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 54.3 mm-40 -61.47 148.04 43.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.885 0.374 . . . . 60.12 110.91 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.4 t -62.18 150.47 8.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 73.21 111.151 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.6 p -113.29 141.93 46.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 14.31 110.834 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 77.4 p -114.28 -173.71 2.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 72.11 110.875 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 51.1 t90 -62.77 -35.66 80.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 73.12 110.941 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -99.42 -24.83 9.81 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.704 -0.76 . . . . 43.31 112.472 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.433 ' HG2' ' HB2' ' A' ' 4' ' ' ALA . 0.0 OUTLIER -100.59 106.54 18.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.854 0.359 . . . . 74.12 110.905 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -107.57 157.34 18.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 73.32 110.866 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 56.5 m -57.77 122.74 13.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 63.05 110.87 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -52.23 -36.14 51.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 75.24 110.911 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -114.27 100.2 8.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 75.52 110.854 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 77.2 mt -80.63 -36.34 32.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 74.43 110.905 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -61.88 -36.05 80.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 74.43 110.848 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -96.33 -58.57 2.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 72.24 110.91 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -94.72 164.72 12.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 74.51 110.878 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -164.1 158.65 19.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.492 . . . . 72.12 110.914 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.5 m -111.82 88.46 9.82 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.599 0.714 . . . . 62.53 110.933 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 170.57 16.26 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.737 2.291 . . . . 63.35 112.286 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 18.7 mtp -80.55 108.69 14.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.457 . . . . 55.43 110.884 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 21.1 pt-20 -163.31 178.36 8.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 75.02 110.893 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.47 ' HB2' HD12 ' A' ' 29' ' ' ILE . 95.8 m-85 -52.04 -57.02 10.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 73.34 110.903 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.47 HD12 ' HB2' ' A' ' 28' ' ' PHE . 3.7 mp -123.89 102.12 35.2 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.668 0.747 . . . . 63.23 111.146 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 121.45 8.15 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.68 2.253 . . . . 70.0 112.386 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 23.0 m80 -114.47 176.84 4.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 75.5 110.847 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 85.2 m -115.01 66.41 0.69 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 71.3 110.878 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.1 mtpt -113.49 167.71 10.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 51.14 110.916 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.1 tppt? . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 73.44 110.9 179.888 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 4.9 p . . . . . 0 CA--C 1.527 0.074 0 CA-C-O 120.782 0.325 . . . . 65.14 110.881 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.88 112.17 9.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 72.32 111.077 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 31.0 mttt -76.06 167.94 20.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 74.34 110.899 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -51.68 127.38 20.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 75.3 110.838 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 103.44 -29.8 11.6 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.72 -0.752 . . . . 64.35 112.483 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -63.66 155.23 30.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.881 0.372 . . . . 70.23 110.934 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.4 t -89.32 150.44 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 73.13 111.127 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 34.5 m -116.55 167.76 10.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 70.44 110.839 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 114.52 -34.17 5.04 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.731 -0.747 . . . . 64.21 112.508 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 9.7 m0 -92.3 45.28 1.2 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.81 0.338 . . . . 74.52 110.936 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 70.54 32.61 67.63 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.723 -0.751 . . . . 61.05 112.5 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -116.71 119.39 35.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.941 0.401 . . . . 74.04 110.882 -179.717 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.87 135.64 46.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 74.24 110.906 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 71.2 m -65.79 142.09 58.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.274 -0.421 . . . . 72.21 110.904 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 34.9 m -60.65 169.21 1.89 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 73.43 110.885 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -55.4 127.77 31.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 74.22 110.858 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 98.97 -23.22 37.3 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.773 -0.727 . . . . 74.4 112.484 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 76' ' ' LYS . 12.7 mt -102.52 160.43 14.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.799 0.333 . . . . 62.51 110.893 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -152.21 161.17 43.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 74.5 110.83 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -116.54 132.81 23.15 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.629 0.728 . . . . 75.34 110.925 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 166.9 26.06 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.704 2.269 . . . . 73.33 112.36 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 93.6 mt -97.04 95.43 7.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 72.21 110.885 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -159.94 -174.62 4.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 61.2 111.095 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.421 ' HB2' HD12 ' A' ' 71' ' ' ILE . 47.4 m-85 -52.42 -65.94 0.47 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 72.43 110.895 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.421 HD12 ' HB2' ' A' ' 70' ' ' PHE . 3.6 mp -127.03 82.84 67.39 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.644 0.735 . . . . 64.3 111.147 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 169.7 18.27 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.702 2.268 . . . . 74.2 112.311 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -143.59 132.02 22.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 73.12 110.911 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 55.5 m -51.52 136.8 25.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 61.25 110.862 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -157.07 147.27 21.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 74.53 110.878 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.41 ' HA ' HD23 ' A' ' 64' ' ' LEU . 27.4 mmtp -51.1 118.94 3.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 72.31 110.898 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 29.6 t80 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 74.24 110.892 -179.936 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.9 p . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.859 0.362 . . . . 54.35 110.853 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.728 ' HB2' ' HD2' ' A' ' 14' ' ' LYS . . . -97.78 121.03 39.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 45.53 111.05 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.65 175.0 1.55 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 74.05 110.868 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 71.3 tt0 -66.0 128.73 37.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 64.24 110.902 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.6 -28.65 9.68 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.757 -0.735 . . . . 63.01 112.516 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -67.42 161.0 26.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.928 0.394 . . . . 72.11 110.85 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 39.7 t -78.08 148.01 6.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 73.2 111.111 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 24.9 p -119.27 139.76 51.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 53.21 110.881 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 84.7 p -137.33 -172.67 3.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 64.32 110.86 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 67.9 p-90 -61.99 -38.49 88.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.153 -0.476 . . . . 72.51 110.924 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -89.65 -24.86 29.33 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.74 . . . . 74.34 112.439 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.728 ' HD2' ' HB2' ' A' ' 4' ' ' ALA . 0.1 OUTLIER -103.51 108.63 19.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.858 0.361 . . . . 73.43 110.911 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 45.5 mmtt -100.94 124.73 47.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 73.35 110.875 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.547 ' HA ' ' HB3' ' A' ' 4' ' ' ALA . 1.7 t -51.92 137.75 25.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 70.04 110.929 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 53.3 m -56.91 -35.89 69.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 73.11 110.88 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -119.38 77.37 1.2 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 73.12 110.901 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.495 HD23 ' HB3' ' A' ' 16' ' ' CYS . 85.8 mt -67.45 -34.37 77.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 45.33 110.935 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -58.58 -35.7 72.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 73.43 110.8 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.2 m120 -93.03 -57.66 2.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.447 . . . . 55.22 110.865 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -94.52 144.63 25.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 74.53 110.876 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 10.3 p90 -128.68 176.12 8.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 74.04 110.933 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 91.4 m -108.96 88.55 5.63 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.575 0.702 . . . . 72.51 110.863 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 147.45 63.3 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.698 2.266 . . . . 73.42 112.332 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 33.9 mmt -73.37 102.86 3.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.256 -0.429 . . . . 73.02 110.914 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -163.46 176.41 9.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 43.52 110.881 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -51.68 -57.18 9.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 74.03 110.897 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.6 mp -124.0 102.09 34.88 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.627 0.727 . . . . 63.43 111.121 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 121.41 8.09 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.659 2.24 . . . . 54.31 112.31 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 29.8 m80 -114.72 158.78 21.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 74.24 110.868 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 34.5 m -88.0 80.18 7.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 71.51 110.916 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 73.0 mttt -113.32 161.38 17.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 73.33 110.929 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 25.5 mtmt . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 74.1 110.877 179.877 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 22.7 p . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.891 0.377 . . . . 63.23 110.879 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -97.96 113.86 25.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 72.41 111.1 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -78.33 168.21 20.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 71.0 110.897 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 54.1 tt0 -51.91 126.56 18.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 73.42 110.895 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 105.22 -29.73 11.11 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.728 -0.749 . . . . 72.32 112.427 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -64.71 155.09 34.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.918 0.39 . . . . 71.41 110.88 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 23.9 t -89.95 149.41 4.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 61.34 111.128 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 29.5 m -116.99 149.7 39.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 70.33 110.88 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 141.45 -33.15 2.01 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.731 -0.747 . . . . 41.31 112.504 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 48.6 m95 -90.37 46.95 1.38 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.795 0.331 . . . . 74.25 110.925 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 63.51 32.87 85.61 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.765 -0.731 . . . . 63.43 112.479 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -116.73 116.7 28.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.963 0.411 . . . . 62.35 110.827 -179.739 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.04 145.62 25.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 74.33 110.914 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 95.4 m -65.67 147.66 53.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 75.43 110.911 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 43.0 m -64.5 170.87 3.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 73.44 110.848 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 9.4 t60 -56.77 125.73 23.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.177 -0.465 . . . . 72.14 110.852 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 90.51 18.81 47.35 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.749 -0.738 . . . . 73.13 112.509 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 40.5 mt -141.52 160.33 40.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.849 0.357 . . . . 60.51 110.918 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -153.39 159.42 42.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 75.13 110.857 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -116.23 133.85 22.88 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.588 0.709 . . . . 63.11 110.916 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 167.2 25.16 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.691 2.261 . . . . 62.14 112.343 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -96.86 95.34 7.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 74.23 110.952 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -160.41 -174.65 4.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 62.45 111.069 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.44 ' O ' HD13 ' A' ' 71' ' ' ILE . 14.8 m-85 -52.98 -66.14 0.44 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 60.35 110.862 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.44 HD13 ' O ' ' A' ' 70' ' ' PHE . 27.3 mm -125.89 82.59 64.17 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.58 0.705 . . . . 71.15 111.126 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 169.79 18.1 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.704 2.269 . . . . 52.33 112.325 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -143.53 132.1 22.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 74.2 110.944 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 55.5 m -51.35 139.84 18.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 64.22 110.857 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 25.1 pt-20 -158.83 151.83 22.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 74.34 110.88 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -51.44 118.75 3.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 71.11 110.933 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 14.1 p90 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 75.12 110.899 -179.897 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 27.2 p . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.886 0.374 . . . . 73.13 110.895 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -95.84 130.83 42.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 65.54 111.131 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.83 164.92 11.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 65.33 110.88 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 55.8 tt0 -62.77 128.49 36.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 72.03 110.873 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.56 -28.76 10.26 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.72 -0.752 . . . . 60.23 112.456 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -69.67 160.99 30.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.959 0.409 . . . . 62.44 110.88 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 20.9 t -76.4 150.81 6.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.128 -0.487 . . . . 75.34 111.155 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 17.4 p -114.39 144.85 42.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 64.53 110.867 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 81.2 p -131.86 179.63 5.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 70.14 110.856 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 67.9 t90 -59.82 -41.23 90.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 73.31 110.919 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -86.96 -24.88 36.21 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.796 -0.716 . . . . 73.4 112.493 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -103.68 109.74 21.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.824 0.345 . . . . 74.2 110.881 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 26.5 mmtm -102.87 134.73 45.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 75.43 110.888 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.568 ' HB3' HD23 ' A' ' 19' ' ' LEU . 1.6 t -51.85 144.72 10.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 75.41 110.886 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 33.4 m -65.22 -35.92 82.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 62.35 110.884 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -124.78 83.2 2.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 71.2 110.85 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.568 HD23 ' HB3' ' A' ' 16' ' ' CYS . 65.9 mt -68.16 -35.27 77.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.175 -0.466 . . . . 73.42 110.922 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -58.0 -35.97 72.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 73.31 110.883 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 60.2 m-20 -92.26 -57.73 2.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 73.42 110.934 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -94.6 142.43 27.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 62.32 110.867 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 5.3 p90 -131.59 160.17 36.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 72.14 110.901 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 76.2 m -108.74 89.01 5.83 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.647 0.737 . . . . 43.1 110.864 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 163.15 39.36 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.633 2.222 . . . . 73.31 112.34 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 81.5 mmm -72.45 105.1 4.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 73.13 110.867 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -163.37 171.09 16.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 61.55 110.834 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.419 ' HB2' HD12 ' A' ' 29' ' ' ILE . 74.9 m-85 -51.83 -57.04 10.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 74.34 110.85 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.422 ' HA ' ' HD2' ' A' ' 30' ' ' PRO . 3.8 mp -123.82 102.22 35.31 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.619 0.723 . . . . 71.12 111.129 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 29' ' ' ILE . 54.3 Cg_endo -69.75 123.0 9.67 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.658 2.239 . . . . 74.52 112.384 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 22.8 m80 -116.4 150.46 37.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 72.53 110.849 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 34.3 m -83.7 85.09 7.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 72.33 110.9 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.0 ptmt -119.59 147.1 44.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 54.35 110.906 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 18.8 mtpt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 64.41 110.894 179.873 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 17.8 p . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.829 0.347 . . . . 70.23 110.889 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.57 112.74 17.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 74.51 111.075 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.0 pttp -75.97 168.66 19.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 60.33 110.888 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.5 tm-20 -51.46 130.04 26.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 64.41 110.902 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 100.18 -29.73 11.6 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.807 -0.711 . . . . 74.12 112.472 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -63.14 154.84 29.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.882 0.372 . . . . 70.25 110.89 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.2 t -90.22 150.76 3.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 72.23 111.135 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 33.7 m -116.37 143.82 45.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 70.52 110.853 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 147.66 -34.02 1.27 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.685 -0.769 . . . . 44.44 112.468 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 23.9 m-90 -91.24 48.25 1.48 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.829 0.347 . . . . 74.44 110.92 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 64.57 32.71 85.1 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.732 -0.747 . . . . 62.12 112.466 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.48 121.33 44.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.95 0.405 . . . . 72.31 110.852 -179.768 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.1 mmtm -106.31 131.35 53.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 62.1 110.864 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 72.9 m -55.42 150.05 12.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 74.34 110.913 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 21.0 m -67.4 167.86 11.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 74.33 110.901 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 13.8 m80 -53.33 128.31 27.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 62.15 110.833 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 97.6 -23.34 36.34 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.742 -0.742 . . . . 75.44 112.425 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.476 HD23 ' HA ' ' A' ' 76' ' ' LYS . 13.8 mt -101.8 160.12 14.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.842 0.353 . . . . 63.01 110.917 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -151.63 159.2 44.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 64.55 110.938 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -115.74 131.03 23.89 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.608 0.718 . . . . 55.33 110.873 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 166.63 26.96 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.682 2.255 . . . . 64.23 112.361 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 8.8 mp -97.28 95.44 7.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 63.51 110.95 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -159.13 -174.66 4.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 73.42 111.088 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -52.08 -64.85 0.68 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 72.44 110.868 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 4.3 mp -128.8 82.83 67.88 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.614 0.721 . . . . 73.04 111.128 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 169.72 18.26 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.653 2.235 . . . . 61.14 112.343 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 42.4 m-85 -143.85 131.88 21.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 61.33 110.902 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 56.6 m -51.54 136.86 25.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.096 -0.502 . . . . 61.24 110.868 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -156.7 145.01 19.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.155 -0.475 . . . . 65.01 110.892 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.476 ' HA ' HD23 ' A' ' 64' ' ' LEU . 28.3 mmmt -51.78 119.0 3.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 72.42 110.854 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 27.3 t80 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 61.12 110.925 -179.974 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 17.8 p . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.792 0.329 . . . . 61.44 110.871 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -91.9 141.39 28.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 62.3 111.092 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 53.7 mtpt -65.19 172.89 2.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 75.21 110.908 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 74.9 tt0 -69.31 124.44 23.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.249 -0.432 . . . . 73.1 110.86 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.76 -28.74 9.6 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 30.02 112.473 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -63.06 147.26 51.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.879 0.371 . . . . 55.51 110.878 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 90.0 t -63.98 144.58 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 71.05 111.084 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 18.5 p -114.04 142.44 46.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 71.14 110.908 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 86.4 p -126.4 -170.05 2.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 61.22 110.888 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 69.9 p-90 -61.11 -35.94 78.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.148 -0.478 . . . . 74.2 110.893 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -96.63 -24.84 12.8 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.723 -0.751 . . . . 70.34 112.538 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.92 108.14 19.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.863 0.363 . . . . 74.53 110.9 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.1 mtpp -107.49 140.74 40.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 73.34 110.916 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 75.1 m -52.31 124.21 12.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 53.21 110.843 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -52.18 -38.8 58.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 71.11 110.904 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -105.54 95.46 5.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 70.25 110.835 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 66.3 mt -82.07 -36.77 27.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 63.5 110.908 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -61.22 -36.52 80.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 64.31 110.844 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 31.0 m120 -97.41 -58.48 2.0 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 73.54 110.91 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -95.29 169.19 10.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 73.2 110.842 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 2.8 p90 -164.89 176.85 8.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 74.3 110.895 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 70.8 m -108.32 88.68 5.12 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.665 0.745 . . . . 65.12 110.928 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 167.42 24.42 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.707 2.272 . . . . 74.44 112.324 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 54.3 mmm -86.2 105.7 16.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 74.4 110.946 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -163.28 170.74 17.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 74.44 110.93 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -51.97 -48.82 64.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 73.24 110.888 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.401 ' HA ' ' HD2' ' A' ' 30' ' ' PRO . 2.6 mt -123.73 102.13 35.69 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.574 0.702 . . . . 73.44 111.154 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 29' ' ' ILE . 53.3 Cg_endo -69.83 121.24 7.92 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.631 2.221 . . . . 70.32 112.349 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 34.3 m170 -112.37 177.59 4.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 75.32 110.869 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 53.0 m -113.01 58.88 0.65 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 51.43 110.912 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.1 ptpt -113.39 170.88 7.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 74.05 110.927 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.3 ttmm . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 73.45 110.914 179.826 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 9.0 p . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.785 0.326 . . . . 52.54 110.918 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -76.93 112.43 13.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 73.32 111.051 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 44.5 mtpt -76.1 167.53 21.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 72.22 110.845 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -51.61 128.47 23.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 74.13 110.895 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 103.05 -29.7 11.92 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.792 -0.718 . . . . 54.54 112.496 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -63.99 155.98 29.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.901 0.382 . . . . 62.02 110.906 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 22.1 t -91.51 149.61 4.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.163 -0.471 . . . . 74.15 111.138 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 28.4 m -116.27 142.94 46.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 73.03 110.839 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 152.25 -33.81 0.85 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.779 -0.724 . . . . 53.43 112.518 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 33.8 m95 -90.62 46.81 1.36 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.831 0.348 . . . . 74.24 110.916 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 63.54 32.63 84.82 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.716 -0.754 . . . . 74.23 112.528 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -116.83 118.07 31.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.905 0.383 . . . . 64.32 110.871 -179.723 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.53 156.14 16.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 73.53 110.889 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 77.6 m -77.18 149.94 35.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 74.51 110.905 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 30.7 m -64.0 169.13 4.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 64.24 110.913 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 17.3 t-80 -53.85 128.34 29.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 73.23 110.865 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 96.61 -23.15 36.51 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.74 -0.743 . . . . 71.04 112.488 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.444 HD23 ' HA ' ' A' ' 76' ' ' LYS . 22.6 mt -101.79 160.52 14.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.804 0.335 . . . . 75.33 110.92 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -154.21 160.76 42.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 73.44 110.861 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -115.69 132.02 23.37 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.6 0.714 . . . . 71.23 110.914 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 167.0 25.74 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.714 2.276 . . . . 44.45 112.328 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 57.5 mt -97.08 95.4 7.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 72.44 110.945 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -160.06 -174.53 4.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 72.14 111.086 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.479 ' O ' HD13 ' A' ' 71' ' ' ILE . 16.0 m-85 -52.42 -66.13 0.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 60.34 110.877 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.479 HD13 ' O ' ' A' ' 70' ' ' PHE . 32.3 mm -126.84 82.88 66.78 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.655 0.741 . . . . 52.3 111.171 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 169.68 18.33 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.654 2.236 . . . . 64.31 112.38 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 45.4 m-85 -143.96 131.8 21.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 73.02 110.899 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 54.9 m -51.43 136.45 25.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 73.23 110.873 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -156.78 148.09 22.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 64.25 110.93 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.444 ' HA ' HD23 ' A' ' 64' ' ' LEU . 18.1 mmmt -51.39 118.8 3.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 74.45 110.903 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 29.3 t80 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 74.25 110.889 -179.934 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 17.4 p . . . . . 0 N--CA 1.457 -0.08 0 CA-C-O 120.84 0.353 . . . . 51.52 110.924 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -89.86 126.68 35.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 50.01 111.132 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 21.3 mmmt -64.09 175.36 1.26 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 62.15 110.927 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 54.1 tt0 -63.96 126.92 29.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.426 . . . . 74.22 110.871 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.76 -28.69 9.72 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.738 -0.744 . . . . 61.04 112.507 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 57.7 mm-40 -62.11 160.51 12.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.883 0.373 . . . . 63.11 110.866 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.506 HG13 ' O ' ' A' ' 30' ' ' PRO . 90.4 t -83.89 144.64 9.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 63.15 111.106 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 18.2 p -111.19 142.42 43.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.467 . . . . 62.3 110.915 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 58.0 p -136.45 -169.97 2.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 55.21 110.849 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 6.5 t90 -62.48 -35.67 80.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.49 . . . . 73.45 110.883 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -96.2 -24.87 13.56 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.744 -0.741 . . . . 72.33 112.48 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.57 108.53 19.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.875 0.369 . . . . 74.14 110.847 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.5 mmmm -106.88 134.0 50.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 63.15 110.884 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.642 ' HB3' HD23 ' A' ' 19' ' ' LEU . 0.9 OUTLIER -52.03 153.14 2.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 75.14 110.865 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -81.79 -36.03 28.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 73.15 110.883 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -109.11 59.75 0.6 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.198 -0.455 . . . . 54.5 110.889 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.642 HD23 ' HB3' ' A' ' 16' ' ' CYS . 64.9 mt -52.54 -34.88 52.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.44 . . . . 70.31 110.914 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -58.53 -34.51 71.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 71.41 110.913 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.7 m-80 -94.12 -60.93 1.62 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 74.04 110.895 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -94.8 153.16 17.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 74.44 110.888 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -136.16 176.84 8.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 72.22 110.949 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 86.6 m -108.32 88.86 5.27 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.633 0.73 . . . . 63.34 110.852 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 161.56 45.45 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.663 2.242 . . . . 42.42 112.353 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 11.8 ttm -83.42 104.37 13.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 73.35 110.89 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -163.11 170.53 17.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 73.42 110.935 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -52.03 -55.36 21.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.478 . . . . 62.01 110.826 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.541 HG22 ' CE1' ' A' ' 31' ' ' HIS . 3.4 mp -123.84 102.19 35.26 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.635 0.731 . . . . 61.41 111.125 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.506 ' O ' HG13 ' A' ' 9' ' ' VAL . 54.0 Cg_endo -69.74 149.45 67.03 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.703 2.269 . . . . 74.43 112.331 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.541 ' CE1' HG22 ' A' ' 29' ' ' ILE . 84.3 m-70 -143.04 167.08 22.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 74.45 110.885 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 34.9 m -97.41 68.47 2.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 71.15 110.912 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.2 pttp -113.4 142.79 45.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 73.35 110.929 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.9 ttpt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 75.52 110.896 179.858 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 16.2 p . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.814 0.34 . . . . 74.22 110.869 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.99 112.74 10.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 72.35 111.139 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -76.5 168.45 20.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 64.12 110.887 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -51.5 129.05 24.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.243 -0.435 . . . . 63.54 110.906 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 101.33 -29.8 11.74 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.8 -0.714 . . . . 64.23 112.533 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -61.95 156.05 22.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.859 0.362 . . . . 73.51 110.885 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 39.7 t -90.7 148.38 4.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 74.54 111.13 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 26.7 m -116.49 155.37 28.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 73.04 110.883 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 138.07 -36.44 1.92 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.766 -0.731 . . . . 43.55 112.469 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 56.3 m95 -91.93 51.26 1.8 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.795 0.331 . . . . 74.31 110.896 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 63.45 32.72 85.1 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.725 -0.75 . . . . 35.23 112.472 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -110.07 116.76 32.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.929 0.395 . . . . 75.34 110.855 -179.72 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.3 mmmm -103.44 130.1 50.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 61.33 110.898 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 76.0 m -58.51 150.51 22.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.273 -0.421 . . . . 71.45 110.902 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.48 ' HB2' HD12 ' A' ' 64' ' ' LEU . 30.5 m -64.06 166.03 8.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 71.12 110.883 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 7.7 t-160 -51.9 127.33 20.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 73.34 110.854 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 97.92 -23.28 36.71 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.742 -0.742 . . . . 64.14 112.53 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.59 HD23 ' N ' ' A' ' 76' ' ' LYS . 8.2 mt -101.56 160.31 14.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.817 0.341 . . . . 65.31 110.938 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -154.85 160.93 41.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.188 -0.46 . . . . 61.13 110.868 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -114.68 134.73 22.35 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.656 0.741 . . . . 74.41 110.852 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 167.61 23.87 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.713 2.275 . . . . 71.14 112.378 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 92.2 mt -97.01 95.19 7.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.429 . . . . 74.13 110.943 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -160.43 -174.37 4.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 71.32 111.101 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.603 ' HB3' HD12 ' A' ' 71' ' ' ILE . 4.5 m-85 -53.22 -66.27 0.42 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 70.11 110.873 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.603 HD12 ' HB3' ' A' ' 70' ' ' PHE . 4.0 mp -125.44 82.5 62.84 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.6 0.715 . . . . 71.11 111.114 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 169.9 17.74 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.68 2.253 . . . . 72.52 112.361 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -144.11 133.24 22.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 61.43 110.867 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 55.4 m -51.32 141.23 15.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.108 -0.496 . . . . 72.4 110.893 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -161.6 143.26 11.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 75.21 110.865 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.59 ' N ' HD23 ' A' ' 64' ' ' LEU . 68.9 mmtt -51.54 118.89 3.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 73.24 110.905 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 67.7 t80 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 71.4 110.951 -179.969 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 20.7 p . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.854 0.359 . . . . 71.44 110.874 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -104.94 125.69 51.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 71.01 111.077 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.7 mmmp? -58.09 161.95 3.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 53.32 110.888 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 64.2 tt0 -58.65 126.36 27.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 75.01 110.925 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.44 -28.72 11.18 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.713 -0.755 . . . . 52.0 112.465 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 48.3 mm-40 -72.6 143.63 48.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.892 0.377 . . . . 75.15 110.913 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.5 t -62.36 150.25 8.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 45.53 111.148 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 31.7 p -118.39 137.69 52.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 74.33 110.914 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 61.7 p -117.17 -172.98 2.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 74.45 110.835 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 27.9 t90 -60.23 -35.83 76.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 74.15 110.922 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -94.77 -24.85 16.5 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.743 -0.742 . . . . 61.43 112.475 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -103.72 110.67 22.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.881 0.372 . . . . 60.41 110.902 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.2 mmtm -107.5 146.66 31.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 73.2 110.885 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 87.9 m -53.03 129.31 30.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 65.22 110.874 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 62.2 m -52.15 -37.8 55.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 75.21 110.9 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -111.21 102.65 11.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 73.25 110.871 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 62.2 mt -84.34 -36.11 22.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 74.43 110.92 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -59.78 -38.24 81.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 64.11 110.872 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 53.0 m-80 -97.96 -58.45 1.98 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 73.34 110.911 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -94.65 170.12 9.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 70.25 110.899 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 17.4 p90 -170.89 176.58 4.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.162 -0.472 . . . . 73.45 110.936 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 68.6 m -109.23 85.18 3.26 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.64 0.733 . . . . 74.03 110.878 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 166.88 26.14 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.715 2.276 . . . . 51.21 112.33 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 12.2 ttm -80.71 105.64 12.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 64.1 110.887 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -163.14 170.58 17.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 74.42 110.905 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.529 ' HB2' HD12 ' A' ' 29' ' ' ILE . 65.0 m-85 -51.96 -54.76 25.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 71.33 110.922 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.529 HD12 ' HB2' ' A' ' 28' ' ' PHE . 3.9 mp -123.83 102.29 35.2 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.603 0.716 . . . . 65.21 111.141 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 29' ' ' ILE . 53.6 Cg_endo -69.78 123.2 9.87 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.692 2.261 . . . . 72.15 112.364 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 32.5 m80 -116.11 162.55 17.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 71.01 110.877 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 63.7 m -101.05 45.54 0.97 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 75.04 110.837 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.2 tppt? -113.31 130.88 56.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 74.04 110.907 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.8 ptmt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 71.13 110.917 179.845 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 17.6 p . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.88 0.371 . . . . 53.11 110.876 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.443 ' HB1' ' HB2' ' A' ' 52' ' ' GLU . . . -87.01 110.29 19.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 50.41 111.115 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.58 170.3 14.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 62.22 110.914 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -50.63 127.33 17.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 75.45 110.834 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 100.3 -28.27 16.55 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.765 -0.731 . . . . 64.22 112.496 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.443 ' HB2' ' HB1' ' A' ' 48' ' ' ALA . 36.2 mm-40 -63.92 148.28 49.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.87 0.367 . . . . 51.55 110.872 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 16.5 t -82.09 153.74 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 71.12 111.145 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 9.7 m -115.29 178.35 4.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 60.41 110.889 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 92.42 -39.16 3.04 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.736 -0.745 . . . . 53.52 112.466 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 80.4 m95 -85.09 52.67 2.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.758 0.313 . . . . 70.21 110.945 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 63.06 28.9 72.87 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.75 -0.738 . . . . 72.05 112.533 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.15 116.61 27.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.93 0.395 . . . . 74.55 110.827 -179.693 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -107.19 124.19 49.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 72.15 110.874 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 70.7 m -51.31 137.46 23.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 73.14 110.918 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 59.2 m -51.27 162.19 0.35 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 63.44 110.853 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 15.3 t-80 -52.95 112.53 0.87 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 62.54 110.822 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 109.22 -23.2 23.54 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.724 -0.751 . . . . 73.31 112.481 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.469 HD23 ' HA ' ' A' ' 76' ' ' LYS . 26.0 mt -97.86 154.01 17.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.853 0.359 . . . . 73.2 110.878 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -157.49 152.85 26.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 74.41 110.892 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 4.3 p -118.22 152.72 50.99 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.688 0.756 . . . . 63.44 110.839 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 169.11 19.67 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.714 2.276 . . . . 72.22 112.338 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 22.5 mt -96.18 104.76 16.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.447 . . . . 74.51 110.908 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -165.69 -173.81 2.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.169 -0.469 . . . . 62.23 111.099 179.778 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -56.4 -67.07 0.33 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 73.42 110.859 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.453 HG22 ' CE1' ' A' ' 73' ' ' TYR . 18.9 mm -112.6 80.32 3.61 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.63 0.729 . . . . 75.34 111.124 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 163.69 37.29 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.671 2.247 . . . . 63.15 112.321 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.453 ' CE1' HG22 ' A' ' 71' ' ' ILE . 48.3 m-85 -144.94 130.25 18.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 74.54 110.945 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 68.0 m -60.4 135.07 57.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 55.11 110.892 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -145.19 155.43 43.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 74.34 110.869 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.469 ' HA ' HD23 ' A' ' 64' ' ' LEU . 50.2 mmtt -51.54 118.59 3.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 61.02 110.866 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 3.1 t80 . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.245 -0.434 . . . . 71.45 110.881 -179.931 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 28.9 p . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.877 0.37 . . . . 71.53 110.872 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -102.15 131.31 48.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 73.42 111.109 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.77 168.47 1.22 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 71.41 110.929 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 59.6 tt0 -68.25 123.26 20.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 74.44 110.892 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.99 -28.74 14.51 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.703 -0.76 . . . . 62.23 112.444 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -71.27 160.87 32.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.886 0.374 . . . . 75.3 110.897 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 t -73.28 149.91 8.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 64.25 111.175 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 20.2 p -122.78 143.24 49.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 63.34 110.861 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.9 p -129.01 -174.75 3.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 72.11 110.876 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 20.8 t90 -57.59 -38.49 74.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 74.11 110.902 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -92.87 -24.77 22.12 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.749 -0.739 . . . . 74.44 112.504 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.51 106.78 17.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.827 0.346 . . . . 71.13 110.902 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.34 145.81 32.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 72.13 110.904 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 73.7 m -55.8 135.34 51.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 54.21 110.882 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 63.3 m -52.43 -36.23 53.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 64.4 110.893 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -115.25 103.63 11.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 73.21 110.902 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 56.8 mt -81.88 -36.26 28.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 71.1 110.909 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -62.14 -36.27 81.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.199 -0.455 . . . . 73.23 110.834 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -97.03 -56.51 2.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 74.32 110.89 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -95.64 163.24 13.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 64.32 110.895 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 9.8 p90 -161.09 176.62 11.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 72.34 110.925 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 82.9 m -108.75 87.49 4.48 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.65 0.738 . . . . 65.24 110.927 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 165.48 30.8 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.688 2.259 . . . . 71.55 112.35 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 12.3 mtp -85.94 105.75 16.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 73.14 110.903 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -163.29 175.45 10.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 73.52 110.875 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -52.09 -56.92 11.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 72.02 110.846 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.407 ' HA ' ' HD2' ' A' ' 30' ' ' PRO . 3.9 mp -123.79 102.15 35.49 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.597 0.713 . . . . 54.32 111.14 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 29' ' ' ILE . 54.3 Cg_endo -69.71 121.28 7.99 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.697 2.265 . . . . 74.33 112.336 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 31.1 m80 -113.67 168.14 10.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 71.23 110.861 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 47.1 m -100.03 64.32 1.22 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 63.13 110.894 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.3 tppt? -113.41 160.14 18.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 73.3 110.928 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.2 ptpt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 72.31 110.895 179.869 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 17.6 p . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.815 0.341 . . . . 75.22 110.9 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -77.74 110.5 12.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 31.5 111.118 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.4 167.57 20.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 63.04 110.873 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -51.88 127.89 22.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 64.2 110.919 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 103.04 -30.04 11.23 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.749 -0.739 . . . . 63.43 112.474 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -62.38 154.8 27.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.924 0.392 . . . . 65.51 110.876 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 22.0 t -90.18 149.69 3.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 65.31 111.139 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 29.1 m -116.56 146.65 42.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 65.31 110.929 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 152.77 -33.49 0.81 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.718 -0.753 . . . . 75.14 112.48 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 77.3 m95 -91.41 45.98 1.27 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.802 0.334 . . . . 74.1 110.909 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 64.12 32.68 85.01 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.797 -0.716 . . . . 42.53 112.478 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -108.8 116.6 32.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.906 0.384 . . . . 75.0 110.899 -179.766 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.8 mmmm -98.78 131.4 44.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 74.51 110.922 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 73.7 m -54.55 153.38 5.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 63.22 110.901 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 20.4 m -67.77 167.22 13.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.472 . . . . 71.12 110.849 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 6.1 p-80 -51.93 128.63 24.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 71.54 110.875 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 95.55 -23.46 33.76 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.679 -0.772 . . . . 71.43 112.498 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.441 HD23 ' HA ' ' A' ' 76' ' ' LYS . 23.4 mt -100.53 160.15 14.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.809 0.337 . . . . 74.04 110.902 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -152.73 158.65 42.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 75.1 110.849 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -115.22 130.84 23.92 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.589 0.709 . . . . 70.52 110.862 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 166.95 25.83 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.653 2.235 . . . . 74.41 112.338 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -97.01 95.41 7.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 51.53 110.906 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -159.73 -175.16 4.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 62.13 111.117 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -52.73 -64.74 0.72 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 74.5 110.871 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 4.1 mp -127.72 82.65 67.94 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.629 0.728 . . . . 73.11 111.147 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 169.66 18.48 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.653 2.235 . . . . 71.22 112.329 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 42.4 m-85 -143.46 130.76 20.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 72.22 110.968 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 55.6 m -51.75 136.32 27.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 55.11 110.877 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -156.23 146.54 21.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 73.05 110.929 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.441 ' HA ' HD23 ' A' ' 64' ' ' LEU . 8.2 mmmm -51.3 119.21 3.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.174 -0.466 . . . . 72.33 110.898 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 61.5 t80 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 74.43 110.887 -179.919 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 31.8 p . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.857 0.361 . . . . 73.15 110.884 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -83.72 122.28 28.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 63.21 111.11 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.7 mmmt -58.68 169.35 0.97 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 74.13 110.929 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 53.5 tt0 -59.2 118.43 5.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 51.35 110.89 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.05 -28.73 9.88 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.759 -0.734 . . . . 73.33 112.449 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -62.41 144.51 55.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.913 0.387 . . . . 65.34 110.887 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.9 t -63.0 145.08 13.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 72.54 111.115 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 20.0 p -121.07 137.49 54.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.467 . . . . 74.21 110.9 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 86.1 p -120.96 -172.65 2.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 73.05 110.876 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 68.4 t90 -57.19 -36.85 71.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 71.33 110.901 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -94.01 -24.88 18.63 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.768 -0.73 . . . . 52.03 112.527 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.73 106.52 17.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.782 0.325 . . . . 75.34 110.884 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? -107.45 145.55 32.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.265 -0.425 . . . . 60.41 110.914 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 68.4 m -56.94 130.81 47.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 74.4 110.919 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -52.14 -40.46 61.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 65.2 110.884 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -110.74 98.05 7.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 75.0 110.866 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 58.7 mt -76.69 -35.14 58.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 73.42 110.886 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -59.72 -35.7 75.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 72.13 110.834 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -96.64 -59.83 1.73 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 72.41 110.894 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -94.64 162.52 13.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 61.21 110.904 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 4.3 p90 -163.67 165.19 23.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.187 -0.461 . . . . 73.44 110.936 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 27.3 m -108.39 89.75 6.29 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.621 0.724 . . . . 70.51 110.859 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 165.42 31.11 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.615 2.21 . . . . 73.12 112.358 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 30.9 ttm -73.3 106.04 4.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 65.33 110.921 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -163.34 173.39 13.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.26 -0.427 . . . . 73.22 110.85 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -51.87 -57.03 10.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 74.31 110.894 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.4 mp -123.93 102.1 35.06 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.595 0.712 . . . . 64.1 111.107 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 121.75 8.43 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.67 2.246 . . . . 73.32 112.331 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 64.4 m-70 -115.02 177.81 4.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 71.05 110.878 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 63.5 m -104.06 72.13 1.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 75.42 110.922 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 31.4 ttmt -113.36 137.21 51.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 62.51 110.894 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 16.9 ttmt . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 72.04 110.925 179.822 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 12.5 p . . . . . 0 N--CA 1.458 -0.068 0 CA-C-O 120.83 0.348 . . . . 65.31 110.898 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -76.52 112.15 12.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 40.01 111.088 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.4 pttp -75.37 167.55 21.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 73.2 110.867 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -51.71 128.9 24.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 73.34 110.916 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 102.53 -29.88 11.57 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.775 -0.726 . . . . 70.35 112.497 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -63.98 155.37 31.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.917 0.389 . . . . 72.31 110.856 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.6 t -90.93 150.31 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 72.1 111.129 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 33.1 m -116.16 144.59 43.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 61.15 110.837 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 153.42 -33.62 0.77 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.713 -0.756 . . . . 45.11 112.469 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 71.1 m95 -91.58 45.81 1.25 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.791 0.329 . . . . 72.42 110.925 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 64.52 32.62 84.8 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.729 -0.748 . . . . 72.25 112.491 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -109.83 116.74 32.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.9 0.381 . . . . 74.14 110.891 -179.742 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.9 mmmm -99.32 134.07 42.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 62.05 110.862 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 72.0 m -57.51 151.58 16.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 65.55 110.897 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 28.1 m -66.36 170.1 6.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 52.2 110.893 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 8.1 t-160 -55.06 127.87 31.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 72.32 110.86 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 97.11 -23.29 36.38 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.763 -0.732 . . . . 51.25 112.477 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 76' ' ' LYS . 28.9 mt -100.65 160.4 14.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.771 0.32 . . . . 73.32 110.952 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -151.37 160.87 43.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.443 . . . . 61.43 110.88 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -119.28 129.03 25.61 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.603 0.716 . . . . 64.33 110.871 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 166.48 27.42 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.712 2.275 . . . . 61.44 112.333 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 8.8 mp -97.46 95.31 7.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 72.42 110.939 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -158.45 -174.63 4.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 73.33 111.107 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -51.79 -64.31 0.85 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 74.23 110.891 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 4.1 mp -129.99 83.11 64.61 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.626 0.727 . . . . 75.51 111.115 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 169.65 18.43 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.673 2.249 . . . . 52.44 112.331 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 41.5 m-85 -143.67 131.06 20.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 74.25 110.932 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 56.1 m -51.7 135.57 28.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.07 -0.513 . . . . 65.05 110.917 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 20.6 pt-20 -155.49 148.63 24.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 74.45 110.854 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.427 ' HA ' HD23 ' A' ' 64' ' ' LEU . 30.3 mmtp -51.81 118.96 3.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 75.12 110.913 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 6.5 t80 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 65.34 110.871 -179.891 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 21.1 p . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.847 0.356 . . . . 71.3 110.891 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -93.32 136.79 33.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 74.1 111.137 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.8 ttmt -59.98 171.97 0.86 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.268 -0.424 . . . . 72.11 110.95 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 65.4 tt0 -62.8 117.67 6.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 75.04 110.892 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.76 -28.66 10.73 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.774 -0.727 . . . . 71.33 112.482 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -55.05 160.68 1.96 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.887 0.375 . . . . 72.24 110.854 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.457 HG13 ' O ' ' A' ' 30' ' ' PRO . 21.6 t -74.94 150.16 7.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.49 . . . . 61.32 111.13 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.1 p -121.12 142.15 50.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 72.42 110.876 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 77.5 p -128.76 -173.62 3.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 60.25 110.886 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 68.9 p-90 -59.58 -35.74 74.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 73.43 110.887 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -95.79 -24.86 14.34 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.764 -0.732 . . . . 14.13 112.481 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.5 tppt? -103.64 113.55 27.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.857 0.361 . . . . 62.12 110.892 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.41 164.53 12.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 75.12 110.95 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 51.2 m -86.41 122.2 30.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.433 . . . . 75.11 110.93 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -52.14 -36.24 50.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 75.51 110.91 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -102.88 88.72 3.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 72.3 110.871 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 63.3 mt -80.5 -36.07 33.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 75.35 110.91 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -63.83 -36.08 82.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 74.22 110.877 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -95.03 -58.82 2.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 73.14 110.862 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -94.77 168.02 11.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 73.44 110.872 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -157.72 176.73 12.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.197 -0.456 . . . . 73.41 110.957 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 63.5 m -108.46 88.73 5.29 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.64 0.733 . . . . 64.12 110.886 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 143.28 50.68 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.673 2.249 . . . . 73.01 112.358 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -74.45 104.43 5.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 73.23 110.844 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -163.38 177.17 9.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 74.41 110.874 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.477 ' HB2' HD12 ' A' ' 29' ' ' ILE . 51.3 m-85 -52.01 -57.03 10.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.473 . . . . 73.52 110.866 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.477 HD12 ' HB2' ' A' ' 28' ' ' PHE . 3.9 mp -123.82 102.13 35.4 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.601 0.715 . . . . 62.2 111.16 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.457 ' O ' HG13 ' A' ' 9' ' ' VAL . 54.0 Cg_endo -69.73 146.99 62.04 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.689 2.259 . . . . 55.2 112.358 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 36.3 m80 -142.31 139.89 31.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.26 -0.427 . . . . 73.43 110.861 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 80.5 m -76.67 67.11 2.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 71.23 110.871 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.6 ptpt -115.78 169.92 8.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 75.22 110.876 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.2 mmmt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 43.24 110.857 179.891 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 20.3 p . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.856 0.36 . . . . 64.05 110.885 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.0 111.58 15.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 74.44 111.119 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 25.4 mmtp -74.96 169.13 18.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 73.31 110.873 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -51.79 129.37 26.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 73.04 110.886 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 101.12 -29.98 11.36 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.695 -0.764 . . . . 71.34 112.479 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -62.74 155.1 27.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.946 0.403 . . . . 65.11 110.851 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.421 HG22 ' CE1' ' A' ' 73' ' ' TYR . 21.2 t -92.18 150.55 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 73.31 111.103 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 28.0 m -116.12 144.15 44.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 64.53 110.85 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 155.02 -33.37 0.66 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.692 -0.766 . . . . 61.15 112.462 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 76.8 m95 -91.68 46.08 1.26 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.804 0.335 . . . . 62.11 110.95 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 63.62 32.77 85.3 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.779 -0.724 . . . . 64.11 112.481 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -110.12 117.3 33.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.911 0.386 . . . . 74.13 110.863 -179.762 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.8 mmmm -98.64 136.41 38.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 71.42 110.906 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 73.0 m -58.78 152.52 18.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 73.13 110.908 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 19.5 m -68.26 168.81 11.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 62.01 110.919 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 36.3 m80 -54.27 126.73 24.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 71.22 110.884 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 98.97 -23.27 37.09 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.736 -0.745 . . . . 74.31 112.496 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.497 HD23 ' N ' ' A' ' 76' ' ' LYS . 17.0 mt -101.6 160.27 14.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.807 0.337 . . . . 73.11 110.93 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -150.16 159.06 44.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 74.43 110.908 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -118.39 127.9 26.3 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.622 0.725 . . . . 42.33 110.831 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 166.59 27.09 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.699 2.266 . . . . 55.11 112.35 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 54.5 mt -97.56 95.33 7.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 62.01 110.882 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -157.71 -174.77 5.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 75.02 111.091 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -51.85 -62.9 1.34 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 64.44 110.867 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 4.1 mp -131.8 83.08 58.45 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.714 0.769 . . . . 64.45 111.15 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 169.74 18.18 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.714 2.276 . . . . 53.1 112.303 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.421 ' CE1' HG22 ' A' ' 53' ' ' VAL . 45.2 m-85 -143.66 130.77 20.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 63.51 110.926 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 56.5 m -51.73 135.2 29.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 72.22 110.887 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -155.05 147.19 23.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 51.32 110.87 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.497 ' N ' HD23 ' A' ' 64' ' ' LEU . 7.9 mmmm -51.59 118.94 3.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 61.02 110.922 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 6.3 t80 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 73.44 110.94 -179.95 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 17.7 p . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.889 0.376 . . . . 61.33 110.861 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -104.36 126.77 51.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 65.31 111.122 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.5 mtmt -58.18 168.96 0.9 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 65.12 110.882 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 77.1 tt0 -64.34 140.5 58.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 74.11 110.934 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.55 -28.64 9.65 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.752 -0.737 . . . . 74.54 112.438 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -77.25 161.05 28.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.916 0.388 . . . . 65.24 110.9 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.1 t -82.47 150.84 4.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.113 -0.494 . . . . 45.14 111.161 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 17.4 p -108.43 142.64 38.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 75.4 110.915 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 66.2 p -121.47 -170.08 1.97 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 74.45 110.827 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 19.9 t90 -68.28 -38.27 81.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.48 . . . . 75.12 110.912 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -94.99 -24.98 15.52 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.755 -0.736 . . . . 64.51 112.47 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.8 ttpt -103.78 113.53 27.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.832 0.349 . . . . 61.25 110.913 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.38 169.34 8.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 73.4 110.9 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.599 ' HB3' HD23 ' A' ' 19' ' ' LEU . 2.7 t -76.94 142.2 40.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 62.33 110.853 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 22.6 m -67.28 -36.12 80.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 71.33 110.878 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -116.76 73.34 0.86 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 75.0 110.868 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.599 HD23 ' HB3' ' A' ' 16' ' ' CYS . 86.3 mt -65.09 -31.72 73.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 63.33 110.864 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -59.21 -34.41 72.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.439 . . . . 74.55 110.818 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -97.77 -59.19 1.82 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.441 . . . . 64.54 110.927 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -94.34 160.99 14.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 41.4 110.898 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 8.5 p90 -152.09 175.11 12.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 73.51 110.902 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 84.9 m -108.85 88.2 5.21 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.628 0.728 . . . . 74.05 110.851 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 156.31 63.61 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.663 2.242 . . . . 73.41 112.336 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 24.0 mmt -65.61 101.59 0.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 73.53 110.899 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -163.41 168.63 20.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 71.42 110.893 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.444 ' HB2' HD12 ' A' ' 29' ' ' ILE . 91.7 m-85 -51.7 -57.08 10.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 74.0 110.888 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.444 HD12 ' HB2' ' A' ' 28' ' ' PHE . 3.8 mp -124.03 101.96 34.91 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.58 0.705 . . . . 75.14 111.157 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 120.84 7.56 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.661 2.241 . . . . 75.21 112.359 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 26.7 m80 -113.53 147.27 38.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 73.1 110.863 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 33.8 m -74.76 73.26 2.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 70.34 110.9 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt -113.37 148.39 35.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 75.1 110.927 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.3 ttpt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 72.42 110.913 179.881 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 17.3 p . . . . . 0 N--CA 1.458 -0.073 0 CA-C-O 120.812 0.339 . . . . 73.51 110.887 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -83.32 112.74 20.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 72.44 111.102 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 33.4 mtmm -76.42 165.39 24.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 65.11 110.885 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.5 tm-20 -50.23 122.76 7.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 74.43 110.876 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 109.6 -29.65 9.26 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.708 -0.758 . . . . 51.24 112.502 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -64.27 148.95 49.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.902 0.382 . . . . 70.31 110.848 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.448 HG11 HG23 ' A' ' 71' ' ' ILE . 24.1 t -82.35 149.43 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 65.44 111.17 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 14.4 m -122.42 151.74 40.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 70.41 110.917 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 144.18 -59.12 0.52 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.721 -0.752 . . . . 34.35 112.492 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 6.0 m-90 -77.03 61.44 2.0 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.777 0.322 . . . . 73.5 110.908 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 63.37 32.66 84.91 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.762 -0.732 . . . . 73.03 112.503 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -115.91 126.68 54.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.983 0.421 . . . . 74.43 110.874 -179.771 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.56 158.15 27.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 75.05 110.896 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 67.4 m -84.26 159.67 20.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 74.23 110.904 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 17.8 m -69.46 169.96 11.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 73.33 110.868 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 13.9 p80 -56.8 116.83 3.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 64.23 110.889 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 109.37 -23.44 22.69 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.724 -0.75 . . . . 64.32 112.45 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.416 HD23 ' N ' ' A' ' 76' ' ' LYS . 9.6 mt -102.4 157.67 16.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.842 0.353 . . . . 64.12 110.942 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -148.45 162.31 39.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 73.02 110.904 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -115.02 140.23 25.31 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.607 0.718 . . . . 40.41 110.896 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 167.85 23.24 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.652 2.235 . . . . 60.01 112.352 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 82.0 mt -96.6 95.2 7.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 73.33 110.889 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -163.47 -174.73 3.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 73.2 111.108 179.772 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -56.37 -66.43 0.44 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 72.14 110.896 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.448 HG23 HG11 ' A' ' 53' ' ' VAL . 3.5 mp -119.37 82.03 23.52 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.666 0.746 . . . . 72.05 111.125 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 170.08 17.39 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.671 2.247 . . . . 71.24 112.368 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -143.88 130.91 20.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 63.42 110.903 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 55.5 m -51.26 142.56 12.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 45.3 110.848 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -160.84 147.24 15.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 63.22 110.847 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.416 ' N ' HD23 ' A' ' 64' ' ' LEU . 66.3 mmtt -50.99 118.76 3.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 73.32 110.936 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 2.3 t80 . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.219 -0.446 . . . . 72.12 110.917 -179.97 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 27.5 p . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.911 0.386 . . . . 75.44 110.853 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -97.52 147.35 24.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 73.24 111.083 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.33 175.37 10.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 71.54 110.915 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 52.0 tt0 -63.92 129.91 41.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 72.32 110.937 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.51 -28.68 9.52 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.694 -0.765 . . . . 63.23 112.492 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -66.28 159.19 27.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.924 0.392 . . . . 30.3 110.878 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 23.3 t -79.63 149.61 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 75.45 111.121 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 17.2 p -113.11 143.09 44.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 52.33 110.845 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 61.9 p -135.63 177.89 7.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 73.1 110.894 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 66.4 p-90 -55.63 -35.26 65.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.182 -0.463 . . . . 73.53 110.866 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -95.85 -24.87 14.2 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.749 -0.738 . . . . 54.21 112.467 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.69 106.68 17.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.859 0.361 . . . . 64.13 110.904 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -106.93 133.3 51.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 74.44 110.864 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -52.18 140.22 21.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 51.23 110.873 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 41.2 m -57.78 -35.53 70.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 64.24 110.915 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -117.8 79.14 1.32 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 63.51 110.87 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 95.9 mt -71.61 -34.3 69.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 73.35 110.935 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -57.82 -35.56 71.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 70.41 110.851 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -92.85 -58.27 2.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 73.55 110.887 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -94.45 144.17 25.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 74.53 110.889 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 6.6 p90 -128.49 176.01 8.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 73.03 110.871 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 89.3 m -114.7 91.54 25.91 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.632 0.73 . . . . 74.31 110.854 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 145.69 58.17 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.705 2.27 . . . . 72.23 112.361 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 5.8 tpt -65.04 107.25 1.46 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 71.01 110.903 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -163.63 172.45 14.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.2 -0.454 . . . . 73.53 110.891 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.462 ' HB2' HD12 ' A' ' 29' ' ' ILE . 92.1 m-85 -51.21 -57.4 8.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 71.41 110.844 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.462 HD12 ' HB2' ' A' ' 28' ' ' PHE . 2.9 mp -124.16 102.18 34.25 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.644 0.735 . . . . 63.43 111.141 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 126.79 13.72 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.688 2.258 . . . . 73.2 112.344 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 26.1 m80 -122.04 156.36 33.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 70.33 110.876 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 34.1 m -87.21 71.33 10.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 70.21 110.879 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.2 ttmt -115.02 130.8 57.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 75.42 110.957 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 24.8 ttmt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 50.32 110.891 179.887 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 21.3 p . . . . . 0 N--CA 1.457 -0.088 0 CA-C-O 120.856 0.36 . . . . 53.14 110.867 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -77.81 112.8 15.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 65.32 111.132 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.5 ptmt -76.4 167.19 22.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 73.53 110.899 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 63.1 tt0 -51.59 128.2 22.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 70.12 110.867 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 103.26 -29.8 11.66 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.736 -0.745 . . . . 64.44 112.482 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -64.27 155.7 31.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.861 0.362 . . . . 54.14 110.916 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.8 t -90.54 149.93 3.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 71.54 111.124 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 34.3 m -116.35 143.81 45.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 73.34 110.861 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 151.97 -33.66 0.87 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.757 -0.735 . . . . 70.2 112.493 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 86.1 m95 -90.84 46.92 1.36 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.781 0.324 . . . . 62.22 110.892 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 64.07 32.66 84.94 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.739 -0.744 . . . . 63.1 112.442 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.65 119.54 39.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.889 0.376 . . . . 74.01 110.874 -179.755 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.5 mmmm -102.55 135.63 43.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.467 . . . . 75.31 110.905 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 72.0 m -58.85 152.61 18.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 74.52 110.82 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 20.2 m -68.16 167.18 14.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 72.54 110.867 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 41.0 m80 -51.85 128.84 25.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.463 . . . . 72.34 110.88 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 96.14 -23.19 35.75 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.774 -0.727 . . . . 71.22 112.502 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.462 HD23 ' HA ' ' A' ' 76' ' ' LYS . 20.1 mt -102.22 160.45 14.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.801 0.334 . . . . 75.11 110.932 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -153.48 159.97 42.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 73.42 110.843 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -116.21 131.5 23.76 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.654 0.74 . . . . 63.23 110.854 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 167.01 25.78 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.631 2.221 . . . . 52.41 112.35 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -97.18 95.35 7.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 61.43 110.944 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -159.59 -174.49 4.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 50.33 111.127 179.795 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -52.19 -65.77 0.5 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 71.11 110.885 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 4.0 mp -127.75 83.0 67.27 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.631 0.729 . . . . 41.32 111.131 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 169.8 17.98 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.659 2.239 . . . . 65.43 112.389 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -143.79 131.24 21.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 71.12 110.926 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 56.0 m -51.43 137.01 24.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 75.34 110.871 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -157.18 146.55 20.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.485 . . . . 72.5 110.885 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.462 ' HA ' HD23 ' A' ' 64' ' ' LEU . 2.9 mmmp? -51.62 118.8 3.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 63.51 110.923 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 18.4 t80 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 74.44 110.973 -179.943 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 30.3 p . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.838 0.351 . . . . 65.02 110.851 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -99.47 114.4 27.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 64.23 111.108 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.9 tttm -58.2 173.88 0.32 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 74.21 110.884 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 70.8 tt0 -58.54 125.27 22.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 64.24 110.895 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.72 -28.8 9.44 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.709 -0.758 . . . . 73.04 112.467 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -59.54 161.03 6.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.838 0.351 . . . . 64.1 110.937 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 90.5 t -79.18 144.34 11.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 63.32 111.144 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 22.7 p -117.78 137.63 52.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 63.15 110.886 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 93.7 p -140.45 -170.03 2.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 61.51 110.845 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 69.9 p-90 -64.19 -35.53 81.1 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.105 -0.498 . . . . 74.25 110.925 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -93.02 -24.88 21.47 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.687 -0.768 . . . . 60.24 112.481 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.0 tppt? -103.76 114.05 28.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.861 0.362 . . . . 61.54 110.889 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.23 129.84 48.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 71.33 110.873 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.589 ' HB3' HD23 ' A' ' 19' ' ' LEU . 2.6 t -58.04 136.34 57.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 71.45 110.92 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 40.5 m -58.16 -36.06 72.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 75.34 110.91 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -120.15 77.22 1.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 72.52 110.869 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.589 HD23 ' HB3' ' A' ' 16' ' ' CYS . 82.7 mt -67.19 -34.7 78.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 54.22 110.96 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -58.37 -35.91 72.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 75.15 110.877 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.6 m-80 -92.79 -58.61 2.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 74.2 110.861 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -94.49 146.08 24.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 64.42 110.853 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 19.7 p90 -124.35 170.8 10.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.488 . . . . 74.32 110.924 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -109.15 87.41 4.8 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.61 0.719 . . . . 54.32 110.903 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 167.2 25.11 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.706 2.271 . . . . 64.42 112.32 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 4.8 tpt -95.7 106.64 18.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 74.21 110.902 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -163.39 177.2 9.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 54.21 110.875 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.441 ' HB2' HD12 ' A' ' 29' ' ' ILE . 97.4 m-85 -51.59 -57.03 10.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 75.32 110.857 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.441 HD12 ' HB2' ' A' ' 28' ' ' PHE . 3.4 mp -123.92 102.29 34.9 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.618 0.723 . . . . 72.31 111.115 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 138.84 38.79 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.673 2.249 . . . . 73.41 112.369 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 35.6 m80 -134.82 165.79 24.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 71.43 110.849 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 34.1 m -100.39 81.08 2.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 74.42 110.905 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 43.4 mmtt -113.33 145.94 40.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.458 . . . . 71.25 110.93 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.3 ptpt . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 63.14 110.873 179.881 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 18.0 p . . . . . 0 N--CA 1.457 -0.085 0 CA-C-O 120.858 0.361 . . . . 70.43 110.878 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.01 112.67 17.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 74.04 111.095 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.6 ptmm? -76.55 168.89 19.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 61.25 110.867 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -51.71 125.8 15.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 75.2 110.923 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 104.7 -29.65 11.46 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.771 -0.728 . . . . 71.34 112.505 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -63.12 153.87 32.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.878 0.371 . . . . 64.31 110.853 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 22.0 t -89.61 149.84 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 54.54 111.093 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 28.1 m -116.49 159.49 21.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 71.45 110.852 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 124.86 -33.32 3.75 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.729 -0.748 . . . . 71.13 112.489 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 43.5 m95 -98.3 56.21 1.16 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.723 0.297 . . . . 74.35 110.881 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 63.71 32.78 85.31 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.728 -0.749 . . . . 63.3 112.451 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -116.95 116.44 27.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.894 0.378 . . . . 73.12 110.824 -179.712 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -108.08 130.43 55.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 63.44 110.858 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 82.3 m -57.84 151.34 18.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 73.23 110.85 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.44 ' HB2' HD12 ' A' ' 64' ' ' LEU . 20.7 m -71.2 170.51 12.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 74.4 110.853 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.7 t-160 -55.16 125.01 18.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 74.24 110.886 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 100.05 -23.17 37.01 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.759 -0.734 . . . . 41.33 112.521 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.576 HD23 ' N ' ' A' ' 76' ' ' LYS . 11.2 mt -99.56 160.49 14.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.759 0.314 . . . . 72.21 110.955 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -151.56 159.41 44.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.46 . . . . 71.45 110.848 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -117.2 131.5 23.98 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.61 0.719 . . . . 61.45 110.942 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 166.94 25.84 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.695 2.263 . . . . 70.35 112.326 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 8.8 mp -97.04 95.18 7.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 53.24 110.898 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -159.71 -174.72 4.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 70.23 111.094 179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 43.7 m-85 -52.38 -65.9 0.48 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 75.11 110.88 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 4.0 mp -127.03 82.92 67.23 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.659 0.742 . . . . 65.3 111.159 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 169.82 17.98 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.708 2.272 . . . . 74.42 112.318 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -143.32 132.21 22.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 72.12 110.916 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 55.7 m -51.64 140.2 19.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 64.43 110.897 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -158.48 141.63 14.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 72.13 110.927 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.576 ' N ' HD23 ' A' ' 64' ' ' LEU . 24.8 mmtp -51.27 118.97 3.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.454 . . . . 72.12 110.885 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 16.7 t80 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 73.44 110.913 -179.978 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 28.2 p . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.875 0.369 . . . . 72.15 110.869 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -105.56 119.28 38.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 74.35 111.084 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.84 174.98 0.22 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 73.44 110.933 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -70.27 137.24 50.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 72.21 110.885 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.64 -28.62 9.77 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.746 -0.74 . . . . 72.14 112.525 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -73.43 161.03 30.89 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.891 0.377 . . . . 70.24 110.878 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.4 t -78.13 150.17 5.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 52.44 111.117 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 20.4 p -112.4 143.17 43.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 44.12 110.868 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 66.8 p -134.68 -173.91 3.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 75.21 110.83 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 51.5 t90 -67.62 -40.47 84.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.131 -0.486 . . . . 54.34 110.898 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -86.62 -24.9 37.28 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.78 -0.724 . . . . 65.35 112.471 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.7 tppt? -103.59 114.24 28.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.8 0.333 . . . . 75.21 110.904 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? -105.6 127.65 53.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 73.3 110.886 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.476 ' HB3' HD23 ' A' ' 19' ' ' LEU . 1.9 t -51.63 141.28 16.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 62.3 110.897 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 37.6 m -59.68 -36.05 75.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 55.12 110.862 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -119.49 76.57 1.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 73.42 110.841 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.476 HD23 ' HB3' ' A' ' 16' ' ' CYS . 94.5 mt -67.45 -35.67 79.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.456 . . . . 75.4 110.906 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -57.74 -36.05 71.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 43.32 110.885 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.3 m-20 -91.92 -58.33 2.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 71.24 110.862 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -94.59 142.75 27.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 74.12 110.88 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 10.2 p90 -130.17 176.46 8.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.469 . . . . 54.42 110.899 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 85.1 m -108.77 87.85 4.82 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.612 0.72 . . . . 74.3 110.889 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 165.69 30.11 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.665 2.244 . . . . 72.1 112.354 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 33.8 mmt -82.45 103.01 11.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 73.03 110.856 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 21.2 pt-20 -163.35 172.13 15.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 71.43 110.857 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.456 ' HB2' HD12 ' A' ' 29' ' ' ILE . 78.7 m-85 -51.95 -57.3 9.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 74.12 110.85 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.456 HD12 ' HB2' ' A' ' 28' ' ' PHE . 3.8 mp -123.88 102.14 35.19 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.617 0.722 . . . . 71.21 111.118 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 121.51 8.19 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.666 2.244 . . . . 75.13 112.373 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 23.6 m80 -114.59 157.73 22.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 73.3 110.86 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 34.6 m -84.89 75.63 10.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 63.4 110.876 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -113.4 147.19 38.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 64.32 110.915 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 75.23 110.9 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 18.1 p . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.861 0.362 . . . . 73.2 110.905 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.3 113.31 17.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 64.11 111.117 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -76.66 168.29 20.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 72.34 110.853 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -51.63 127.58 20.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 73.4 110.88 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 103.71 -29.92 11.27 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.688 -0.768 . . . . 41.13 112.473 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -63.85 154.93 32.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.916 0.388 . . . . 72.21 110.872 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.8 t -90.07 150.13 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 43.34 111.142 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 26.9 m -116.78 153.75 31.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 73.02 110.883 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 131.74 -33.34 2.75 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.73 -0.748 . . . . 44.53 112.456 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 11.8 m95 -97.36 55.69 1.29 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.871 0.367 . . . . 70.52 110.933 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 63.52 32.6 84.71 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.711 -0.757 . . . . 72.52 112.56 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.02 116.47 27.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.916 0.388 . . . . 73.42 110.857 -179.726 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -107.82 132.47 53.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 72.24 110.903 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 75.8 m -58.36 151.26 20.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 62.53 110.876 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 17.3 m -70.03 170.73 10.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 70.02 110.844 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 7.3 m170 -56.15 124.97 19.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 74.44 110.867 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 101.11 -23.39 35.65 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.7 -0.762 . . . . 44.35 112.458 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.486 HD23 ' N ' ' A' ' 76' ' ' LYS . 13.1 mt -101.57 160.04 14.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.85 0.357 . . . . 74.5 110.86 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -150.36 160.9 43.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 72.32 110.832 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -117.29 132.07 23.71 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.607 0.718 . . . . 70.41 110.875 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 166.99 25.79 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.707 2.271 . . . . 74.43 112.329 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 8.8 mp -97.46 95.39 7.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 75.24 110.905 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -159.15 -174.63 4.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 73.02 111.079 179.785 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -52.92 -63.86 1.01 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 71.12 110.89 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 4.1 mp -128.97 82.74 68.12 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.657 0.741 . . . . 54.33 111.153 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.65 169.73 18.1 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.695 2.263 . . . . 73.23 112.396 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -143.45 132.13 22.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 63.24 110.916 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 54.9 m -51.6 136.48 26.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 64.21 110.882 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -156.23 145.87 20.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 72.21 110.885 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.486 ' N ' HD23 ' A' ' 64' ' ' LEU . 22.1 mmtp -51.17 118.95 3.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 75.42 110.927 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 36.4 t80 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 72.31 110.906 -179.937 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.6 p . . . . . 0 C--O 1.23 0.047 0 CA-C-O 120.867 0.365 . . . . 42.42 110.856 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -74.94 135.66 41.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 64.23 111.104 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 16.4 mtmm -58.2 171.62 0.54 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 73.24 110.86 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 63.8 tt0 -64.21 121.87 15.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 61.0 110.847 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.65 -28.71 9.59 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.761 -0.733 . . . . 30.41 112.497 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -62.64 152.67 34.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.888 0.375 . . . . 65.42 110.928 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 58.6 t -66.19 142.51 16.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 55.31 111.163 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 8.8 p -120.55 137.45 54.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 73.11 110.859 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 89.4 p -111.86 -170.2 1.61 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 73.34 110.89 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 7.8 t90 -64.07 -37.52 87.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 74.12 110.91 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -91.69 -24.83 24.64 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.759 -0.734 . . . . 74.21 112.493 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.8 tttt -103.76 113.81 27.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.825 0.345 . . . . 72.21 110.897 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.6 164.21 12.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 73.42 110.851 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 59.6 m -73.45 132.75 43.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 73.32 110.896 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 79.4 m -52.1 -36.14 50.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 72.2 110.889 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 -112.56 97.05 6.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 74.31 110.882 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 70.8 mt -79.46 -35.87 39.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 73.22 110.915 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -59.18 -36.09 74.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 50.24 110.855 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 60.0 m-80 -98.83 -59.87 1.65 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 61.43 110.878 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -94.7 170.81 9.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 70.2 110.89 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 6.1 p90 -162.1 172.53 15.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 64.42 110.875 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -108.89 88.6 5.6 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.633 0.73 . . . . 73.44 110.918 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 159.84 51.93 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.668 2.245 . . . . 55.55 112.335 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 42.6 tpp -91.29 105.53 17.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 73.23 110.882 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -163.39 -178.7 6.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 70.44 110.903 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -51.39 -53.74 33.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 75.44 110.878 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.7 mp -123.92 102.1 35.12 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.6 0.714 . . . . 61.01 111.1 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 121.62 8.3 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.622 2.215 . . . . 70.42 112.333 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 34.3 m80 -115.02 169.13 9.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 75.14 110.848 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 34.6 m -107.2 63.45 0.63 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 63.32 110.882 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.32 168.0 10.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 75.22 110.926 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 34.3 mtmt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 64.21 110.895 179.89 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 26.4 p . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.813 0.339 . . . . 71.42 110.892 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.17 110.57 8.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 54.23 111.087 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.7 ptpp? -75.28 168.95 19.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 74.23 110.885 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 49.1 tt0 -52.01 127.39 21.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 74.44 110.852 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 103.99 -29.71 11.59 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.734 -0.746 . . . . 73.21 112.503 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -63.35 154.99 30.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.902 0.382 . . . . 73.11 110.885 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.408 HG22 ' CE1' ' A' ' 73' ' ' TYR . 21.7 t -92.49 149.35 4.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 61.22 111.113 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 20.5 m -116.39 142.22 47.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 64.02 110.875 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 164.8 -31.46 0.24 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.767 -0.73 . . . . 65.22 112.49 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 81.7 m95 -92.91 40.79 1.06 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.79 0.329 . . . . 74.14 110.937 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 63.46 32.9 85.72 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.717 -0.754 . . . . 55.31 112.545 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.1 m -106.5 116.14 31.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.973 0.416 . . . . 74.31 110.871 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.9 mtpt -82.56 157.44 23.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 71.21 110.874 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 69.8 m -80.94 141.84 34.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 72.2 110.897 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.625 ' HB2' HD12 ' A' ' 64' ' ' LEU . 89.3 m -51.6 167.14 0.11 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 75.12 110.897 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 13.3 m80 -55.96 127.01 28.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 42.42 110.876 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 87.43 18.89 56.28 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.76 -0.733 . . . . 74.41 112.493 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.625 HD12 ' HB2' ' A' ' 61' ' ' CYS . 32.5 mt -141.07 160.09 40.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.82 0.343 . . . . 60.32 110.937 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -153.35 162.28 41.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 64.03 110.835 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -116.26 131.04 24.01 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.627 0.727 . . . . 63.12 110.83 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 166.98 25.74 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.735 2.29 . . . . 74.33 112.342 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 15.9 mt -96.69 95.4 7.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 63.12 110.931 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -160.1 -174.73 4.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 64.13 111.118 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -52.59 -66.12 0.44 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 64.35 110.895 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.6 mp -126.62 82.8 66.22 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.601 0.715 . . . . 74.52 111.096 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 169.72 18.29 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.715 2.277 . . . . 74.31 112.345 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.408 ' CE1' HG22 ' A' ' 53' ' ' VAL . 38.5 m-85 -144.63 131.01 19.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 74.54 110.93 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 55.8 m -51.61 134.52 29.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.098 -0.501 . . . . 54.34 110.857 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.2 pt-20 -155.17 158.66 39.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 75.52 110.916 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 5.7 mmmm -51.47 118.77 3.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.131 -0.486 . . . . 71.32 110.883 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 11.6 t80 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.26 -0.427 . . . . 63.54 110.93 179.999 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.541 -0.224 . . . . 74.11 112.541 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 53.24 54.33 10.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.891 0.377 . . . . 75.11 110.866 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 29.6 p -165.66 151.64 9.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 75.34 110.827 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -83.6 132.7 34.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 73.24 111.062 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.8 mmmm -59.65 175.0 0.39 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 73.32 110.905 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 62.1 tt0 -69.18 123.64 21.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 74.43 110.902 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.78 -28.7 9.71 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.684 -0.77 . . . . 31.22 112.511 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -65.03 159.91 22.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.912 0.387 . . . . 75.42 110.862 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 t -72.63 150.01 8.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 74.32 111.126 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 17.6 p -122.31 142.79 50.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 72.3 110.877 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 91.6 p -123.74 -173.85 2.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 75.21 110.92 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 72.0 t90 -60.04 -38.94 84.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.175 -0.466 . . . . 71.54 110.898 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -92.76 -24.86 22.15 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.772 -0.727 . . . . 64.31 112.464 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.62 106.97 17.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.825 0.345 . . . . 74.3 110.888 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -105.81 144.97 31.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.292 -0.413 . . . . 73.54 110.905 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 61.1 m -52.18 132.43 33.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 64.15 110.871 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 66.9 m -52.18 -36.3 51.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 71.34 110.854 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -113.52 99.39 7.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.471 . . . . 71.02 110.884 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 46.6 mt -79.58 -36.54 38.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 75.41 110.897 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -61.94 -37.05 83.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 64.33 110.863 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -94.26 -58.65 2.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 73.15 110.902 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -97.53 162.01 13.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 73.23 110.896 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -153.09 176.83 11.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 75.13 110.914 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 98.2 m -108.36 88.67 5.15 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.607 0.717 . . . . 71.13 110.883 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 149.21 66.92 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.74 2.293 . . . . 72.33 112.378 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 27.9 ttm -79.93 104.61 10.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 70.24 110.909 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -163.3 -179.24 6.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 72.03 110.865 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.503 ' HB2' HD12 ' A' ' 29' ' ' ILE . 94.7 m-85 -51.99 -55.92 17.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 74.52 110.879 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.503 HD12 ' HB2' ' A' ' 28' ' ' PHE . 3.9 mp -123.83 102.14 35.35 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.628 0.728 . . . . 75.44 111.105 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 121.45 8.14 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.678 2.252 . . . . 61.33 112.338 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 33.3 m80 -114.12 169.38 9.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 74.12 110.799 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 68.8 m -105.19 65.57 0.73 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 72.31 110.856 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.88 165.75 12.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 73.15 110.876 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.5 ttmt -58.5 160.28 5.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 75.53 110.886 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -52.01 155.78 1.75 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 73.44 110.899 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 33.4 mtmt -56.94 159.94 6.72 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.581 0.705 . . . . 74.44 110.913 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 165.95 29.3 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.724 2.283 . . . . 63.55 112.316 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 35.8 p90 -51.98 154.6 2.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.448 . . . . 75.33 110.907 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.436 HG13 ' HD2' ' A' ' 40' ' ' PRO . 58.2 t -70.25 133.33 87.54 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.655 0.74 . . . . 54.4 111.086 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.436 ' HD2' HG13 ' A' ' 39' ' ' VAL . 53.5 Cg_endo -69.8 162.75 40.9 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.682 2.254 . . . . 71.12 112.344 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 38.9 t -51.73 148.1 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 73.23 111.17 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.2 t -51.82 141.57 16.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 64.3 111.171 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.6 166.74 5.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 75.01 111.18 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 22.8 t -89.15 166.15 14.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 63.42 110.873 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -67.92 139.2 56.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 73.5 110.848 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -175.74 157.56 2.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.495 . . . . 43.31 110.912 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 16.9 p -61.78 159.16 14.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 70.21 110.894 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.69 112.26 11.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 73.44 111.147 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -76.91 167.79 21.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 74.44 110.873 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 16.6 tm-20 -51.53 128.19 22.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 70.44 110.879 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 102.55 -29.81 11.72 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.721 -0.752 . . . . 54.33 112.494 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -63.28 154.8 30.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.928 0.394 . . . . 73.42 110.877 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 23.3 t -89.22 149.59 3.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.118 -0.492 . . . . 71.41 111.128 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 34.7 m -116.91 151.61 36.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.448 . . . . 74.12 110.897 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 141.54 -33.49 1.97 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.755 -0.736 . . . . 74.1 112.467 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 19.4 m-90 -94.57 51.48 1.43 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.882 0.372 . . . . 74.32 110.948 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 63.79 32.53 84.49 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.741 -0.742 . . . . 72.11 112.517 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.37 119.44 39.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.976 0.417 . . . . 72.54 110.844 -179.698 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -106.68 127.87 53.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 71.51 110.93 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 72.4 m -55.19 150.08 11.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 72.44 110.868 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 22.1 m -66.68 166.89 12.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 71.13 110.859 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 9.4 p80 -52.14 128.72 25.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 74.41 110.849 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 96.78 -23.27 36.17 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.779 -0.724 . . . . 71.13 112.49 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.602 HD21 ' HE3' ' A' ' 76' ' ' LYS . 13.2 mt -102.96 160.21 14.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.777 0.322 . . . . 50.23 110.929 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -153.18 161.47 42.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.462 . . . . 65.45 110.885 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -115.79 133.69 22.8 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.615 0.722 . . . . 74.13 110.901 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 167.26 25.04 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.703 2.269 . . . . 75.4 112.358 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -97.2 95.19 7.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 70.33 110.921 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -160.07 -174.58 4.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 63.2 111.143 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -52.91 -66.02 0.46 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 55.44 110.84 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.6 mp -126.2 82.71 65.0 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.59 0.71 . . . . 71.14 111.1 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 169.83 18.01 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.663 2.242 . . . . 74.41 112.303 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -143.85 131.29 21.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 73.53 110.95 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 54.3 m -51.2 137.38 22.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 70.11 110.899 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -157.89 147.16 19.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 70.14 110.843 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.602 ' HE3' HD21 ' A' ' 64' ' ' LEU . 27.1 mmtp -51.53 118.87 3.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 70.2 110.871 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -52.1 118.95 3.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 75.3 110.944 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 71.02 110.892 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.496 -0.242 . . . . 45.03 112.496 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -137.48 115.88 11.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.856 0.36 . . . . 74.41 110.864 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 28.0 p -171.93 169.46 5.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.466 . . . . 62.12 110.896 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -89.55 127.68 35.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 43.23 111.124 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 52.3 mtpt -65.26 171.15 4.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 73.32 110.912 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -63.01 121.74 14.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 75.52 110.9 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.75 -28.72 9.66 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.747 -0.739 . . . . 53.22 112.493 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -61.1 161.02 9.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.873 0.368 . . . . 74.35 110.92 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.3 t -75.81 150.51 6.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 64.31 111.113 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.3 p -116.82 142.16 47.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 54.24 110.884 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 97.7 p -137.38 -174.55 3.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 55.14 110.859 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 69.9 p-90 -63.12 -37.9 89.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.117 -0.492 . . . . 73.21 110.927 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -87.63 -24.81 34.67 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.707 -0.758 . . . . 72.03 112.487 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.63 108.9 20.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.869 0.366 . . . . 74.22 110.915 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 34.4 mttp -107.26 125.89 51.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 71.14 110.893 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.601 ' HB3' HD23 ' A' ' 19' ' ' LEU . 0.7 OUTLIER -51.97 134.05 32.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 74.02 110.839 179.934 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -59.82 -35.97 75.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.094 -0.503 . . . . 74.41 110.904 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -118.62 78.68 1.29 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 53.41 110.849 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.601 HD23 ' HB3' ' A' ' 16' ' ' CYS . 57.2 mt -67.39 -35.25 78.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.45 . . . . 65.51 110.938 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -59.04 -35.86 74.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 75.25 110.851 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -90.81 -56.7 3.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 70.3 110.903 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -94.69 138.75 32.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 74.1 110.854 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 5.2 p90 -131.8 159.51 38.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 71.23 110.893 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 76.9 m -108.73 88.87 5.68 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.606 0.717 . . . . 51.34 110.862 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 165.24 31.63 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.691 2.261 . . . . 71.41 112.333 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 87.2 mmm -69.44 106.13 2.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 73.34 110.876 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -163.39 165.44 23.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 72.41 110.873 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -51.88 -56.37 14.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 74.34 110.891 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.425 ' HA ' ' HD2' ' A' ' 30' ' ' PRO . 3.7 mp -123.86 102.24 35.15 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.614 0.721 . . . . 73.34 111.137 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.425 ' HD2' ' HA ' ' A' ' 29' ' ' ILE . 53.9 Cg_endo -69.74 142.03 46.92 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.709 2.273 . . . . 71.02 112.357 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 32.9 m80 -136.9 144.46 43.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 63.32 110.895 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 34.7 m -71.69 81.24 0.85 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.443 . . . . 65.42 110.882 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.87 146.93 39.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 74.13 110.86 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 18.1 mtpt -61.0 156.18 18.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 63.24 110.9 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -52.01 156.59 1.51 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 71.22 110.911 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.4 mmmt -57.81 159.14 10.6 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.565 0.698 . . . . 71.12 110.949 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 166.02 28.98 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.711 2.274 . . . . 70.32 112.334 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -56.14 148.61 17.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.24 -0.436 . . . . 74.12 110.931 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.439 HG13 ' HD2' ' A' ' 40' ' ' PRO . 58.2 t -75.06 133.32 75.63 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.614 0.721 . . . . 52.23 111.108 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.439 ' HD2' HG13 ' A' ' 39' ' ' VAL . 53.9 Cg_endo -69.75 162.78 40.76 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.65 2.234 . . . . 73.22 112.395 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 51.4 t -52.61 143.09 4.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 70.23 111.151 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 69.0 p -53.06 142.09 20.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 74.45 111.156 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.84 162.63 29.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 73.32 111.126 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 53.0 p -86.53 160.11 19.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 71.35 110.863 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -70.53 133.7 47.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 64.5 110.902 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -162.12 145.13 11.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 75.4 110.852 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 17.4 p -61.71 156.27 20.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 64.35 110.919 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.45 110.46 5.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 52.21 111.095 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 46.3 pttt -78.11 163.88 25.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 74.22 110.933 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -50.21 123.75 9.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 71.01 110.893 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 109.95 -29.72 9.04 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.755 -0.736 . . . . 74.23 112.473 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -66.63 150.05 49.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.924 0.392 . . . . 73.41 110.873 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.442 HG11 HG23 ' A' ' 71' ' ' ILE . 35.7 t -82.76 148.59 5.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 72.41 111.104 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 26.9 m -119.75 172.69 7.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 75.13 110.892 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 128.06 -49.76 0.91 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.776 -0.726 . . . . 60.4 112.511 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 82.8 m95 -82.55 56.09 3.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.852 0.358 . . . . 73.53 110.938 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 63.56 32.65 84.86 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.741 -0.742 . . . . 71.02 112.457 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.6 m -103.31 116.83 33.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.916 0.389 . . . . 70.12 110.856 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -107.93 118.61 37.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.104 -0.498 . . . . 73.51 110.898 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 79.6 m -51.9 154.62 2.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 71.23 110.874 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 52.9 m -57.55 161.9 3.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 71.11 110.879 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 13.8 p80 -52.36 116.35 2.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 71.14 110.856 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 109.35 -23.27 23.09 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.728 -0.748 . . . . 70.34 112.445 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.427 HD23 ' C ' ' A' ' 75' ' ' GLU . 11.6 mt -102.54 153.69 19.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.797 0.332 . . . . 73.05 110.932 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -144.01 163.81 32.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 73.42 110.896 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -114.65 141.09 26.16 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.622 0.725 . . . . 75.32 110.831 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 167.88 23.1 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.696 2.264 . . . . 72.34 112.36 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 29.3 mt -96.37 95.07 7.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 74.13 110.911 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -163.6 -174.77 3.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 31.13 111.091 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -56.81 -66.55 0.43 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 64.23 110.848 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.442 HG23 HG11 ' A' ' 53' ' ' VAL . 3.5 mp -118.63 82.02 19.27 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.62 0.724 . . . . 72.24 111.109 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 169.83 17.94 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.652 2.234 . . . . 75.53 112.345 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -143.86 130.67 20.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 63.02 110.891 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 58.6 m -51.5 139.21 20.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 64.2 110.855 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.427 ' C ' HD23 ' A' ' 64' ' ' LEU . 8.3 pt-20 -157.94 160.64 37.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 53.2 110.876 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 30.8 mmtp -51.8 118.86 3.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 62.35 110.946 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 88.9 t80 -61.21 125.31 23.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.289 -0.414 . . . . 72.51 110.917 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 10.4 mmm180 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 63.13 110.915 -179.985 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 N-CA-C 112.501 -0.24 . . . . 50.41 112.501 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -68.0 113.96 6.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.877 0.37 . . . . 72.21 110.861 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 24.5 p -170.18 171.74 6.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 71.14 110.928 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.665 ' HB2' ' HG2' ' A' ' 14' ' ' LYS . . . -96.87 159.52 14.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 73.11 111.111 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 20.4 mttp -78.81 174.58 11.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 73.5 110.877 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 62.4 tt0 -70.39 119.77 15.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 75.43 110.888 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.69 -28.67 9.7 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.756 -0.735 . . . . 42.21 112.524 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -60.65 156.02 17.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.912 0.387 . . . . 54.24 110.842 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.4 t -72.69 150.46 8.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.475 . . . . 75.45 111.148 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 31.9 p -116.38 137.52 52.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 70.33 110.88 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 94.9 p -116.8 -171.55 2.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 74.24 110.84 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 32.3 t90 -61.06 -36.61 80.07 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.1 -0.5 . . . . 74.12 110.911 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -95.28 -24.89 15.22 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.754 -0.736 . . . . 75.23 112.502 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.665 ' HG2' ' HB2' ' A' ' 4' ' ' ALA . 1.5 ttpt -103.03 108.41 19.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.889 0.376 . . . . 71.13 110.928 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -107.39 143.68 35.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 73.32 110.872 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 92.2 m -52.07 119.65 4.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 62.34 110.894 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -52.14 -39.32 59.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 74.31 110.902 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -103.17 94.64 5.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 61.21 110.842 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 71.4 mt -82.04 -37.49 26.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 74.22 110.869 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -59.58 -36.11 75.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 75.0 110.893 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -99.26 -59.06 1.79 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 71.13 110.85 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -95.07 170.79 9.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 74.23 110.913 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -166.12 176.83 7.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 73.22 110.879 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 90.1 m -108.36 88.75 5.22 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.653 0.739 . . . . 74.34 110.911 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 158.25 57.56 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.707 2.271 . . . . 42.11 112.312 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 17.8 ttm -81.17 102.36 10.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 75.51 110.896 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -163.32 176.75 9.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 53.02 110.876 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.415 ' HB2' HD12 ' A' ' 29' ' ' ILE . 97.4 m-85 -51.95 -57.09 10.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 74.4 110.896 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.415 HD12 ' HB2' ' A' ' 28' ' ' PHE . 3.8 mp -123.84 102.13 35.35 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.577 0.703 . . . . 74.41 111.139 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 29' ' ' ILE . 53.6 Cg_endo -69.76 121.43 8.12 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.672 2.248 . . . . 75.54 112.325 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 31.6 m80 -114.2 143.61 44.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 74.4 110.86 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 82.4 m -76.92 64.47 2.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 54.4 110.882 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.1 ptpt -113.38 168.49 9.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 55.51 110.902 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.2 mtpm? -68.22 160.3 29.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 75.02 110.844 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -55.35 157.56 3.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 73.32 110.896 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -127.28 157.32 72.92 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.603 0.716 . . . . 55.32 110.874 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 166.02 29.01 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.666 2.244 . . . . 62.42 112.379 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -64.2 123.2 18.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 63.42 110.923 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.442 HG13 ' HD2' ' A' ' 40' ' ' PRO . 58.4 t -131.89 133.34 23.94 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.643 0.735 . . . . 65.13 111.121 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.442 ' HD2' HG13 ' A' ' 39' ' ' VAL . 53.4 Cg_endo -69.81 124.1 10.73 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.707 2.271 . . . . 75.44 112.323 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 39.5 t -101.59 135.71 36.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 52.01 111.124 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 22.2 p -80.76 160.65 24.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 74.35 111.189 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 4.5 p -85.99 76.85 9.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 72.41 111.148 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.0 p -88.87 165.56 14.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 72.32 110.894 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -77.28 148.52 35.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 75.2 110.904 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 35.6 t30 -161.05 151.69 18.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 71.14 110.886 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 6.7 p -129.61 156.95 43.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 63.11 110.871 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.03 114.38 13.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 73.52 111.11 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.2 ptmm? -77.54 163.76 26.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.266 -0.425 . . . . 71.01 110.915 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 -50.46 124.15 10.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 53.11 110.866 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 109.87 -29.71 9.09 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.745 -0.74 . . . . 75.54 112.507 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -66.58 150.46 48.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.883 0.373 . . . . 64.23 110.861 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.446 ' CG1' HG23 ' A' ' 71' ' ' ILE . 44.6 t -83.48 147.67 5.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 71.11 111.12 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 27.4 m -118.45 178.62 4.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 54.22 110.908 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 111.25 -34.5 5.26 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.699 -0.762 . . . . 74.44 112.501 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 95.6 m95 -89.2 48.96 1.69 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.79 0.328 . . . . 74.52 110.892 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 63.58 32.59 84.66 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.758 -0.734 . . . . 70.21 112.442 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -114.51 121.22 42.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.925 0.393 . . . . 44.41 110.872 -179.748 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.92 132.65 47.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.09 -0.504 . . . . 72.0 110.861 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 85.8 m -58.58 161.44 4.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 73.12 110.874 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.55 ' HB2' HD12 ' A' ' 64' ' ' LEU . 86.0 m -68.85 169.07 12.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.481 . . . . 72.54 110.885 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 9.6 t-160 -56.45 115.59 2.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 71.44 110.871 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 97.34 18.82 27.45 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.714 -0.755 . . . . 71.55 112.516 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.55 HD12 ' HB2' ' A' ' 61' ' ' CYS . 16.2 mt -141.53 149.18 40.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.808 0.337 . . . . 73.54 110.928 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -144.31 164.78 29.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 64.34 110.847 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -114.28 140.06 24.58 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.635 0.731 . . . . 74.31 110.875 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 167.79 23.36 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.647 2.232 . . . . 64.01 112.352 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 44.8 mt -93.67 95.1 8.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 61.25 110.943 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -163.18 -174.64 3.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 70.21 111.105 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.513 ' HB3' HD12 ' A' ' 71' ' ' ILE . 3.9 m-85 -58.29 -66.56 0.46 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 73.31 110.891 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.513 HD12 ' HB3' ' A' ' 70' ' ' PHE . 4.4 mp -118.22 82.04 17.72 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.601 0.715 . . . . 72.34 111.179 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 169.73 18.21 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.645 2.23 . . . . 71.23 112.303 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.401 ' CE1' HG22 ' A' ' 71' ' ' ILE . 33.5 m-85 -143.16 130.55 21.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 53.5 110.923 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 55.7 m -51.3 138.97 20.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.505 . . . . 71.04 110.905 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.438 ' C ' HD23 ' A' ' 64' ' ' LEU . 2.3 pp20? -157.98 156.55 31.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 75.35 110.847 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -51.66 118.85 3.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 74.03 110.925 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 10.1 p90 -52.15 137.9 26.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 72.04 110.92 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 72.51 110.846 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.473 -0.251 . . . . 51.33 112.473 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -112.91 98.92 7.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.854 0.359 . . . . 74.45 110.806 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 17.3 p -172.0 167.98 6.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 73.41 110.884 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -91.18 119.81 31.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 62.25 111.146 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.17 175.39 1.28 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 54.52 110.891 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -60.61 116.46 4.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 75.22 110.887 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.57 -28.71 14.62 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.743 -0.741 . . . . 73.22 112.477 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -57.42 160.91 3.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.899 0.38 . . . . 72.52 110.877 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 20.7 t -83.17 150.98 4.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 75.24 111.124 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 17.5 p -111.71 142.68 43.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 72.24 110.918 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 64.6 p -149.41 -179.4 7.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 72.12 110.858 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 34.2 t90 -56.84 -35.55 68.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.139 -0.482 . . . . 71.03 110.923 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -94.17 -24.88 18.16 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.727 -0.749 . . . . 75.23 112.475 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -103.76 106.49 17.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.855 0.359 . . . . 74.32 110.884 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.3 mmpt? -107.77 123.27 48.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 75.23 110.896 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.452 ' HB3' HD23 ' A' ' 19' ' ' LEU . 0.9 OUTLIER -51.91 145.37 10.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 64.11 110.912 179.93 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -64.09 -46.88 82.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 75.35 110.934 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -110.81 77.02 1.01 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 70.35 110.837 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.452 HD23 ' HB3' ' A' ' 16' ' ' CYS . 78.4 mt -62.02 -35.28 78.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.214 -0.448 . . . . 74.44 110.932 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -56.45 -35.96 68.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 75.33 110.912 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 52.8 m-20 -92.5 -55.43 3.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 74.53 110.919 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -94.43 135.92 35.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 75.33 110.902 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 20.6 p90 -129.27 175.68 8.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 74.44 110.966 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 66.6 m -109.22 87.11 4.61 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.573 0.701 . . . . 72.13 110.915 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 158.42 56.95 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.668 2.245 . . . . 73.05 112.332 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 34.0 tpp -70.7 102.99 2.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 71.45 110.891 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -163.67 168.29 20.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 65.53 110.872 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -51.32 -57.08 9.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 75.43 110.884 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.3 mp -124.04 102.29 34.51 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.651 0.738 . . . . 73.34 111.138 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 123.28 9.93 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.663 2.242 . . . . 60.51 112.324 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 23.3 m80 -117.64 151.27 37.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 74.45 110.892 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 34.1 m -71.8 81.16 0.88 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 44.12 110.871 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.1 ttmt -115.6 130.84 57.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 65.22 110.907 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.2 ptpt -64.69 153.54 39.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 73.12 110.926 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -51.66 153.64 2.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.249 -0.432 . . . . 73.14 110.904 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 36.7 mtpt -52.64 159.92 1.56 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.596 0.712 . . . . 52.11 110.868 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 166.03 29.05 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.673 2.249 . . . . 70.05 112.331 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -53.47 145.85 13.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 74.45 110.94 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.423 HG13 ' HD2' ' A' ' 40' ' ' PRO . 58.4 t -80.92 133.31 55.03 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.646 0.736 . . . . 73.42 111.13 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.423 ' HD2' HG13 ' A' ' 39' ' ' VAL . 53.9 Cg_endo -69.74 156.77 62.53 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.673 2.249 . . . . 73.31 112.364 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 38.7 t -55.77 147.67 4.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 61.23 111.155 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 14.1 p -60.26 155.24 18.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 51.04 111.122 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.95 163.06 20.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.458 . . . . 75.03 111.123 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.4 t -79.81 158.56 26.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 63.11 110.886 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -79.04 160.83 26.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 74.24 110.854 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -159.03 144.14 16.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 53.45 110.928 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 19.3 p -62.99 159.28 17.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 51.55 110.893 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -78.07 113.42 15.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 73.12 111.111 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 47.3 pttt -76.18 166.79 22.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 73.01 110.898 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -51.6 128.7 23.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.226 -0.443 . . . . 72.42 110.894 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 102.74 -29.84 11.65 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.785 -0.721 . . . . 64.12 112.499 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -63.83 155.81 29.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.874 0.369 . . . . 43.4 110.893 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 22.1 t -90.05 149.45 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 72.43 111.186 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 33.8 m -116.61 143.57 45.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 73.42 110.871 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 154.26 -33.42 0.71 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.765 -0.731 . . . . 45.44 112.539 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 22.7 m-90 -91.53 46.35 1.29 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.802 0.334 . . . . 73.32 110.969 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 64.22 32.67 84.96 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.732 -0.747 . . . . 73.34 112.442 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -109.29 116.89 32.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.961 0.41 . . . . 74.14 110.866 -179.78 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.6 mmmm -99.71 133.42 44.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.092 -0.504 . . . . 62.14 110.908 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 74.2 m -57.8 151.42 17.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 63.11 110.855 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 25.4 m -65.63 167.07 9.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 75.51 110.88 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 5.9 p-80 -52.23 128.39 24.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 75.54 110.894 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 96.8 -23.34 35.87 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.722 -0.752 . . . . 65.33 112.478 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.452 HD23 ' HA ' ' A' ' 76' ' ' LYS . 20.8 mt -102.21 160.5 14.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.805 0.335 . . . . 73.22 110.96 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -153.87 160.31 42.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 54.02 110.885 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -116.24 132.15 23.43 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.638 0.732 . . . . 72.14 110.901 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 167.03 25.6 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.72 2.28 . . . . 62.32 112.342 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -97.12 95.29 7.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 73.42 110.921 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -159.66 -174.4 4.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 74.1 111.04 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -52.18 -65.84 0.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 64.03 110.863 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.9 mp -127.75 82.96 67.35 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.633 0.73 . . . . 75.01 111.111 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 169.83 18.07 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.644 2.23 . . . . 61.55 112.351 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -143.49 131.71 21.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 74.31 110.892 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 55.3 m -51.47 137.51 23.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 62.3 110.881 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -158.09 147.2 19.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 63.42 110.86 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.452 ' HA ' HD23 ' A' ' 64' ' ' LEU . 26.5 mmtp -51.26 118.73 3.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 75.14 110.882 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -65.05 132.68 49.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 73.43 110.982 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 19.1 tpt180 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 70.53 110.91 -179.982 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.464 -0.254 . . . . 61.24 112.464 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -106.73 94.5 5.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.867 0.365 . . . . 74.45 110.833 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 30.1 p -171.86 169.54 5.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 65.21 110.827 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -104.91 132.51 51.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 70.41 111.094 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.67 167.8 1.39 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 73.13 110.887 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 59.7 tt0 -63.39 125.34 23.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 51.34 110.87 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.19 -28.78 9.88 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.743 -0.741 . . . . 75.3 112.482 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -62.58 158.64 17.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.904 0.383 . . . . 74.13 110.908 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 59.9 t -73.96 145.93 10.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 73.52 111.083 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 17.6 p -121.2 151.42 39.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 62.41 110.822 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 66.7 p -138.89 -174.52 3.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 72.41 110.869 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 68.9 t90 -57.27 -36.09 70.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.16 -0.473 . . . . 72.12 110.863 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -95.26 -24.84 15.41 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.733 -0.746 . . . . 54.23 112.484 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.7 tppt? -101.7 109.99 21.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.88 0.372 . . . . 74.32 110.849 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.9 mtpp -106.84 134.21 50.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 74.21 110.939 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 80.0 m -51.96 135.11 31.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 71.2 110.882 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 57.5 m -54.24 -43.69 71.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 74.11 110.905 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -103.64 98.27 8.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 65.3 110.828 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 68.0 mt -84.77 -36.19 21.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 74.5 110.943 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -61.98 -36.02 80.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 63.35 110.882 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 19.8 m120 -97.01 -56.69 2.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 71.41 110.9 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -95.9 163.23 13.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 64.14 110.911 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -156.09 176.89 12.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 72.32 110.929 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 98.4 m -108.37 88.71 5.19 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.634 0.731 . . . . 51.33 110.885 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 162.53 41.7 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.683 2.256 . . . . 54.43 112.36 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.4 107.07 16.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 61.32 110.904 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -163.31 172.1 15.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 75.15 110.879 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 51.9 m-85 -52.05 -49.8 62.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 75.13 110.876 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.4 mt -123.74 102.16 35.62 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.592 0.71 . . . . 34.5 111.152 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 121.39 8.08 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.65 2.233 . . . . 64.25 112.343 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 34.9 m170 -111.39 175.98 5.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 74.44 110.834 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 36.4 m -109.15 57.42 0.61 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 74.41 110.915 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 28.0 mtmt -113.39 170.89 7.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 72.25 110.913 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.2 ptpt -86.24 160.18 19.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 53.15 110.906 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -51.97 155.82 1.71 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 75.52 110.925 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.6 mmtm -66.01 159.75 68.23 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.627 0.727 . . . . 75.41 110.886 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 165.97 29.1 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.655 2.237 . . . . 72.13 112.365 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -61.19 147.19 45.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 71.13 110.94 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.424 HG13 ' HD2' ' A' ' 40' ' ' PRO . 58.3 t -88.05 133.3 37.48 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.652 0.739 . . . . 74.11 111.089 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.424 ' HD2' HG13 ' A' ' 39' ' ' VAL . 54.1 Cg_endo -69.76 159.69 52.46 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.692 2.261 . . . . 71.1 112.383 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 53.6 t -53.52 145.74 3.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 75.22 111.122 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.0 m -53.15 139.81 27.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 75.15 111.13 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 15.1 t -57.36 170.17 0.54 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 65.11 111.133 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 27.5 m -81.49 157.36 24.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 64.35 110.867 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 -78.7 130.64 36.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 74.44 110.885 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -172.77 126.3 0.48 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.133 -0.485 . . . . 64.13 110.863 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 16.7 p -61.98 161.53 10.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 64.31 110.865 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.35 112.08 16.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 54.4 111.096 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 53.9 mttp -76.12 167.84 21.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.447 . . . . 72.13 110.947 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -51.72 129.44 26.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 64.11 110.928 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 101.09 -29.91 11.5 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.76 -0.733 . . . . 72.34 112.513 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 49.8 mm-40 -63.13 153.43 34.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.929 0.395 . . . . 70.41 110.872 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.7 t -87.97 149.91 3.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 71.44 111.145 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 35.6 m -116.44 144.36 44.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 62.1 110.895 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 147.45 -34.07 1.29 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.725 -0.75 . . . . 72.51 112.513 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 88.1 m95 -90.68 49.09 1.61 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.797 0.332 . . . . 74.41 110.883 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 64.06 32.78 85.31 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.716 -0.754 . . . . 23.52 112.472 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -112.11 123.95 51.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.957 0.408 . . . . 61.15 110.83 -179.753 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.9 mmtt -109.51 130.48 55.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.093 -0.503 . . . . 70.45 110.858 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 71.8 m -54.32 151.41 7.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 74.44 110.885 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 18.0 m -68.65 168.83 12.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 74.04 110.875 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 38.1 m-70 -53.74 127.16 24.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 73.2 110.905 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 98.56 -23.31 36.78 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.746 -0.74 . . . . 74.11 112.489 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.437 HD23 ' N ' ' A' ' 76' ' ' LYS . 15.0 mt -102.24 160.51 14.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.824 0.345 . . . . 74.32 110.909 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -152.61 159.12 43.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 73.11 110.84 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -115.54 132.59 23.05 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.621 0.724 . . . . 62.52 110.895 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 166.81 26.34 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.693 2.262 . . . . 62.44 112.359 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -97.04 95.39 7.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 70.05 110.943 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -159.74 -174.71 4.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 74.33 111.094 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -52.27 -65.99 0.46 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 74.42 110.851 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.7 mp -127.19 82.83 67.45 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.626 0.727 . . . . 73.32 111.103 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 169.74 18.23 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.669 2.246 . . . . 72.02 112.324 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -143.39 131.41 21.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 75.35 110.965 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 55.4 m -51.77 137.88 24.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 71.31 110.873 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -158.05 146.66 19.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 62.12 110.919 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.437 ' N ' HD23 ' A' ' 64' ' ' LEU . 61.7 mmtt -51.49 118.88 3.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 72.05 110.928 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -53.16 119.89 5.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 74.11 110.91 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 31.9 mtm180 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.107 -0.497 . . . . 62.34 110.9 -179.995 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.452 -0.259 . . . . 71.33 112.452 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -88.89 73.16 8.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.824 0.345 . . . . 62.23 110.832 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.0 p -171.98 171.64 4.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 60.23 110.896 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -93.85 134.68 35.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 25.55 111.065 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.6 tttm -58.92 162.36 4.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 74.04 110.877 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 61.1 tt0 -61.38 113.72 2.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 73.32 110.859 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.99 -28.66 15.01 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.694 -0.765 . . . . 74.34 112.481 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -60.31 160.22 8.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.847 0.356 . . . . 70.1 110.891 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.5 t -71.44 150.29 9.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 74.34 111.184 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.5 p -119.32 142.2 48.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 53.03 110.826 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.3 p -128.97 -179.0 4.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 71.21 110.887 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 56.2 t90 -57.48 -36.23 71.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 75.01 110.918 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -93.91 -24.8 19.14 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.708 -0.758 . . . . 75.24 112.469 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.6 ttpt -102.41 110.67 22.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.852 0.358 . . . . 73.44 110.901 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.2 mmmm -107.55 150.66 26.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 74.14 110.878 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 27.1 m -73.9 130.41 39.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 70.14 110.864 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -52.21 -45.15 65.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.499 . . . . 65.33 110.866 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -99.14 87.34 3.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 72.55 110.883 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 91.6 mt -79.2 -36.07 40.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 75.13 110.908 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -63.63 -36.03 82.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 64.53 110.859 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -92.5 -56.39 3.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 72.23 110.871 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -99.99 157.08 16.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 73.13 110.864 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -148.97 176.82 10.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.117 -0.492 . . . . 75.12 110.944 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.407 ' HA ' ' HD2' ' A' ' 25' ' ' PRO . 87.9 m -108.32 88.74 5.17 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.632 0.73 . . . . 32.43 110.913 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 24' ' ' CYS . 53.7 Cg_endo -69.74 152.38 69.42 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.705 2.27 . . . . 51.32 112.326 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -74.77 106.94 6.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 53.1 110.875 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -163.3 179.27 7.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.451 . . . . 72.34 110.873 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.433 ' HB2' HD12 ' A' ' 29' ' ' ILE . 54.8 m-85 -51.94 -56.94 11.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 71.42 110.896 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.433 HD12 ' HB2' ' A' ' 28' ' ' PHE . 3.8 mp -123.84 102.21 35.26 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.613 0.72 . . . . 74.45 111.122 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 121.55 8.23 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.676 2.25 . . . . 74.34 112.328 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 30.7 m80 -114.26 169.88 8.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 65.24 110.854 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 84.8 m -97.69 59.39 1.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 53.31 110.932 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.2 ptpt -113.34 170.95 7.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 74.33 110.897 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.3 ptmt -86.58 160.36 18.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 70.05 110.897 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -51.98 155.77 1.73 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.257 -0.428 . . . . 71.24 110.92 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 44.1 mtpt -87.95 159.89 47.66 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.555 0.693 . . . . 74.34 110.894 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 125.06 11.7 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.657 2.238 . . . . 63.32 112.381 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -56.61 141.59 42.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 64.44 110.94 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.445 HG13 ' HD2' ' A' ' 40' ' ' PRO . 58.3 t -126.86 133.33 24.92 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.631 0.729 . . . . 70.3 111.121 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.445 ' HD2' HG13 ' A' ' 39' ' ' VAL . 53.9 Cg_endo -69.76 126.11 12.93 Favored 'Trans proline' 0 N--CA 1.466 -0.145 0 C-N-CA 122.691 2.261 . . . . 75.23 112.341 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 51.8 t -76.99 140.61 16.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 74.25 111.18 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 66.4 p -55.2 162.32 1.46 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 72.25 111.124 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 64.31 36.79 8.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 74.41 111.143 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.5 t -76.42 166.17 23.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.425 . . . . 63.23 110.844 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -85.13 161.1 19.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 74.02 110.855 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -172.84 155.28 3.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 43.04 110.87 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 28.5 p -62.3 167.18 4.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 71.3 110.866 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -92.79 113.21 25.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 64.42 111.122 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -77.6 168.93 19.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 73.01 110.873 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -51.92 125.81 16.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 52.23 110.889 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 105.43 -30.0 10.57 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.724 -0.75 . . . . 61.15 112.454 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -63.4 155.69 28.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.859 0.361 . . . . 63.1 110.916 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 22.0 t -90.4 149.45 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 51.51 111.137 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 27.9 m -116.8 146.12 43.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 61.44 110.9 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 145.35 -33.53 1.57 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.751 -0.738 . . . . 72.3 112.46 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 83.1 m95 -90.51 47.27 1.41 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.757 0.313 . . . . 75.1 110.9 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 64.05 32.36 83.94 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.789 -0.72 . . . . 51.43 112.446 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.54 120.04 40.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.956 0.408 . . . . 73.31 110.867 -179.792 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.89 135.93 41.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.505 . . . . 72.13 110.863 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 93.6 m -57.34 146.66 28.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 54.53 110.852 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 33.1 m -63.22 170.44 2.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 71.44 110.882 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 17.1 p80 -57.62 123.48 15.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 52.52 110.863 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 93.81 18.67 36.81 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.711 -0.757 . . . . 55.0 112.471 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 13.2 mt -141.7 160.13 40.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.812 0.339 . . . . 74.42 110.941 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -151.23 159.33 44.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 45.1 110.91 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -116.74 133.31 23.06 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.639 0.733 . . . . 73.33 110.887 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 167.12 25.32 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.668 2.245 . . . . 75.25 112.327 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 8.8 mp -97.6 95.54 7.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 63.21 110.912 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -159.37 -174.47 4.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 53.53 111.109 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.402 ' HB2' HD12 ' A' ' 71' ' ' ILE . 22.3 m-85 -53.04 -64.1 0.93 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 74.55 110.856 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.402 HD12 ' HB2' ' A' ' 70' ' ' PHE . 4.3 mp -128.63 82.6 68.3 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.644 0.735 . . . . 75.43 111.138 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 169.76 18.17 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.699 2.266 . . . . 62.41 112.341 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 43.5 m-85 -143.61 132.15 22.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 73.41 110.914 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 54.6 m -51.55 137.49 24.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 70.24 110.908 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -156.08 151.56 26.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 75.23 110.868 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 52.9 mmtt -51.71 119.01 3.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 75.21 110.915 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -56.09 137.13 51.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 73.33 110.901 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 75.54 110.859 -179.968 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.43 -0.268 . . . . 44.44 112.43 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -146.14 178.4 8.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.84 0.352 . . . . 62.31 110.863 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 27.2 p -168.81 169.31 9.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 73.35 110.898 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.433 ' HB2' ' HG2' ' A' ' 14' ' ' LYS . . . -96.66 159.85 14.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.462 . . . . 74.55 111.099 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.1 mmmt -77.56 172.88 12.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 63.52 110.851 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 61.8 tt0 -70.53 118.14 12.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 73.34 110.867 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.68 -28.71 9.6 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.713 -0.756 . . . . 44.1 112.481 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 54.3 mm-40 -61.47 148.04 43.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.885 0.374 . . . . 60.12 110.91 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.4 t -62.18 150.47 8.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 73.21 111.151 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.6 p -113.29 141.93 46.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 14.31 110.834 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 77.4 p -114.28 -173.71 2.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 72.11 110.875 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 51.1 t90 -62.77 -35.66 80.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 73.12 110.941 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -99.42 -24.83 9.81 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.704 -0.76 . . . . 43.31 112.472 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.433 ' HG2' ' HB2' ' A' ' 4' ' ' ALA . 0.0 OUTLIER -100.59 106.54 18.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.854 0.359 . . . . 74.12 110.905 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -107.57 157.34 18.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 73.32 110.866 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 56.5 m -57.77 122.74 13.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 63.05 110.87 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -52.23 -36.14 51.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 75.24 110.911 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -114.27 100.2 8.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 75.52 110.854 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 77.2 mt -80.63 -36.34 32.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 74.43 110.905 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -61.88 -36.05 80.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 74.43 110.848 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -96.33 -58.57 2.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 72.24 110.91 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -94.72 164.72 12.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 74.51 110.878 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -164.1 158.65 19.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.492 . . . . 72.12 110.914 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.5 m -111.82 88.46 9.82 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.599 0.714 . . . . 62.53 110.933 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 170.57 16.26 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.737 2.291 . . . . 63.35 112.286 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 18.7 mtp -80.55 108.69 14.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.457 . . . . 55.43 110.884 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 21.1 pt-20 -163.31 178.36 8.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 75.02 110.893 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.47 ' HB2' HD12 ' A' ' 29' ' ' ILE . 95.8 m-85 -52.04 -57.02 10.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 73.34 110.903 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.47 HD12 ' HB2' ' A' ' 28' ' ' PHE . 3.7 mp -123.89 102.12 35.2 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.668 0.747 . . . . 63.23 111.146 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 121.45 8.15 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.68 2.253 . . . . 70.0 112.386 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 23.0 m80 -114.47 176.84 4.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 75.5 110.847 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 85.2 m -115.01 66.41 0.69 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 71.3 110.878 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.1 mtpt -113.49 167.71 10.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 51.14 110.916 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.1 tppt? -66.88 160.27 26.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 73.44 110.9 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -52.66 157.82 1.48 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 74.24 110.924 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 33.2 mtmt -55.25 159.93 3.85 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.563 0.697 . . . . 74.14 110.883 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 166.0 29.1 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.661 2.241 . . . . 62.41 112.366 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -52.07 127.39 21.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.253 -0.43 . . . . 62.21 110.906 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.425 HG13 ' HD2' ' A' ' 40' ' ' PRO . 58.7 t -104.92 133.29 20.22 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.638 0.732 . . . . 73.1 111.088 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.425 ' HD2' HG13 ' A' ' 39' ' ' VAL . 53.4 Cg_endo -69.83 161.76 44.7 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.653 2.235 . . . . 75.14 112.322 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 23.2 t -58.02 121.69 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 54.34 111.116 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.18 162.4 13.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 71.42 111.155 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.86 139.94 20.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 74.44 111.116 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 55.0 p -56.52 126.32 26.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 72.05 110.863 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -101.31 137.44 39.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 73.43 110.874 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -135.2 35.38 3.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 73.01 110.896 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 4.9 p -145.96 159.79 42.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 65.14 110.881 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.88 112.17 9.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 72.32 111.077 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 31.0 mttt -76.06 167.94 20.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 74.34 110.899 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -51.68 127.38 20.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 75.3 110.838 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 103.44 -29.8 11.6 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.72 -0.752 . . . . 64.35 112.483 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -63.66 155.23 30.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.881 0.372 . . . . 70.23 110.934 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.4 t -89.32 150.44 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 73.13 111.127 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 34.5 m -116.55 167.76 10.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 70.44 110.839 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 114.52 -34.17 5.04 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.731 -0.747 . . . . 64.21 112.508 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 9.7 m0 -92.3 45.28 1.2 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.81 0.338 . . . . 74.52 110.936 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 70.54 32.61 67.63 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.723 -0.751 . . . . 61.05 112.5 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -116.71 119.39 35.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.941 0.401 . . . . 74.04 110.882 -179.717 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.87 135.64 46.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 74.24 110.906 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 71.2 m -65.79 142.09 58.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.274 -0.421 . . . . 72.21 110.904 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 34.9 m -60.65 169.21 1.89 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 73.43 110.885 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -55.4 127.77 31.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 74.22 110.858 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 98.97 -23.22 37.3 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.773 -0.727 . . . . 74.4 112.484 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 76' ' ' LYS . 12.7 mt -102.52 160.43 14.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.799 0.333 . . . . 62.51 110.893 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -152.21 161.17 43.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 74.5 110.83 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -116.54 132.81 23.15 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.629 0.728 . . . . 75.34 110.925 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 166.9 26.06 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.704 2.269 . . . . 73.33 112.36 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 93.6 mt -97.04 95.43 7.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 72.21 110.885 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -159.94 -174.62 4.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 61.2 111.095 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.421 ' HB2' HD12 ' A' ' 71' ' ' ILE . 47.4 m-85 -52.42 -65.94 0.47 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 72.43 110.895 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.421 HD12 ' HB2' ' A' ' 70' ' ' PHE . 3.6 mp -127.03 82.84 67.39 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.644 0.735 . . . . 64.3 111.147 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 169.7 18.27 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.702 2.268 . . . . 74.2 112.311 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -143.59 132.02 22.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 73.12 110.911 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 55.5 m -51.52 136.8 25.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 61.25 110.862 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -157.07 147.27 21.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 74.53 110.878 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.41 ' HA ' HD23 ' A' ' 64' ' ' LEU . 27.4 mmtp -51.1 118.94 3.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 72.31 110.898 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -60.8 140.22 57.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 74.24 110.892 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 17.7 ttt85 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.055 -0.52 . . . . 71.13 110.853 -179.978 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.465 -0.254 . . . . 43.01 112.465 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -117.41 146.86 43.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.862 0.363 . . . . 73.34 110.889 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.9 p -171.93 170.61 5.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 54.35 110.853 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.728 ' HB2' ' HD2' ' A' ' 14' ' ' LYS . . . -97.78 121.03 39.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 45.53 111.05 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.65 175.0 1.55 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 74.05 110.868 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 71.3 tt0 -66.0 128.73 37.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 64.24 110.902 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.6 -28.65 9.68 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.757 -0.735 . . . . 63.01 112.516 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -67.42 161.0 26.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.928 0.394 . . . . 72.11 110.85 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 39.7 t -78.08 148.01 6.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 73.2 111.111 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 24.9 p -119.27 139.76 51.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 53.21 110.881 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 84.7 p -137.33 -172.67 3.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 64.32 110.86 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 67.9 p-90 -61.99 -38.49 88.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.153 -0.476 . . . . 72.51 110.924 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -89.65 -24.86 29.33 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.74 . . . . 74.34 112.439 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.728 ' HD2' ' HB2' ' A' ' 4' ' ' ALA . 0.1 OUTLIER -103.51 108.63 19.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.858 0.361 . . . . 73.43 110.911 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 45.5 mmtt -100.94 124.73 47.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 73.35 110.875 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.547 ' HA ' ' HB3' ' A' ' 4' ' ' ALA . 1.7 t -51.92 137.75 25.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 70.04 110.929 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 53.3 m -56.91 -35.89 69.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 73.11 110.88 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -119.38 77.37 1.2 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 73.12 110.901 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.495 HD23 ' HB3' ' A' ' 16' ' ' CYS . 85.8 mt -67.45 -34.37 77.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 45.33 110.935 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -58.58 -35.7 72.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 73.43 110.8 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.2 m120 -93.03 -57.66 2.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.447 . . . . 55.22 110.865 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -94.52 144.63 25.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 74.53 110.876 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 10.3 p90 -128.68 176.12 8.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 74.04 110.933 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 91.4 m -108.96 88.55 5.63 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.575 0.702 . . . . 72.51 110.863 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 147.45 63.3 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.698 2.266 . . . . 73.42 112.332 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 33.9 mmt -73.37 102.86 3.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.256 -0.429 . . . . 73.02 110.914 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -163.46 176.41 9.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 43.52 110.881 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -51.68 -57.18 9.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 74.03 110.897 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.6 mp -124.0 102.09 34.88 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.627 0.727 . . . . 63.43 111.121 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 121.41 8.09 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.659 2.24 . . . . 54.31 112.31 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 29.8 m80 -114.72 158.78 21.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 74.24 110.868 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 34.5 m -88.0 80.18 7.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 71.51 110.916 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 73.0 mttt -113.32 161.38 17.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 73.33 110.929 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 25.5 mtmt -73.01 148.15 44.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 74.1 110.877 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -55.37 153.58 7.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 74.35 110.927 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.7 mptt -89.42 159.92 43.29 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.571 0.7 . . . . 64.0 110.956 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 166.01 29.04 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.716 2.277 . . . . 73.34 112.337 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 41.0 p90 -54.64 143.89 23.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 74.43 110.9 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.438 HG13 ' HD2' ' A' ' 40' ' ' PRO . 58.3 t -71.85 133.31 84.29 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.611 0.72 . . . . 51.21 111.088 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.438 ' HD2' HG13 ' A' ' 39' ' ' VAL . 53.7 Cg_endo -69.76 154.31 67.89 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.721 2.281 . . . . 61.43 112.337 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 22.8 t -68.34 141.18 17.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 61.34 111.131 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 48.3 p -55.78 135.25 51.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 75.44 111.106 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.56 135.13 51.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 72.02 111.104 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.0 p -71.91 150.2 44.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 62.23 110.849 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -95.76 153.9 17.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 74.42 110.894 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 29.6 t30 -169.58 148.3 3.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 73.21 110.85 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 22.7 p -62.75 175.43 0.83 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 63.23 110.879 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -97.96 113.86 25.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 72.41 111.1 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -78.33 168.21 20.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 71.0 110.897 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 54.1 tt0 -51.91 126.56 18.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 73.42 110.895 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 105.22 -29.73 11.11 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.728 -0.749 . . . . 72.32 112.427 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -64.71 155.09 34.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.918 0.39 . . . . 71.41 110.88 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 23.9 t -89.95 149.41 4.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 61.34 111.128 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 29.5 m -116.99 149.7 39.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 70.33 110.88 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 141.45 -33.15 2.01 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.731 -0.747 . . . . 41.31 112.504 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 48.6 m95 -90.37 46.95 1.38 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.795 0.331 . . . . 74.25 110.925 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 63.51 32.87 85.61 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.765 -0.731 . . . . 63.43 112.479 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -116.73 116.7 28.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.963 0.411 . . . . 62.35 110.827 -179.739 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.04 145.62 25.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 74.33 110.914 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 95.4 m -65.67 147.66 53.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 75.43 110.911 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 43.0 m -64.5 170.87 3.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 73.44 110.848 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 9.4 t60 -56.77 125.73 23.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.177 -0.465 . . . . 72.14 110.852 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 90.51 18.81 47.35 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.749 -0.738 . . . . 73.13 112.509 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 40.5 mt -141.52 160.33 40.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.849 0.357 . . . . 60.51 110.918 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -153.39 159.42 42.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 75.13 110.857 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -116.23 133.85 22.88 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.588 0.709 . . . . 63.11 110.916 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 167.2 25.16 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.691 2.261 . . . . 62.14 112.343 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -96.86 95.34 7.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 74.23 110.952 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -160.41 -174.65 4.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 62.45 111.069 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.44 ' O ' HD13 ' A' ' 71' ' ' ILE . 14.8 m-85 -52.98 -66.14 0.44 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 60.35 110.862 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.44 HD13 ' O ' ' A' ' 70' ' ' PHE . 27.3 mm -125.89 82.59 64.17 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.58 0.705 . . . . 71.15 111.126 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 169.79 18.1 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.704 2.269 . . . . 52.33 112.325 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -143.53 132.1 22.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 74.2 110.944 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 55.5 m -51.35 139.84 18.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 64.22 110.857 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 25.1 pt-20 -158.83 151.83 22.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 74.34 110.88 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -51.44 118.75 3.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 71.11 110.933 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 14.1 p90 -53.0 134.35 38.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 75.12 110.899 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 33.4 ttp180 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.093 -0.503 . . . . 74.02 110.899 179.985 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.467 -0.253 . . . . 61.23 112.467 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -118.05 135.95 53.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.864 0.364 . . . . 64.12 110.87 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 27.2 p -171.98 171.01 5.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 73.13 110.895 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -95.84 130.83 42.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 65.54 111.131 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.83 164.92 11.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 65.33 110.88 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 55.8 tt0 -62.77 128.49 36.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 72.03 110.873 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.56 -28.76 10.26 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.72 -0.752 . . . . 60.23 112.456 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -69.67 160.99 30.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.959 0.409 . . . . 62.44 110.88 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 20.9 t -76.4 150.81 6.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.128 -0.487 . . . . 75.34 111.155 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 17.4 p -114.39 144.85 42.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 64.53 110.867 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 81.2 p -131.86 179.63 5.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 70.14 110.856 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 67.9 t90 -59.82 -41.23 90.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 73.31 110.919 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -86.96 -24.88 36.21 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.796 -0.716 . . . . 73.4 112.493 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -103.68 109.74 21.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.824 0.345 . . . . 74.2 110.881 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 26.5 mmtm -102.87 134.73 45.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 75.43 110.888 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.568 ' HB3' HD23 ' A' ' 19' ' ' LEU . 1.6 t -51.85 144.72 10.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 75.41 110.886 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 33.4 m -65.22 -35.92 82.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 62.35 110.884 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -124.78 83.2 2.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 71.2 110.85 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.568 HD23 ' HB3' ' A' ' 16' ' ' CYS . 65.9 mt -68.16 -35.27 77.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.175 -0.466 . . . . 73.42 110.922 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -58.0 -35.97 72.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 73.31 110.883 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 60.2 m-20 -92.26 -57.73 2.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 73.42 110.934 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -94.6 142.43 27.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 62.32 110.867 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 5.3 p90 -131.59 160.17 36.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 72.14 110.901 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 76.2 m -108.74 89.01 5.83 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.647 0.737 . . . . 43.1 110.864 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 163.15 39.36 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.633 2.222 . . . . 73.31 112.34 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 81.5 mmm -72.45 105.1 4.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 73.13 110.867 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -163.37 171.09 16.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 61.55 110.834 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.419 ' HB2' HD12 ' A' ' 29' ' ' ILE . 74.9 m-85 -51.83 -57.04 10.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 74.34 110.85 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.422 ' HA ' ' HD2' ' A' ' 30' ' ' PRO . 3.8 mp -123.82 102.22 35.31 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.619 0.723 . . . . 71.12 111.129 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 29' ' ' ILE . 54.3 Cg_endo -69.75 123.0 9.67 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.658 2.239 . . . . 74.52 112.384 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 22.8 m80 -116.4 150.46 37.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 72.53 110.849 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 34.3 m -83.7 85.09 7.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 72.33 110.9 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.0 ptmt -119.59 147.1 44.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 54.35 110.906 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 18.8 mtpt -53.71 152.17 5.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 64.41 110.894 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -52.71 149.64 5.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 72.21 110.939 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.6 mtpp -54.71 159.89 3.21 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.58 0.705 . . . . 72.13 110.925 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 166.06 28.87 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.653 2.235 . . . . 71.25 112.364 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 36.5 p90 -52.53 153.78 2.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.259 -0.428 . . . . 74.41 110.879 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.432 HG13 ' HD2' ' A' ' 40' ' ' PRO . 58.7 t -70.76 133.3 86.54 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.602 0.715 . . . . 64.43 111.117 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.432 ' HD2' HG13 ' A' ' 39' ' ' VAL . 54.0 Cg_endo -69.78 160.92 47.92 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.677 2.252 . . . . 41.35 112.37 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.3 t -53.35 143.63 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.424 . . . . 51.33 111.123 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.4 m -53.08 134.52 38.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.466 . . . . 73.02 111.153 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 14.6 t -58.74 173.48 0.41 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 75.32 111.203 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.2 t -70.68 165.58 22.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 73.35 110.882 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -96.67 156.46 16.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 75.43 110.93 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 14.5 p-10 -162.72 143.57 9.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 74.14 110.865 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 17.8 p -61.89 161.63 10.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 70.23 110.889 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.57 112.74 17.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 74.51 111.075 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.0 pttp -75.97 168.66 19.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 60.33 110.888 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.5 tm-20 -51.46 130.04 26.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 64.41 110.902 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 100.18 -29.73 11.6 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.807 -0.711 . . . . 74.12 112.472 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -63.14 154.84 29.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.882 0.372 . . . . 70.25 110.89 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.2 t -90.22 150.76 3.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 72.23 111.135 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 33.7 m -116.37 143.82 45.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 70.52 110.853 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 147.66 -34.02 1.27 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.685 -0.769 . . . . 44.44 112.468 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 23.9 m-90 -91.24 48.25 1.48 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.829 0.347 . . . . 74.44 110.92 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 64.57 32.71 85.1 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.732 -0.747 . . . . 62.12 112.466 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.48 121.33 44.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.95 0.405 . . . . 72.31 110.852 -179.768 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.1 mmtm -106.31 131.35 53.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 62.1 110.864 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 72.9 m -55.42 150.05 12.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 74.34 110.913 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 21.0 m -67.4 167.86 11.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 74.33 110.901 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 13.8 m80 -53.33 128.31 27.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 62.15 110.833 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 97.6 -23.34 36.34 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.742 -0.742 . . . . 75.44 112.425 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.476 HD23 ' HA ' ' A' ' 76' ' ' LYS . 13.8 mt -101.8 160.12 14.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.842 0.353 . . . . 63.01 110.917 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -151.63 159.2 44.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 64.55 110.938 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -115.74 131.03 23.89 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.608 0.718 . . . . 55.33 110.873 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 166.63 26.96 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.682 2.255 . . . . 64.23 112.361 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 8.8 mp -97.28 95.44 7.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 63.51 110.95 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -159.13 -174.66 4.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 73.42 111.088 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -52.08 -64.85 0.68 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 72.44 110.868 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 4.3 mp -128.8 82.83 67.88 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.614 0.721 . . . . 73.04 111.128 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 169.72 18.26 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.653 2.235 . . . . 61.14 112.343 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 42.4 m-85 -143.85 131.88 21.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 61.33 110.902 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 56.6 m -51.54 136.86 25.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.096 -0.502 . . . . 61.24 110.868 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -156.7 145.01 19.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.155 -0.475 . . . . 65.01 110.892 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.476 ' HA ' HD23 ' A' ' 64' ' ' LEU . 28.3 mmmt -51.78 119.0 3.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 72.42 110.854 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -52.65 127.5 23.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 61.12 110.925 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 74.05 110.817 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.519 -0.233 . . . . 71.52 112.519 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -102.23 164.35 11.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.832 0.349 . . . . 74.3 110.888 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 17.8 p -170.3 156.64 5.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 61.44 110.871 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -91.9 141.39 28.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 62.3 111.092 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 53.7 mtpt -65.19 172.89 2.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 75.21 110.908 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 74.9 tt0 -69.31 124.44 23.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.249 -0.432 . . . . 73.1 110.86 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.76 -28.74 9.6 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 30.02 112.473 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -63.06 147.26 51.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.879 0.371 . . . . 55.51 110.878 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 90.0 t -63.98 144.58 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 71.05 111.084 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 18.5 p -114.04 142.44 46.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 71.14 110.908 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 86.4 p -126.4 -170.05 2.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 61.22 110.888 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 69.9 p-90 -61.11 -35.94 78.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.148 -0.478 . . . . 74.2 110.893 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -96.63 -24.84 12.8 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.723 -0.751 . . . . 70.34 112.538 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.92 108.14 19.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.863 0.363 . . . . 74.53 110.9 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.1 mtpp -107.49 140.74 40.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 73.34 110.916 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 75.1 m -52.31 124.21 12.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 53.21 110.843 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -52.18 -38.8 58.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 71.11 110.904 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -105.54 95.46 5.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 70.25 110.835 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 66.3 mt -82.07 -36.77 27.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 63.5 110.908 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -61.22 -36.52 80.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 64.31 110.844 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 31.0 m120 -97.41 -58.48 2.0 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 73.54 110.91 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -95.29 169.19 10.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 73.2 110.842 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 2.8 p90 -164.89 176.85 8.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 74.3 110.895 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 70.8 m -108.32 88.68 5.12 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.665 0.745 . . . . 65.12 110.928 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 167.42 24.42 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.707 2.272 . . . . 74.44 112.324 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 54.3 mmm -86.2 105.7 16.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 74.4 110.946 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -163.28 170.74 17.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 74.44 110.93 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -51.97 -48.82 64.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 73.24 110.888 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.401 ' HA ' ' HD2' ' A' ' 30' ' ' PRO . 2.6 mt -123.73 102.13 35.69 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.574 0.702 . . . . 73.44 111.154 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 29' ' ' ILE . 53.3 Cg_endo -69.83 121.24 7.92 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.631 2.221 . . . . 70.32 112.349 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 34.3 m170 -112.37 177.59 4.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 75.32 110.869 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 53.0 m -113.01 58.88 0.65 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 51.43 110.912 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.1 ptpt -113.39 170.88 7.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 74.05 110.927 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.3 ttmm -79.69 156.44 27.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 73.45 110.914 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -52.04 157.47 1.3 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 71.1 110.921 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 50.7 mtpt -77.22 159.93 76.83 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.587 0.708 . . . . 74.24 110.901 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 166.02 29.1 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.693 2.262 . . . . 73.22 112.328 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 47.2 p90 -54.93 139.51 40.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 75.34 110.931 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.437 HG13 ' HD2' ' A' ' 40' ' ' PRO . 58.3 t -97.61 133.27 23.78 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.634 0.731 . . . . 74.41 111.124 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.437 ' HD2' HG13 ' A' ' 39' ' ' VAL . 53.7 Cg_endo -69.73 157.44 60.46 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.676 2.25 . . . . 61.24 112.359 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 43.4 t -59.95 136.77 23.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 64.12 111.119 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.2 p -112.71 142.96 44.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 71.43 111.171 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.7 p -58.35 -33.81 69.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 72.12 111.112 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 42.1 t -77.54 157.19 30.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 73.43 110.861 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -80.27 128.76 33.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 71.33 110.909 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -142.71 116.92 9.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 53.41 110.921 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 9.0 p -120.77 160.56 23.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 52.54 110.918 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -76.93 112.43 13.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 73.32 111.051 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 44.5 mtpt -76.1 167.53 21.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 72.22 110.845 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -51.61 128.47 23.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 74.13 110.895 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 103.05 -29.7 11.92 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.792 -0.718 . . . . 54.54 112.496 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -63.99 155.98 29.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.901 0.382 . . . . 62.02 110.906 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 22.1 t -91.51 149.61 4.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.163 -0.471 . . . . 74.15 111.138 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 28.4 m -116.27 142.94 46.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 73.03 110.839 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 152.25 -33.81 0.85 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.779 -0.724 . . . . 53.43 112.518 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 33.8 m95 -90.62 46.81 1.36 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.831 0.348 . . . . 74.24 110.916 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 63.54 32.63 84.82 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.716 -0.754 . . . . 74.23 112.528 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -116.83 118.07 31.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.905 0.383 . . . . 64.32 110.871 -179.723 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.53 156.14 16.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 73.53 110.889 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 77.6 m -77.18 149.94 35.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 74.51 110.905 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 30.7 m -64.0 169.13 4.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 64.24 110.913 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 17.3 t-80 -53.85 128.34 29.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 73.23 110.865 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 96.61 -23.15 36.51 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.74 -0.743 . . . . 71.04 112.488 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.444 HD23 ' HA ' ' A' ' 76' ' ' LYS . 22.6 mt -101.79 160.52 14.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.804 0.335 . . . . 75.33 110.92 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -154.21 160.76 42.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 73.44 110.861 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -115.69 132.02 23.37 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.6 0.714 . . . . 71.23 110.914 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 167.0 25.74 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.714 2.276 . . . . 44.45 112.328 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 57.5 mt -97.08 95.4 7.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 72.44 110.945 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -160.06 -174.53 4.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 72.14 111.086 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.479 ' O ' HD13 ' A' ' 71' ' ' ILE . 16.0 m-85 -52.42 -66.13 0.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 60.34 110.877 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.479 HD13 ' O ' ' A' ' 70' ' ' PHE . 32.3 mm -126.84 82.88 66.78 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.655 0.741 . . . . 52.3 111.171 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 169.68 18.33 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.654 2.236 . . . . 64.31 112.38 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 45.4 m-85 -143.96 131.8 21.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 73.02 110.899 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 54.9 m -51.43 136.45 25.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 73.23 110.873 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -156.78 148.09 22.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 64.25 110.93 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.444 ' HA ' HD23 ' A' ' 64' ' ' LEU . 18.1 mmmt -51.39 118.8 3.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 74.45 110.903 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 29.3 t80 -53.35 122.08 8.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 74.25 110.889 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.058 -0.519 . . . . 75.41 110.877 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 N-CA-C 112.482 -0.247 . . . . 71.52 112.482 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -130.25 78.27 1.83 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.926 0.394 . . . . 75.15 110.864 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 17.4 p -171.11 156.71 4.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 51.52 110.924 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -89.86 126.68 35.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 50.01 111.132 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 21.3 mmmt -64.09 175.36 1.26 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 62.15 110.927 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 54.1 tt0 -63.96 126.92 29.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.426 . . . . 74.22 110.871 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.76 -28.69 9.72 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.738 -0.744 . . . . 61.04 112.507 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 57.7 mm-40 -62.11 160.51 12.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.883 0.373 . . . . 63.11 110.866 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.506 HG13 ' O ' ' A' ' 30' ' ' PRO . 90.4 t -83.89 144.64 9.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 63.15 111.106 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 18.2 p -111.19 142.42 43.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.467 . . . . 62.3 110.915 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 58.0 p -136.45 -169.97 2.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 55.21 110.849 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 6.5 t90 -62.48 -35.67 80.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.49 . . . . 73.45 110.883 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -96.2 -24.87 13.56 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.744 -0.741 . . . . 72.33 112.48 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.57 108.53 19.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.875 0.369 . . . . 74.14 110.847 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.5 mmmm -106.88 134.0 50.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 63.15 110.884 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.642 ' HB3' HD23 ' A' ' 19' ' ' LEU . 0.9 OUTLIER -52.03 153.14 2.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 75.14 110.865 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -81.79 -36.03 28.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 73.15 110.883 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -109.11 59.75 0.6 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.198 -0.455 . . . . 54.5 110.889 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.642 HD23 ' HB3' ' A' ' 16' ' ' CYS . 64.9 mt -52.54 -34.88 52.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.44 . . . . 70.31 110.914 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -58.53 -34.51 71.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 71.41 110.913 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.7 m-80 -94.12 -60.93 1.62 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 74.04 110.895 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -94.8 153.16 17.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 74.44 110.888 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -136.16 176.84 8.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 72.22 110.949 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 86.6 m -108.32 88.86 5.27 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.633 0.73 . . . . 63.34 110.852 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 161.56 45.45 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.663 2.242 . . . . 42.42 112.353 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 11.8 ttm -83.42 104.37 13.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 73.35 110.89 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -163.11 170.53 17.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 73.42 110.935 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -52.03 -55.36 21.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.478 . . . . 62.01 110.826 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.541 HG22 ' CE1' ' A' ' 31' ' ' HIS . 3.4 mp -123.84 102.19 35.26 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.635 0.731 . . . . 61.41 111.125 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.506 ' O ' HG13 ' A' ' 9' ' ' VAL . 54.0 Cg_endo -69.74 149.45 67.03 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.703 2.269 . . . . 74.43 112.331 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.541 ' CE1' HG22 ' A' ' 29' ' ' ILE . 84.3 m-70 -143.04 167.08 22.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 74.45 110.885 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 34.9 m -97.41 68.47 2.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 71.15 110.912 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.2 pttp -113.4 142.79 45.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 73.35 110.929 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.9 ttpt -60.68 148.59 38.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 75.52 110.896 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -51.9 157.21 1.29 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 71.31 110.937 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.89 157.53 78.97 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.612 0.72 . . . . 73.31 110.874 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 166.03 28.97 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.689 2.259 . . . . 75.13 112.36 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -85.28 130.73 34.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 74.24 110.953 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.441 HG13 ' HD2' ' A' ' 40' ' ' PRO . 58.0 t -102.28 133.31 20.66 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.607 0.717 . . . . 72.43 111.098 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.441 ' HD2' HG13 ' A' ' 39' ' ' VAL . 53.8 Cg_endo -69.75 162.79 40.72 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.69 2.26 . . . . 72.43 112.372 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 40.2 t -51.49 123.01 2.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 72.31 111.097 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.79 162.36 13.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 64.44 111.143 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 68.3 p -51.7 170.03 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 45.25 111.167 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -61.3 140.44 57.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 71.24 110.835 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -100.9 162.38 12.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 75.22 110.889 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -149.55 137.23 20.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 74.11 110.913 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 16.2 p -61.8 156.76 19.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 74.22 110.869 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.99 112.74 10.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 72.35 111.139 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -76.5 168.45 20.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 64.12 110.887 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -51.5 129.05 24.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.243 -0.435 . . . . 63.54 110.906 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 101.33 -29.8 11.74 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.8 -0.714 . . . . 64.23 112.533 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -61.95 156.05 22.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.859 0.362 . . . . 73.51 110.885 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 39.7 t -90.7 148.38 4.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 74.54 111.13 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 26.7 m -116.49 155.37 28.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 73.04 110.883 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 138.07 -36.44 1.92 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.766 -0.731 . . . . 43.55 112.469 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 56.3 m95 -91.93 51.26 1.8 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.795 0.331 . . . . 74.31 110.896 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 63.45 32.72 85.1 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.725 -0.75 . . . . 35.23 112.472 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -110.07 116.76 32.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.929 0.395 . . . . 75.34 110.855 -179.72 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.3 mmmm -103.44 130.1 50.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 61.33 110.898 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 76.0 m -58.51 150.51 22.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.273 -0.421 . . . . 71.45 110.902 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.48 ' HB2' HD12 ' A' ' 64' ' ' LEU . 30.5 m -64.06 166.03 8.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 71.12 110.883 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 7.7 t-160 -51.9 127.33 20.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 73.34 110.854 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 97.92 -23.28 36.71 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.742 -0.742 . . . . 64.14 112.53 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.59 HD23 ' N ' ' A' ' 76' ' ' LYS . 8.2 mt -101.56 160.31 14.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.817 0.341 . . . . 65.31 110.938 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -154.85 160.93 41.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.188 -0.46 . . . . 61.13 110.868 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -114.68 134.73 22.35 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.656 0.741 . . . . 74.41 110.852 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 167.61 23.87 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.713 2.275 . . . . 71.14 112.378 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 92.2 mt -97.01 95.19 7.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.429 . . . . 74.13 110.943 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -160.43 -174.37 4.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 71.32 111.101 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.603 ' HB3' HD12 ' A' ' 71' ' ' ILE . 4.5 m-85 -53.22 -66.27 0.42 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 70.11 110.873 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.603 HD12 ' HB3' ' A' ' 70' ' ' PHE . 4.0 mp -125.44 82.5 62.84 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.6 0.715 . . . . 71.11 111.114 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 169.9 17.74 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.68 2.253 . . . . 72.52 112.361 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -144.11 133.24 22.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 61.43 110.867 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 55.4 m -51.32 141.23 15.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.108 -0.496 . . . . 72.4 110.893 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -161.6 143.26 11.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 75.21 110.865 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.59 ' N ' HD23 ' A' ' 64' ' ' LEU . 68.9 mmtt -51.54 118.89 3.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 73.24 110.905 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 67.7 t80 -57.24 128.16 35.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 71.4 110.951 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 21.7 ttt180 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 74.53 110.924 -179.996 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.449 -0.26 . . . . 43.43 112.449 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -87.58 154.73 20.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.827 0.346 . . . . 61.14 110.882 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 20.7 p -170.81 170.54 6.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 71.44 110.874 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -104.94 125.69 51.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 71.01 111.077 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.7 mmmp? -58.09 161.95 3.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 53.32 110.888 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 64.2 tt0 -58.65 126.36 27.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 75.01 110.925 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.44 -28.72 11.18 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.713 -0.755 . . . . 52.0 112.465 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 48.3 mm-40 -72.6 143.63 48.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.892 0.377 . . . . 75.15 110.913 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.5 t -62.36 150.25 8.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 45.53 111.148 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 31.7 p -118.39 137.69 52.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 74.33 110.914 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 61.7 p -117.17 -172.98 2.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 74.45 110.835 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 27.9 t90 -60.23 -35.83 76.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 74.15 110.922 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -94.77 -24.85 16.5 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.743 -0.742 . . . . 61.43 112.475 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -103.72 110.67 22.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.881 0.372 . . . . 60.41 110.902 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.2 mmtm -107.5 146.66 31.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 73.2 110.885 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 87.9 m -53.03 129.31 30.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 65.22 110.874 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 62.2 m -52.15 -37.8 55.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 75.21 110.9 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -111.21 102.65 11.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 73.25 110.871 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 62.2 mt -84.34 -36.11 22.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 74.43 110.92 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -59.78 -38.24 81.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 64.11 110.872 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 53.0 m-80 -97.96 -58.45 1.98 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 73.34 110.911 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -94.65 170.12 9.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 70.25 110.899 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 17.4 p90 -170.89 176.58 4.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.162 -0.472 . . . . 73.45 110.936 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 68.6 m -109.23 85.18 3.26 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.64 0.733 . . . . 74.03 110.878 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 166.88 26.14 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.715 2.276 . . . . 51.21 112.33 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 12.2 ttm -80.71 105.64 12.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 64.1 110.887 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -163.14 170.58 17.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 74.42 110.905 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.529 ' HB2' HD12 ' A' ' 29' ' ' ILE . 65.0 m-85 -51.96 -54.76 25.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 71.33 110.922 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.529 HD12 ' HB2' ' A' ' 28' ' ' PHE . 3.9 mp -123.83 102.29 35.2 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.603 0.716 . . . . 65.21 111.141 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 29' ' ' ILE . 53.6 Cg_endo -69.78 123.2 9.87 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.692 2.261 . . . . 72.15 112.364 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 32.5 m80 -116.11 162.55 17.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 71.01 110.877 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 63.7 m -101.05 45.54 0.97 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 75.04 110.837 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.2 tppt? -113.31 130.88 56.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 74.04 110.907 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.8 ptmt -56.83 126.49 27.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 71.13 110.917 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -87.5 158.1 19.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 75.15 110.953 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.3 mtmm -69.66 153.7 95.41 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.549 0.69 . . . . 72.24 110.911 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 125.02 11.68 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.677 2.251 . . . . 74.41 112.359 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -58.2 140.83 52.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 60.13 110.936 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.445 HG13 ' HD2' ' A' ' 40' ' ' PRO . 58.7 t -105.32 133.27 20.25 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.661 0.743 . . . . 73.12 111.101 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.445 ' HD2' HG13 ' A' ' 39' ' ' VAL . 53.8 Cg_endo -69.78 150.37 68.01 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.653 2.235 . . . . 71.32 112.341 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.8 t -71.69 130.29 35.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.45 . . . . 71.42 111.16 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 19.1 p -116.41 162.4 17.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 72.2 111.12 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 20.7 p -104.46 77.78 1.42 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 55.14 111.113 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.9 t -89.11 166.06 14.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 54.24 110.877 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -69.21 129.12 38.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 75.43 110.883 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 59.8 t30 -174.06 156.56 2.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 74.44 110.887 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 17.6 p -61.82 163.11 7.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 53.11 110.876 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.443 ' HB1' ' HB2' ' A' ' 52' ' ' GLU . . . -87.01 110.29 19.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 50.41 111.115 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.58 170.3 14.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 62.22 110.914 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -50.63 127.33 17.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 75.45 110.834 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 100.3 -28.27 16.55 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.765 -0.731 . . . . 64.22 112.496 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.443 ' HB2' ' HB1' ' A' ' 48' ' ' ALA . 36.2 mm-40 -63.92 148.28 49.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.87 0.367 . . . . 51.55 110.872 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 16.5 t -82.09 153.74 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 71.12 111.145 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 9.7 m -115.29 178.35 4.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 60.41 110.889 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 92.42 -39.16 3.04 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.736 -0.745 . . . . 53.52 112.466 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 80.4 m95 -85.09 52.67 2.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.758 0.313 . . . . 70.21 110.945 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 63.06 28.9 72.87 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.75 -0.738 . . . . 72.05 112.533 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.15 116.61 27.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.93 0.395 . . . . 74.55 110.827 -179.693 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -107.19 124.19 49.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 72.15 110.874 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 70.7 m -51.31 137.46 23.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 73.14 110.918 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 59.2 m -51.27 162.19 0.35 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 63.44 110.853 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 15.3 t-80 -52.95 112.53 0.87 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 62.54 110.822 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 109.22 -23.2 23.54 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.724 -0.751 . . . . 73.31 112.481 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.469 HD23 ' HA ' ' A' ' 76' ' ' LYS . 26.0 mt -97.86 154.01 17.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.853 0.359 . . . . 73.2 110.878 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -157.49 152.85 26.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 74.41 110.892 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 4.3 p -118.22 152.72 50.99 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.688 0.756 . . . . 63.44 110.839 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 169.11 19.67 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.714 2.276 . . . . 72.22 112.338 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 22.5 mt -96.18 104.76 16.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.447 . . . . 74.51 110.908 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -165.69 -173.81 2.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.169 -0.469 . . . . 62.23 111.099 179.778 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -56.4 -67.07 0.33 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 73.42 110.859 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.453 HG22 ' CE1' ' A' ' 73' ' ' TYR . 18.9 mm -112.6 80.32 3.61 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.63 0.729 . . . . 75.34 111.124 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 163.69 37.29 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.671 2.247 . . . . 63.15 112.321 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.453 ' CE1' HG22 ' A' ' 71' ' ' ILE . 48.3 m-85 -144.94 130.25 18.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 74.54 110.945 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 68.0 m -60.4 135.07 57.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 55.11 110.892 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -145.19 155.43 43.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 74.34 110.869 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.469 ' HA ' HD23 ' A' ' 64' ' ' LEU . 50.2 mmtt -51.54 118.59 3.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 61.02 110.866 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -89.92 131.81 35.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.245 -0.434 . . . . 71.45 110.881 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 28.8 mtt85 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 61.4 110.896 -179.964 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.491 -0.244 . . . . 75.02 112.491 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -119.43 88.59 2.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.914 0.388 . . . . 75.44 110.897 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 28.9 p -170.34 165.19 8.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 71.53 110.872 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -102.15 131.31 48.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 73.42 111.109 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.77 168.47 1.22 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 71.41 110.929 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 59.6 tt0 -68.25 123.26 20.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 74.44 110.892 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.99 -28.74 14.51 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.703 -0.76 . . . . 62.23 112.444 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -71.27 160.87 32.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.886 0.374 . . . . 75.3 110.897 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 t -73.28 149.91 8.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 64.25 111.175 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 20.2 p -122.78 143.24 49.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 63.34 110.861 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.9 p -129.01 -174.75 3.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 72.11 110.876 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 20.8 t90 -57.59 -38.49 74.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 74.11 110.902 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -92.87 -24.77 22.12 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.749 -0.739 . . . . 74.44 112.504 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.51 106.78 17.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.827 0.346 . . . . 71.13 110.902 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.34 145.81 32.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 72.13 110.904 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 73.7 m -55.8 135.34 51.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 54.21 110.882 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 63.3 m -52.43 -36.23 53.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 64.4 110.893 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -115.25 103.63 11.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 73.21 110.902 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 56.8 mt -81.88 -36.26 28.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 71.1 110.909 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -62.14 -36.27 81.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.199 -0.455 . . . . 73.23 110.834 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -97.03 -56.51 2.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 74.32 110.89 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -95.64 163.24 13.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 64.32 110.895 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 9.8 p90 -161.09 176.62 11.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 72.34 110.925 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 82.9 m -108.75 87.49 4.48 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.65 0.738 . . . . 65.24 110.927 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 165.48 30.8 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.688 2.259 . . . . 71.55 112.35 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 12.3 mtp -85.94 105.75 16.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 73.14 110.903 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -163.29 175.45 10.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 73.52 110.875 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -52.09 -56.92 11.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 72.02 110.846 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.407 ' HA ' ' HD2' ' A' ' 30' ' ' PRO . 3.9 mp -123.79 102.15 35.49 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.597 0.713 . . . . 54.32 111.14 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 29' ' ' ILE . 54.3 Cg_endo -69.71 121.28 7.99 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.697 2.265 . . . . 74.33 112.336 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 31.1 m80 -113.67 168.14 10.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 71.23 110.861 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 47.1 m -100.03 64.32 1.22 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 63.13 110.894 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.3 tppt? -113.41 160.14 18.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 73.3 110.928 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.2 ptpt -71.97 160.26 32.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 72.31 110.895 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -52.03 158.01 1.17 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 73.22 110.901 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 22.1 mmmt -97.39 159.12 31.93 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.608 0.718 . . . . 71.31 110.869 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 165.98 29.16 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.667 2.245 . . . . 71.54 112.356 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 48.4 p90 -52.11 148.72 5.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 71.32 110.865 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.446 HG13 ' HD2' ' A' ' 40' ' ' PRO . 58.4 t -104.13 133.26 20.32 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.652 0.739 . . . . 74.31 111.105 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.446 ' HD2' HG13 ' A' ' 39' ' ' VAL . 53.5 Cg_endo -69.75 162.67 41.16 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.702 2.268 . . . . 74.32 112.313 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 39.6 t -51.75 126.55 7.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 70.24 111.119 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.2 p -108.84 162.38 14.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 74.12 111.168 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 9.5 t -51.87 -33.62 37.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 60.34 111.139 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 49.3 m -67.27 165.99 15.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 74.3 110.834 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -96.41 161.93 13.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.096 -0.502 . . . . 71.54 110.841 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -161.63 149.06 14.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 71.53 110.87 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 17.6 p -62.6 160.61 13.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 75.22 110.9 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -77.74 110.5 12.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 31.5 111.118 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.4 167.57 20.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 63.04 110.873 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -51.88 127.89 22.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 64.2 110.919 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 103.04 -30.04 11.23 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.749 -0.739 . . . . 63.43 112.474 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -62.38 154.8 27.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.924 0.392 . . . . 65.51 110.876 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 22.0 t -90.18 149.69 3.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 65.31 111.139 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 29.1 m -116.56 146.65 42.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 65.31 110.929 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 152.77 -33.49 0.81 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.718 -0.753 . . . . 75.14 112.48 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 77.3 m95 -91.41 45.98 1.27 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.802 0.334 . . . . 74.1 110.909 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 64.12 32.68 85.01 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.797 -0.716 . . . . 42.53 112.478 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -108.8 116.6 32.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.906 0.384 . . . . 75.0 110.899 -179.766 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.8 mmmm -98.78 131.4 44.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 74.51 110.922 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 73.7 m -54.55 153.38 5.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 63.22 110.901 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 20.4 m -67.77 167.22 13.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.472 . . . . 71.12 110.849 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 6.1 p-80 -51.93 128.63 24.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 71.54 110.875 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 95.55 -23.46 33.76 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.679 -0.772 . . . . 71.43 112.498 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.441 HD23 ' HA ' ' A' ' 76' ' ' LYS . 23.4 mt -100.53 160.15 14.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.809 0.337 . . . . 74.04 110.902 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -152.73 158.65 42.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 75.1 110.849 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -115.22 130.84 23.92 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.589 0.709 . . . . 70.52 110.862 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 166.95 25.83 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.653 2.235 . . . . 74.41 112.338 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -97.01 95.41 7.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 51.53 110.906 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -159.73 -175.16 4.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 62.13 111.117 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -52.73 -64.74 0.72 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 74.5 110.871 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 4.1 mp -127.72 82.65 67.94 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.629 0.728 . . . . 73.11 111.147 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 169.66 18.48 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.653 2.235 . . . . 71.22 112.329 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 42.4 m-85 -143.46 130.76 20.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 72.22 110.968 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 55.6 m -51.75 136.32 27.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 55.11 110.877 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -156.23 146.54 21.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 73.05 110.929 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.441 ' HA ' HD23 ' A' ' 64' ' ' LEU . 8.2 mmmm -51.3 119.21 3.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.174 -0.466 . . . . 72.33 110.898 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 61.5 t80 -54.65 131.67 43.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 74.43 110.887 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 18.1 mmt180 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 71.33 110.812 -179.961 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.474 -0.25 . . . . 54.42 112.474 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 60.21 39.41 19.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.9 0.381 . . . . 73.14 110.898 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 31.8 p -169.24 152.75 5.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 73.15 110.884 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -83.72 122.28 28.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 63.21 111.11 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.7 mmmt -58.68 169.35 0.97 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 74.13 110.929 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 53.5 tt0 -59.2 118.43 5.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 51.35 110.89 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.05 -28.73 9.88 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.759 -0.734 . . . . 73.33 112.449 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -62.41 144.51 55.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.913 0.387 . . . . 65.34 110.887 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.9 t -63.0 145.08 13.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 72.54 111.115 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 20.0 p -121.07 137.49 54.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.467 . . . . 74.21 110.9 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 86.1 p -120.96 -172.65 2.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 73.05 110.876 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 68.4 t90 -57.19 -36.85 71.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 71.33 110.901 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -94.01 -24.88 18.63 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.768 -0.73 . . . . 52.03 112.527 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.73 106.52 17.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.782 0.325 . . . . 75.34 110.884 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? -107.45 145.55 32.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.265 -0.425 . . . . 60.41 110.914 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 68.4 m -56.94 130.81 47.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 74.4 110.919 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -52.14 -40.46 61.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 65.2 110.884 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -110.74 98.05 7.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 75.0 110.866 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 58.7 mt -76.69 -35.14 58.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 73.42 110.886 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -59.72 -35.7 75.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 72.13 110.834 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -96.64 -59.83 1.73 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 72.41 110.894 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -94.64 162.52 13.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 61.21 110.904 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 4.3 p90 -163.67 165.19 23.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.187 -0.461 . . . . 73.44 110.936 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 27.3 m -108.39 89.75 6.29 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.621 0.724 . . . . 70.51 110.859 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 165.42 31.11 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.615 2.21 . . . . 73.12 112.358 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 30.9 ttm -73.3 106.04 4.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 65.33 110.921 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -163.34 173.39 13.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.26 -0.427 . . . . 73.22 110.85 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -51.87 -57.03 10.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 74.31 110.894 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.4 mp -123.93 102.1 35.06 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.595 0.712 . . . . 64.1 111.107 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 121.75 8.43 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.67 2.246 . . . . 73.32 112.331 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 64.4 m-70 -115.02 177.81 4.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 71.05 110.878 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 63.5 m -104.06 72.13 1.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 75.42 110.922 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 31.4 ttmt -113.36 137.21 51.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 62.51 110.894 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 16.9 ttmt -57.09 157.31 6.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 72.04 110.925 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -61.65 157.45 17.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 74.02 110.921 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 22.4 mmtp -106.42 159.12 30.9 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.582 0.706 . . . . 74.13 110.881 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 166.03 29.0 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.623 2.215 . . . . 74.51 112.338 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -57.0 145.5 30.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 71.5 110.942 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.441 HG13 ' HD2' ' A' ' 40' ' ' PRO . 58.7 t -134.44 133.32 21.45 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.622 0.725 . . . . 62.33 111.138 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.441 ' HD2' HG13 ' A' ' 39' ' ' VAL . 53.7 Cg_endo -69.83 149.4 66.38 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.632 2.221 . . . . 74.13 112.349 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 40.9 t -60.2 128.58 21.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 50.02 111.115 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 21.9 p -122.72 155.56 36.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 62.24 111.13 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.42 135.6 56.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 54.31 111.133 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.1 m -72.01 127.26 32.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 65.02 110.853 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -100.95 136.7 40.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 70.41 110.875 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -134.93 35.25 3.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.08 -0.509 . . . . 54.44 110.876 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 12.5 p -135.33 159.66 40.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 65.31 110.898 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -76.52 112.15 12.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 40.01 111.088 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.4 pttp -75.37 167.55 21.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 73.2 110.867 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -51.71 128.9 24.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 73.34 110.916 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 102.53 -29.88 11.57 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.775 -0.726 . . . . 70.35 112.497 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -63.98 155.37 31.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.917 0.389 . . . . 72.31 110.856 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.6 t -90.93 150.31 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 72.1 111.129 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 33.1 m -116.16 144.59 43.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 61.15 110.837 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 153.42 -33.62 0.77 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.713 -0.756 . . . . 45.11 112.469 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 71.1 m95 -91.58 45.81 1.25 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.791 0.329 . . . . 72.42 110.925 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 64.52 32.62 84.8 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.729 -0.748 . . . . 72.25 112.491 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -109.83 116.74 32.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.9 0.381 . . . . 74.14 110.891 -179.742 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.9 mmmm -99.32 134.07 42.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 62.05 110.862 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 72.0 m -57.51 151.58 16.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 65.55 110.897 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 28.1 m -66.36 170.1 6.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 52.2 110.893 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 8.1 t-160 -55.06 127.87 31.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 72.32 110.86 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 97.11 -23.29 36.38 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.763 -0.732 . . . . 51.25 112.477 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 76' ' ' LYS . 28.9 mt -100.65 160.4 14.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.771 0.32 . . . . 73.32 110.952 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -151.37 160.87 43.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.443 . . . . 61.43 110.88 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -119.28 129.03 25.61 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.603 0.716 . . . . 64.33 110.871 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 166.48 27.42 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.712 2.275 . . . . 61.44 112.333 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 8.8 mp -97.46 95.31 7.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 72.42 110.939 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -158.45 -174.63 4.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 73.33 111.107 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -51.79 -64.31 0.85 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 74.23 110.891 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 4.1 mp -129.99 83.11 64.61 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.626 0.727 . . . . 75.51 111.115 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 169.65 18.43 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.673 2.249 . . . . 52.44 112.331 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 41.5 m-85 -143.67 131.06 20.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 74.25 110.932 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 56.1 m -51.7 135.57 28.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.07 -0.513 . . . . 65.05 110.917 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 20.6 pt-20 -155.49 148.63 24.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 74.45 110.854 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.427 ' HA ' HD23 ' A' ' 64' ' ' LEU . 30.3 mmtp -51.81 118.96 3.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 75.12 110.913 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -66.43 122.27 17.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 65.34 110.871 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 18.2 mmt180 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.065 -0.516 . . . . 74.13 110.888 -179.982 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.54 -0.224 . . . . 74.33 112.54 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -131.68 72.81 1.51 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.863 0.363 . . . . 71.25 110.889 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 21.1 p -171.4 169.75 6.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 71.3 110.891 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -93.32 136.79 33.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 74.1 111.137 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.8 ttmt -59.98 171.97 0.86 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.268 -0.424 . . . . 72.11 110.95 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 65.4 tt0 -62.8 117.67 6.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 75.04 110.892 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.76 -28.66 10.73 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.774 -0.727 . . . . 71.33 112.482 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -55.05 160.68 1.96 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.887 0.375 . . . . 72.24 110.854 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.457 HG13 ' O ' ' A' ' 30' ' ' PRO . 21.6 t -74.94 150.16 7.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.49 . . . . 61.32 111.13 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.1 p -121.12 142.15 50.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 72.42 110.876 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 77.5 p -128.76 -173.62 3.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 60.25 110.886 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 68.9 p-90 -59.58 -35.74 74.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 73.43 110.887 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -95.79 -24.86 14.34 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.764 -0.732 . . . . 14.13 112.481 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.5 tppt? -103.64 113.55 27.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.857 0.361 . . . . 62.12 110.892 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.41 164.53 12.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 75.12 110.95 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 51.2 m -86.41 122.2 30.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.433 . . . . 75.11 110.93 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -52.14 -36.24 50.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 75.51 110.91 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -102.88 88.72 3.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 72.3 110.871 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 63.3 mt -80.5 -36.07 33.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 75.35 110.91 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -63.83 -36.08 82.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 74.22 110.877 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -95.03 -58.82 2.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 73.14 110.862 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -94.77 168.02 11.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 73.44 110.872 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -157.72 176.73 12.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.197 -0.456 . . . . 73.41 110.957 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 63.5 m -108.46 88.73 5.29 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.64 0.733 . . . . 64.12 110.886 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 143.28 50.68 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.673 2.249 . . . . 73.01 112.358 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -74.45 104.43 5.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 73.23 110.844 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -163.38 177.17 9.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 74.41 110.874 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.477 ' HB2' HD12 ' A' ' 29' ' ' ILE . 51.3 m-85 -52.01 -57.03 10.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.473 . . . . 73.52 110.866 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.477 HD12 ' HB2' ' A' ' 28' ' ' PHE . 3.9 mp -123.82 102.13 35.4 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.601 0.715 . . . . 62.2 111.16 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.457 ' O ' HG13 ' A' ' 9' ' ' VAL . 54.0 Cg_endo -69.73 146.99 62.04 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.689 2.259 . . . . 55.2 112.358 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 36.3 m80 -142.31 139.89 31.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.26 -0.427 . . . . 73.43 110.861 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 80.5 m -76.67 67.11 2.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 71.23 110.871 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.6 ptpt -115.78 169.92 8.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 75.22 110.876 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.2 mmmt -64.75 160.2 20.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 43.24 110.857 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -52.01 153.47 2.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 64.34 110.878 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.9 mtpp -104.22 159.88 27.89 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.563 0.696 . . . . 73.3 110.903 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 166.01 29.03 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.688 2.259 . . . . 65.04 112.328 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 33.2 m-85 -51.97 144.13 12.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.472 . . . . 74.14 110.927 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.425 HG13 ' HD2' ' A' ' 40' ' ' PRO . 58.7 t -87.26 133.24 39.1 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.574 0.702 . . . . 72.33 111.15 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.425 ' HD2' HG13 ' A' ' 39' ' ' VAL . 54.1 Cg_endo -69.71 162.82 40.57 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.692 2.261 . . . . 62.4 112.35 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 39.7 t -51.74 127.34 8.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.45 . . . . 74.52 111.071 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 75.2 p -105.29 162.37 13.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 72.4 111.121 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.77 166.43 0.14 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 73.41 111.098 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.1 t -68.13 158.74 32.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 65.15 110.803 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -97.53 162.39 13.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 74.53 110.847 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -152.54 139.73 19.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.098 -0.501 . . . . 71.13 110.86 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 20.3 p -61.86 160.5 11.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.481 . . . . 64.05 110.885 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.0 111.58 15.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 74.44 111.119 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 25.4 mmtp -74.96 169.13 18.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 73.31 110.873 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -51.79 129.37 26.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 73.04 110.886 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 101.12 -29.98 11.36 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.695 -0.764 . . . . 71.34 112.479 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -62.74 155.1 27.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.946 0.403 . . . . 65.11 110.851 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.421 HG22 ' CE1' ' A' ' 73' ' ' TYR . 21.2 t -92.18 150.55 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 73.31 111.103 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 28.0 m -116.12 144.15 44.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 64.53 110.85 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 155.02 -33.37 0.66 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.692 -0.766 . . . . 61.15 112.462 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 76.8 m95 -91.68 46.08 1.26 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.804 0.335 . . . . 62.11 110.95 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 63.62 32.77 85.3 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.779 -0.724 . . . . 64.11 112.481 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -110.12 117.3 33.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.911 0.386 . . . . 74.13 110.863 -179.762 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.8 mmmm -98.64 136.41 38.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 71.42 110.906 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 73.0 m -58.78 152.52 18.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 73.13 110.908 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 19.5 m -68.26 168.81 11.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 62.01 110.919 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 36.3 m80 -54.27 126.73 24.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 71.22 110.884 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 98.97 -23.27 37.09 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.736 -0.745 . . . . 74.31 112.496 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.497 HD23 ' N ' ' A' ' 76' ' ' LYS . 17.0 mt -101.6 160.27 14.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.807 0.337 . . . . 73.11 110.93 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -150.16 159.06 44.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 74.43 110.908 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -118.39 127.9 26.3 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.622 0.725 . . . . 42.33 110.831 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 166.59 27.09 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.699 2.266 . . . . 55.11 112.35 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 54.5 mt -97.56 95.33 7.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 62.01 110.882 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -157.71 -174.77 5.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 75.02 111.091 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -51.85 -62.9 1.34 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 64.44 110.867 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 4.1 mp -131.8 83.08 58.45 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.714 0.769 . . . . 64.45 111.15 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 169.74 18.18 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.714 2.276 . . . . 53.1 112.303 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.421 ' CE1' HG22 ' A' ' 53' ' ' VAL . 45.2 m-85 -143.66 130.77 20.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 63.51 110.926 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 56.5 m -51.73 135.2 29.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 72.22 110.887 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -155.05 147.19 23.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 51.32 110.87 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.497 ' N ' HD23 ' A' ' 64' ' ' LEU . 7.9 mmmm -51.59 118.94 3.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 61.02 110.922 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -77.42 134.08 38.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 73.44 110.94 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.491 . . . . 75.52 110.89 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.473 -0.251 . . . . 64.1 112.473 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -120.42 69.24 0.86 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.851 0.358 . . . . 61.31 110.887 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 17.7 p -172.02 166.55 6.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 61.33 110.861 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -104.36 126.77 51.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 65.31 111.122 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.5 mtmt -58.18 168.96 0.9 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 65.12 110.882 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 77.1 tt0 -64.34 140.5 58.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 74.11 110.934 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.55 -28.64 9.65 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.752 -0.737 . . . . 74.54 112.438 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -77.25 161.05 28.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.916 0.388 . . . . 65.24 110.9 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.1 t -82.47 150.84 4.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.113 -0.494 . . . . 45.14 111.161 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 17.4 p -108.43 142.64 38.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 75.4 110.915 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 66.2 p -121.47 -170.08 1.97 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 74.45 110.827 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 19.9 t90 -68.28 -38.27 81.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.48 . . . . 75.12 110.912 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -94.99 -24.98 15.52 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.755 -0.736 . . . . 64.51 112.47 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.8 ttpt -103.78 113.53 27.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.832 0.349 . . . . 61.25 110.913 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.38 169.34 8.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 73.4 110.9 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.599 ' HB3' HD23 ' A' ' 19' ' ' LEU . 2.7 t -76.94 142.2 40.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 62.33 110.853 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 22.6 m -67.28 -36.12 80.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 71.33 110.878 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -116.76 73.34 0.86 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 75.0 110.868 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.599 HD23 ' HB3' ' A' ' 16' ' ' CYS . 86.3 mt -65.09 -31.72 73.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 63.33 110.864 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -59.21 -34.41 72.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.439 . . . . 74.55 110.818 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -97.77 -59.19 1.82 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.441 . . . . 64.54 110.927 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -94.34 160.99 14.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 41.4 110.898 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 8.5 p90 -152.09 175.11 12.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 73.51 110.902 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 84.9 m -108.85 88.2 5.21 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.628 0.728 . . . . 74.05 110.851 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 156.31 63.61 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.663 2.242 . . . . 73.41 112.336 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 24.0 mmt -65.61 101.59 0.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 73.53 110.899 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -163.41 168.63 20.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 71.42 110.893 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.444 ' HB2' HD12 ' A' ' 29' ' ' ILE . 91.7 m-85 -51.7 -57.08 10.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 74.0 110.888 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.444 HD12 ' HB2' ' A' ' 28' ' ' PHE . 3.8 mp -124.03 101.96 34.91 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.58 0.705 . . . . 75.14 111.157 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 120.84 7.56 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.661 2.241 . . . . 75.21 112.359 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 26.7 m80 -113.53 147.27 38.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 73.1 110.863 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 33.8 m -74.76 73.26 2.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 70.34 110.9 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt -113.37 148.39 35.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 75.1 110.927 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.3 ttpt -70.73 154.26 42.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 72.42 110.913 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -56.57 157.99 4.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 72.32 110.938 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.75 159.9 83.73 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.591 0.71 . . . . 72.2 110.913 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 166.01 28.99 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.687 2.258 . . . . 54.41 112.31 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 50.9 p90 -61.61 142.12 57.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 71.52 110.941 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.432 HG13 ' HD2' ' A' ' 40' ' ' PRO . 58.3 t -80.88 133.3 55.18 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.562 0.696 . . . . 72.43 111.153 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.432 ' HD2' HG13 ' A' ' 39' ' ' VAL . 53.8 Cg_endo -69.78 128.05 15.46 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.684 2.256 . . . . 62.31 112.347 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 25.7 t -64.65 134.74 29.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 53.41 111.084 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 14.2 t -95.59 160.57 14.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 74.5 111.136 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.1 p -68.87 161.39 28.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 70.33 111.11 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 67.8 m -78.91 139.03 38.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 63.14 110.862 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -97.27 161.01 14.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.114 -0.494 . . . . 71.44 110.853 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -160.89 136.0 7.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 71.13 110.859 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 17.3 p -61.83 165.75 5.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 73.51 110.887 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -83.32 112.74 20.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 72.44 111.102 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 33.4 mtmm -76.42 165.39 24.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 65.11 110.885 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.5 tm-20 -50.23 122.76 7.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 74.43 110.876 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 109.6 -29.65 9.26 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.708 -0.758 . . . . 51.24 112.502 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -64.27 148.95 49.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.902 0.382 . . . . 70.31 110.848 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.448 HG11 HG23 ' A' ' 71' ' ' ILE . 24.1 t -82.35 149.43 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 65.44 111.17 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 14.4 m -122.42 151.74 40.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 70.41 110.917 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 144.18 -59.12 0.52 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.721 -0.752 . . . . 34.35 112.492 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 6.0 m-90 -77.03 61.44 2.0 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.777 0.322 . . . . 73.5 110.908 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 63.37 32.66 84.91 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.762 -0.732 . . . . 73.03 112.503 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -115.91 126.68 54.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.983 0.421 . . . . 74.43 110.874 -179.771 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.56 158.15 27.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 75.05 110.896 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 67.4 m -84.26 159.67 20.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 74.23 110.904 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 17.8 m -69.46 169.96 11.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 73.33 110.868 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 13.9 p80 -56.8 116.83 3.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 64.23 110.889 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 109.37 -23.44 22.69 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.724 -0.75 . . . . 64.32 112.45 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.416 HD23 ' N ' ' A' ' 76' ' ' LYS . 9.6 mt -102.4 157.67 16.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.842 0.353 . . . . 64.12 110.942 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -148.45 162.31 39.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 73.02 110.904 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -115.02 140.23 25.31 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.607 0.718 . . . . 40.41 110.896 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 167.85 23.24 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.652 2.235 . . . . 60.01 112.352 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 82.0 mt -96.6 95.2 7.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 73.33 110.889 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -163.47 -174.73 3.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 73.2 111.108 179.772 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -56.37 -66.43 0.44 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 72.14 110.896 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.448 HG23 HG11 ' A' ' 53' ' ' VAL . 3.5 mp -119.37 82.03 23.52 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.666 0.746 . . . . 72.05 111.125 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 170.08 17.39 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.671 2.247 . . . . 71.24 112.368 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -143.88 130.91 20.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 63.42 110.903 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 55.5 m -51.26 142.56 12.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 45.3 110.848 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -160.84 147.24 15.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 63.22 110.847 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.416 ' N ' HD23 ' A' ' 64' ' ' LEU . 66.3 mmtt -50.99 118.76 3.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 73.32 110.936 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -52.89 118.1 3.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.219 -0.446 . . . . 72.12 110.917 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 20.4 ttp85 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.1 -0.5 . . . . 72.25 110.918 179.99 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.484 -0.246 . . . . 52.14 112.484 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -71.38 -178.99 2.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.911 0.386 . . . . 62.43 110.795 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 27.5 p -172.02 167.25 6.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.482 . . . . 75.44 110.853 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -97.52 147.35 24.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 73.24 111.083 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.33 175.37 10.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 71.54 110.915 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 52.0 tt0 -63.92 129.91 41.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 72.32 110.937 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.51 -28.68 9.52 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.694 -0.765 . . . . 63.23 112.492 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -66.28 159.19 27.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.924 0.392 . . . . 30.3 110.878 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 23.3 t -79.63 149.61 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 75.45 111.121 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 17.2 p -113.11 143.09 44.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 52.33 110.845 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 61.9 p -135.63 177.89 7.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 73.1 110.894 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 66.4 p-90 -55.63 -35.26 65.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.182 -0.463 . . . . 73.53 110.866 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -95.85 -24.87 14.2 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.749 -0.738 . . . . 54.21 112.467 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.69 106.68 17.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.859 0.361 . . . . 64.13 110.904 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -106.93 133.3 51.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 74.44 110.864 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -52.18 140.22 21.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 51.23 110.873 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 41.2 m -57.78 -35.53 70.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 64.24 110.915 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -117.8 79.14 1.32 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 63.51 110.87 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 95.9 mt -71.61 -34.3 69.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 73.35 110.935 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -57.82 -35.56 71.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 70.41 110.851 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -92.85 -58.27 2.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 73.55 110.887 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -94.45 144.17 25.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 74.53 110.889 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 6.6 p90 -128.49 176.01 8.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 73.03 110.871 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 89.3 m -114.7 91.54 25.91 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.632 0.73 . . . . 74.31 110.854 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 145.69 58.17 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.705 2.27 . . . . 72.23 112.361 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 5.8 tpt -65.04 107.25 1.46 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 71.01 110.903 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -163.63 172.45 14.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.2 -0.454 . . . . 73.53 110.891 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.462 ' HB2' HD12 ' A' ' 29' ' ' ILE . 92.1 m-85 -51.21 -57.4 8.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 71.41 110.844 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.462 HD12 ' HB2' ' A' ' 28' ' ' PHE . 2.9 mp -124.16 102.18 34.25 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.644 0.735 . . . . 63.43 111.141 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 126.79 13.72 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.688 2.258 . . . . 73.2 112.344 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 26.1 m80 -122.04 156.36 33.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 70.33 110.876 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 34.1 m -87.21 71.33 10.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 70.21 110.879 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.2 ttmt -115.02 130.8 57.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 75.42 110.957 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 24.8 ttmt -51.73 153.04 2.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 50.32 110.891 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -51.68 157.95 1.05 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 53.34 110.979 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 33.8 mtmt -55.27 159.93 3.88 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.538 0.685 . . . . 44.55 110.951 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 166.06 28.91 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.678 2.252 . . . . 71.24 112.328 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -57.86 141.97 47.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 74.33 110.919 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.424 HG13 ' HD2' ' A' ' 40' ' ' PRO . 58.6 t -73.48 133.29 80.49 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.617 0.723 . . . . 45.31 111.117 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.424 ' HD2' HG13 ' A' ' 39' ' ' VAL . 54.1 Cg_endo -69.76 157.6 59.83 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.663 2.242 . . . . 75.3 112.387 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 28.9 t -71.67 139.96 18.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 74.45 111.158 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.7 p -62.28 156.0 23.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 74.42 111.134 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.3 p -82.41 -177.29 6.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 72.4 111.159 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 63.3 p -69.39 142.54 53.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 51.25 110.826 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -89.14 133.27 34.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 71.51 110.861 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 32.6 t30 -150.65 122.94 8.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 55.21 110.908 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 21.3 p -62.17 159.13 15.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 53.14 110.867 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -77.81 112.8 15.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 65.32 111.132 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.5 ptmt -76.4 167.19 22.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 73.53 110.899 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 63.1 tt0 -51.59 128.2 22.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 70.12 110.867 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 103.26 -29.8 11.66 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.736 -0.745 . . . . 64.44 112.482 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -64.27 155.7 31.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.861 0.362 . . . . 54.14 110.916 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.8 t -90.54 149.93 3.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 71.54 111.124 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 34.3 m -116.35 143.81 45.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 73.34 110.861 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 151.97 -33.66 0.87 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.757 -0.735 . . . . 70.2 112.493 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 86.1 m95 -90.84 46.92 1.36 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.781 0.324 . . . . 62.22 110.892 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 64.07 32.66 84.94 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.739 -0.744 . . . . 63.1 112.442 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.65 119.54 39.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.889 0.376 . . . . 74.01 110.874 -179.755 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.5 mmmm -102.55 135.63 43.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.467 . . . . 75.31 110.905 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 72.0 m -58.85 152.61 18.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 74.52 110.82 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 20.2 m -68.16 167.18 14.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 72.54 110.867 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 41.0 m80 -51.85 128.84 25.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.463 . . . . 72.34 110.88 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 96.14 -23.19 35.75 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.774 -0.727 . . . . 71.22 112.502 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.462 HD23 ' HA ' ' A' ' 76' ' ' LYS . 20.1 mt -102.22 160.45 14.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.801 0.334 . . . . 75.11 110.932 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -153.48 159.97 42.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 73.42 110.843 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -116.21 131.5 23.76 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.654 0.74 . . . . 63.23 110.854 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 167.01 25.78 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.631 2.221 . . . . 52.41 112.35 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -97.18 95.35 7.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 61.43 110.944 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -159.59 -174.49 4.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 50.33 111.127 179.795 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -52.19 -65.77 0.5 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 71.11 110.885 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 4.0 mp -127.75 83.0 67.27 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.631 0.729 . . . . 41.32 111.131 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 169.8 17.98 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.659 2.239 . . . . 65.43 112.389 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -143.79 131.24 21.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 71.12 110.926 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 56.0 m -51.43 137.01 24.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 75.34 110.871 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -157.18 146.55 20.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.485 . . . . 72.5 110.885 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.462 ' HA ' HD23 ' A' ' 64' ' ' LEU . 2.9 mmmp? -51.62 118.8 3.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 63.51 110.923 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -55.33 129.77 39.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 74.44 110.973 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 16.4 mmt180 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 71.13 110.878 -179.977 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.475 -0.25 . . . . 44.12 112.475 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -139.13 153.58 47.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.841 0.353 . . . . 64.41 110.888 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 30.3 p -172.04 170.88 5.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 65.02 110.851 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -99.47 114.4 27.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 64.23 111.108 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.9 tttm -58.2 173.88 0.32 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 74.21 110.884 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 70.8 tt0 -58.54 125.27 22.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 64.24 110.895 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.72 -28.8 9.44 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.709 -0.758 . . . . 73.04 112.467 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -59.54 161.03 6.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.838 0.351 . . . . 64.1 110.937 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 90.5 t -79.18 144.34 11.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 63.32 111.144 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 22.7 p -117.78 137.63 52.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 63.15 110.886 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 93.7 p -140.45 -170.03 2.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 61.51 110.845 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 69.9 p-90 -64.19 -35.53 81.1 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.105 -0.498 . . . . 74.25 110.925 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -93.02 -24.88 21.47 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.687 -0.768 . . . . 60.24 112.481 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.0 tppt? -103.76 114.05 28.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.861 0.362 . . . . 61.54 110.889 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.23 129.84 48.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 71.33 110.873 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.589 ' HB3' HD23 ' A' ' 19' ' ' LEU . 2.6 t -58.04 136.34 57.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 71.45 110.92 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 40.5 m -58.16 -36.06 72.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 75.34 110.91 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -120.15 77.22 1.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 72.52 110.869 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.589 HD23 ' HB3' ' A' ' 16' ' ' CYS . 82.7 mt -67.19 -34.7 78.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 54.22 110.96 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -58.37 -35.91 72.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 75.15 110.877 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.6 m-80 -92.79 -58.61 2.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 74.2 110.861 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -94.49 146.08 24.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 64.42 110.853 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 19.7 p90 -124.35 170.8 10.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.488 . . . . 74.32 110.924 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -109.15 87.41 4.8 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.61 0.719 . . . . 54.32 110.903 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 167.2 25.11 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.706 2.271 . . . . 64.42 112.32 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 4.8 tpt -95.7 106.64 18.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 74.21 110.902 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -163.39 177.2 9.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 54.21 110.875 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.441 ' HB2' HD12 ' A' ' 29' ' ' ILE . 97.4 m-85 -51.59 -57.03 10.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 75.32 110.857 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.441 HD12 ' HB2' ' A' ' 28' ' ' PHE . 3.4 mp -123.92 102.29 34.9 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.618 0.723 . . . . 72.31 111.115 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 138.84 38.79 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.673 2.249 . . . . 73.41 112.369 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 35.6 m80 -134.82 165.79 24.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 71.43 110.849 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 34.1 m -100.39 81.08 2.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 74.42 110.905 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 43.4 mmtt -113.33 145.94 40.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.458 . . . . 71.25 110.93 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.3 ptpt -68.97 147.31 51.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 63.14 110.873 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -51.89 151.7 3.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 71.35 110.95 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 20.3 mttp -52.03 159.88 1.32 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.546 0.689 . . . . 74.43 110.919 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 166.02 29.01 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.694 2.263 . . . . 60.34 112.357 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -66.37 153.83 41.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 71.44 110.892 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.443 HG13 ' HD2' ' A' ' 40' ' ' PRO . 58.1 t -72.61 133.34 82.71 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.608 0.718 . . . . 74.11 111.106 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.443 ' HD2' HG13 ' A' ' 39' ' ' VAL . 54.0 Cg_endo -69.8 162.45 42.06 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.694 2.263 . . . . 64.43 112.362 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.9 t -73.6 149.21 8.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 73.14 111.154 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.9 t -52.47 148.2 7.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 64.43 111.155 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 64.14 36.65 9.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 65.04 111.129 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.4 p -86.63 156.56 19.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 73.1 110.875 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -96.02 119.17 34.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 73.5 110.842 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -164.71 140.3 5.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 74.32 110.892 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 18.0 p -62.19 161.72 10.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 70.43 110.878 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.01 112.67 17.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 74.04 111.095 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.6 ptmm? -76.55 168.89 19.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 61.25 110.867 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -51.71 125.8 15.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 75.2 110.923 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 104.7 -29.65 11.46 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.771 -0.728 . . . . 71.34 112.505 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -63.12 153.87 32.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.878 0.371 . . . . 64.31 110.853 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 22.0 t -89.61 149.84 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 54.54 111.093 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 28.1 m -116.49 159.49 21.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 71.45 110.852 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 124.86 -33.32 3.75 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.729 -0.748 . . . . 71.13 112.489 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 43.5 m95 -98.3 56.21 1.16 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.723 0.297 . . . . 74.35 110.881 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 63.71 32.78 85.31 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.728 -0.749 . . . . 63.3 112.451 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -116.95 116.44 27.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.894 0.378 . . . . 73.12 110.824 -179.712 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -108.08 130.43 55.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 63.44 110.858 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 82.3 m -57.84 151.34 18.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 73.23 110.85 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.44 ' HB2' HD12 ' A' ' 64' ' ' LEU . 20.7 m -71.2 170.51 12.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 74.4 110.853 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.7 t-160 -55.16 125.01 18.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 74.24 110.886 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 100.05 -23.17 37.01 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.759 -0.734 . . . . 41.33 112.521 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.576 HD23 ' N ' ' A' ' 76' ' ' LYS . 11.2 mt -99.56 160.49 14.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.759 0.314 . . . . 72.21 110.955 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -151.56 159.41 44.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.46 . . . . 71.45 110.848 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -117.2 131.5 23.98 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.61 0.719 . . . . 61.45 110.942 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 166.94 25.84 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.695 2.263 . . . . 70.35 112.326 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 8.8 mp -97.04 95.18 7.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 53.24 110.898 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -159.71 -174.72 4.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 70.23 111.094 179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 43.7 m-85 -52.38 -65.9 0.48 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 75.11 110.88 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 4.0 mp -127.03 82.92 67.23 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.659 0.742 . . . . 65.3 111.159 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 169.82 17.98 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.708 2.272 . . . . 74.42 112.318 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -143.32 132.21 22.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 72.12 110.916 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 55.7 m -51.64 140.2 19.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 64.43 110.897 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -158.48 141.63 14.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 72.13 110.927 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.576 ' N ' HD23 ' A' ' 64' ' ' LEU . 24.8 mmtp -51.27 118.97 3.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.454 . . . . 72.12 110.885 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -53.58 127.76 26.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 73.44 110.913 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 26.1 ttm180 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 64.01 110.821 -179.948 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.457 -0.257 . . . . 62.43 112.457 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -144.75 168.73 19.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.841 0.353 . . . . 71.23 110.866 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 28.2 p -171.99 173.24 4.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 72.15 110.869 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -105.56 119.28 38.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 74.35 111.084 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.84 174.98 0.22 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 73.44 110.933 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -70.27 137.24 50.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 72.21 110.885 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.64 -28.62 9.77 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.746 -0.74 . . . . 72.14 112.525 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -73.43 161.03 30.89 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.891 0.377 . . . . 70.24 110.878 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.4 t -78.13 150.17 5.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 52.44 111.117 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 20.4 p -112.4 143.17 43.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 44.12 110.868 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 66.8 p -134.68 -173.91 3.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 75.21 110.83 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 51.5 t90 -67.62 -40.47 84.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.131 -0.486 . . . . 54.34 110.898 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -86.62 -24.9 37.28 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.78 -0.724 . . . . 65.35 112.471 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.7 tppt? -103.59 114.24 28.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.8 0.333 . . . . 75.21 110.904 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? -105.6 127.65 53.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 73.3 110.886 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.476 ' HB3' HD23 ' A' ' 19' ' ' LEU . 1.9 t -51.63 141.28 16.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 62.3 110.897 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 37.6 m -59.68 -36.05 75.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 55.12 110.862 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -119.49 76.57 1.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 73.42 110.841 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.476 HD23 ' HB3' ' A' ' 16' ' ' CYS . 94.5 mt -67.45 -35.67 79.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.456 . . . . 75.4 110.906 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -57.74 -36.05 71.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 43.32 110.885 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.3 m-20 -91.92 -58.33 2.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 71.24 110.862 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -94.59 142.75 27.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 74.12 110.88 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 10.2 p90 -130.17 176.46 8.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.469 . . . . 54.42 110.899 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 85.1 m -108.77 87.85 4.82 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.612 0.72 . . . . 74.3 110.889 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 165.69 30.11 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.665 2.244 . . . . 72.1 112.354 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 33.8 mmt -82.45 103.01 11.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 73.03 110.856 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 21.2 pt-20 -163.35 172.13 15.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 71.43 110.857 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.456 ' HB2' HD12 ' A' ' 29' ' ' ILE . 78.7 m-85 -51.95 -57.3 9.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 74.12 110.85 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.456 HD12 ' HB2' ' A' ' 28' ' ' PHE . 3.8 mp -123.88 102.14 35.19 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.617 0.722 . . . . 71.21 111.118 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 121.51 8.19 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.666 2.244 . . . . 75.13 112.373 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 23.6 m80 -114.59 157.73 22.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 73.3 110.86 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 34.6 m -84.89 75.63 10.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 63.4 110.876 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -113.4 147.19 38.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 64.32 110.915 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -64.42 151.05 45.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 75.23 110.9 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 30.6 m-85 -52.06 153.52 2.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.25 -0.432 . . . . 74.34 110.891 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 31.7 mtpt -52.83 159.94 1.63 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.525 0.678 . . . . 71.21 110.917 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 166.0 29.15 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.656 2.238 . . . . 73.21 112.332 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -52.0 145.19 10.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 72.44 110.939 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.442 HG13 ' HD2' ' A' ' 40' ' ' PRO . 58.4 t -71.43 133.26 85.2 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.63 0.728 . . . . 75.45 111.158 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.442 ' HD2' HG13 ' A' ' 39' ' ' VAL . 54.0 Cg_endo -69.68 162.03 43.64 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.686 2.257 . . . . 62.31 112.371 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 38.9 t -55.12 138.24 15.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 62.32 111.1 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.5 p -120.48 162.37 19.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.473 . . . . 72.33 111.155 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.3 p -55.58 170.98 0.22 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 75.42 111.165 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 10.3 p -71.38 147.52 47.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 70.25 110.825 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -99.93 159.96 14.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.487 . . . . 74.11 110.898 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -153.96 116.87 4.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 71.04 110.881 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 18.1 p -61.75 160.56 11.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 73.2 110.905 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.3 113.31 17.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 64.11 111.117 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -76.66 168.29 20.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 72.34 110.853 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -51.63 127.58 20.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 73.4 110.88 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 103.71 -29.92 11.27 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.688 -0.768 . . . . 41.13 112.473 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -63.85 154.93 32.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.916 0.388 . . . . 72.21 110.872 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.8 t -90.07 150.13 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 43.34 111.142 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 26.9 m -116.78 153.75 31.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 73.02 110.883 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 131.74 -33.34 2.75 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.73 -0.748 . . . . 44.53 112.456 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 11.8 m95 -97.36 55.69 1.29 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.871 0.367 . . . . 70.52 110.933 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 63.52 32.6 84.71 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.711 -0.757 . . . . 72.52 112.56 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.02 116.47 27.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.916 0.388 . . . . 73.42 110.857 -179.726 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -107.82 132.47 53.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 72.24 110.903 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 75.8 m -58.36 151.26 20.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 62.53 110.876 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 17.3 m -70.03 170.73 10.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 70.02 110.844 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 7.3 m170 -56.15 124.97 19.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 74.44 110.867 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 101.11 -23.39 35.65 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.7 -0.762 . . . . 44.35 112.458 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.486 HD23 ' N ' ' A' ' 76' ' ' LYS . 13.1 mt -101.57 160.04 14.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.85 0.357 . . . . 74.5 110.86 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -150.36 160.9 43.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 72.32 110.832 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -117.29 132.07 23.71 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.607 0.718 . . . . 70.41 110.875 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 166.99 25.79 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.707 2.271 . . . . 74.43 112.329 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 8.8 mp -97.46 95.39 7.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 75.24 110.905 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -159.15 -174.63 4.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 73.02 111.079 179.785 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -52.92 -63.86 1.01 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 71.12 110.89 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 4.1 mp -128.97 82.74 68.12 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.657 0.741 . . . . 54.33 111.153 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.65 169.73 18.1 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.695 2.263 . . . . 73.23 112.396 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -143.45 132.13 22.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 63.24 110.916 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 54.9 m -51.6 136.48 26.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 64.21 110.882 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -156.23 145.87 20.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 72.21 110.885 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.486 ' N ' HD23 ' A' ' 64' ' ' LEU . 22.1 mmtp -51.17 118.95 3.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 75.42 110.927 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -55.91 133.29 51.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 72.31 110.906 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 63.5 ttt-85 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 51.33 110.905 179.998 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.487 -0.245 . . . . 64.03 112.487 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -75.93 -176.91 3.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.859 0.362 . . . . 73.4 110.879 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.6 p -171.97 145.54 1.87 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 42.42 110.856 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -74.94 135.66 41.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 64.23 111.104 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 16.4 mtmm -58.2 171.62 0.54 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 73.24 110.86 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 63.8 tt0 -64.21 121.87 15.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 61.0 110.847 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.65 -28.71 9.59 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.761 -0.733 . . . . 30.41 112.497 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -62.64 152.67 34.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.888 0.375 . . . . 65.42 110.928 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 58.6 t -66.19 142.51 16.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 55.31 111.163 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 8.8 p -120.55 137.45 54.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 73.11 110.859 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 89.4 p -111.86 -170.2 1.61 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 73.34 110.89 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 7.8 t90 -64.07 -37.52 87.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 74.12 110.91 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -91.69 -24.83 24.64 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.759 -0.734 . . . . 74.21 112.493 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.8 tttt -103.76 113.81 27.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.825 0.345 . . . . 72.21 110.897 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.6 164.21 12.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 73.42 110.851 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 59.6 m -73.45 132.75 43.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 73.32 110.896 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 79.4 m -52.1 -36.14 50.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 72.2 110.889 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 -112.56 97.05 6.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 74.31 110.882 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 70.8 mt -79.46 -35.87 39.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 73.22 110.915 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -59.18 -36.09 74.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 50.24 110.855 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 60.0 m-80 -98.83 -59.87 1.65 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 61.43 110.878 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -94.7 170.81 9.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 70.2 110.89 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 6.1 p90 -162.1 172.53 15.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 64.42 110.875 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -108.89 88.6 5.6 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.633 0.73 . . . . 73.44 110.918 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 159.84 51.93 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.668 2.245 . . . . 55.55 112.335 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 42.6 tpp -91.29 105.53 17.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 73.23 110.882 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -163.39 -178.7 6.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 70.44 110.903 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -51.39 -53.74 33.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 75.44 110.878 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.7 mp -123.92 102.1 35.12 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.6 0.714 . . . . 61.01 111.1 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 121.62 8.3 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.622 2.215 . . . . 70.42 112.333 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 34.3 m80 -115.02 169.13 9.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 75.14 110.848 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 34.6 m -107.2 63.45 0.63 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 63.32 110.882 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.32 168.0 10.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 75.22 110.926 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 34.3 mtmt -73.68 158.6 34.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 64.21 110.895 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -51.85 149.23 5.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.43 . . . . 73.44 110.941 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.85 157.6 44.31 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.541 0.686 . . . . 72.04 110.93 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 125.08 11.71 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.655 2.237 . . . . 74.1 112.334 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 -53.28 150.43 6.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 73.43 110.942 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.423 HG13 ' HD2' ' A' ' 40' ' ' PRO . 58.2 t -125.77 133.32 24.79 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.622 0.725 . . . . 75.44 111.13 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.423 ' HD2' HG13 ' A' ' 39' ' ' VAL . 53.4 Cg_endo -69.87 126.92 13.8 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.63 2.22 . . . . 73.34 112.348 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 30.2 t -98.61 145.87 9.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 61.13 111.122 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -52.08 162.34 0.49 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 72.53 111.131 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 64.09 36.51 9.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 72.11 111.119 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 15.6 p -89.07 165.41 14.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 72.24 110.854 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -70.66 137.63 50.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.098 -0.501 . . . . 74.41 110.892 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 16.4 t30 -174.72 157.16 2.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 61.43 110.877 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 26.4 p -62.21 150.91 37.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 71.42 110.892 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.17 110.57 8.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 54.23 111.087 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.7 ptpp? -75.28 168.95 19.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 74.23 110.885 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 49.1 tt0 -52.01 127.39 21.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 74.44 110.852 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 103.99 -29.71 11.59 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.734 -0.746 . . . . 73.21 112.503 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -63.35 154.99 30.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.902 0.382 . . . . 73.11 110.885 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.408 HG22 ' CE1' ' A' ' 73' ' ' TYR . 21.7 t -92.49 149.35 4.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 61.22 111.113 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 20.5 m -116.39 142.22 47.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 64.02 110.875 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 164.8 -31.46 0.24 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.767 -0.73 . . . . 65.22 112.49 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 81.7 m95 -92.91 40.79 1.06 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.79 0.329 . . . . 74.14 110.937 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 63.46 32.9 85.72 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.717 -0.754 . . . . 55.31 112.545 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.1 m -106.5 116.14 31.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.973 0.416 . . . . 74.31 110.871 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.9 mtpt -82.56 157.44 23.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 71.21 110.874 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 69.8 m -80.94 141.84 34.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 72.2 110.897 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.625 ' HB2' HD12 ' A' ' 64' ' ' LEU . 89.3 m -51.6 167.14 0.11 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 75.12 110.897 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 13.3 m80 -55.96 127.01 28.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 42.42 110.876 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 87.43 18.89 56.28 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.76 -0.733 . . . . 74.41 112.493 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.625 HD12 ' HB2' ' A' ' 61' ' ' CYS . 32.5 mt -141.07 160.09 40.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.82 0.343 . . . . 60.32 110.937 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -153.35 162.28 41.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 64.03 110.835 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -116.26 131.04 24.01 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.627 0.727 . . . . 63.12 110.83 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 166.98 25.74 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.735 2.29 . . . . 74.33 112.342 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 15.9 mt -96.69 95.4 7.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 63.12 110.931 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -160.1 -174.73 4.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 64.13 111.118 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -52.59 -66.12 0.44 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 64.35 110.895 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.6 mp -126.62 82.8 66.22 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.601 0.715 . . . . 74.52 111.096 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 169.72 18.29 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.715 2.277 . . . . 74.31 112.345 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.408 ' CE1' HG22 ' A' ' 53' ' ' VAL . 38.5 m-85 -144.63 131.01 19.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 74.54 110.93 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 55.8 m -51.61 134.52 29.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.098 -0.501 . . . . 54.34 110.857 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.2 pt-20 -155.17 158.66 39.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 75.52 110.916 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 5.7 mmmm -51.47 118.77 3.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.131 -0.486 . . . . 71.32 110.883 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -54.12 117.77 3.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.26 -0.427 . . . . 63.54 110.93 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.48 . . . . 60.4 110.863 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 29.6 p . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.887 0.375 . . . . 75.34 110.827 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -83.6 132.7 34.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 73.24 111.062 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.8 mmmm -59.65 175.0 0.39 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 73.32 110.905 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 62.1 tt0 -69.18 123.64 21.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 74.43 110.902 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.78 -28.7 9.71 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.684 -0.77 . . . . 31.22 112.511 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -65.03 159.91 22.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.912 0.387 . . . . 75.42 110.862 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 t -72.63 150.01 8.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 74.32 111.126 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 17.6 p -122.31 142.79 50.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 72.3 110.877 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 91.6 p -123.74 -173.85 2.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 75.21 110.92 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 72.0 t90 -60.04 -38.94 84.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.175 -0.466 . . . . 71.54 110.898 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -92.76 -24.86 22.15 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.772 -0.727 . . . . 64.31 112.464 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.62 106.97 17.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.825 0.345 . . . . 74.3 110.888 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -105.81 144.97 31.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.292 -0.413 . . . . 73.54 110.905 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 61.1 m -52.18 132.43 33.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 64.15 110.871 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 66.9 m -52.18 -36.3 51.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 71.34 110.854 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -113.52 99.39 7.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.471 . . . . 71.02 110.884 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 46.6 mt -79.58 -36.54 38.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 75.41 110.897 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -61.94 -37.05 83.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 64.33 110.863 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -94.26 -58.65 2.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 73.15 110.902 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -97.53 162.01 13.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 73.23 110.896 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -153.09 176.83 11.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 75.13 110.914 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 98.2 m -108.36 88.67 5.15 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.607 0.717 . . . . 71.13 110.883 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 149.21 66.92 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.74 2.293 . . . . 72.33 112.378 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 27.9 ttm -79.93 104.61 10.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 70.24 110.909 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -163.3 -179.24 6.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 72.03 110.865 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.503 ' HB2' HD12 ' A' ' 29' ' ' ILE . 94.7 m-85 -51.99 -55.92 17.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 74.52 110.879 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.503 HD12 ' HB2' ' A' ' 28' ' ' PHE . 3.9 mp -123.83 102.14 35.35 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.628 0.728 . . . . 75.44 111.105 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 121.45 8.14 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.678 2.252 . . . . 61.33 112.338 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 33.3 m80 -114.12 169.38 9.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 74.12 110.799 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 68.8 m -105.19 65.57 0.73 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 72.31 110.856 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.88 165.75 12.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 73.15 110.876 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.5 ttmt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 75.53 110.886 179.875 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 16.9 p . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.775 0.321 . . . . 70.21 110.894 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.69 112.26 11.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 73.44 111.147 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -76.91 167.79 21.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 74.44 110.873 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 16.6 tm-20 -51.53 128.19 22.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 70.44 110.879 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 102.55 -29.81 11.72 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.721 -0.752 . . . . 54.33 112.494 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -63.28 154.8 30.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.928 0.394 . . . . 73.42 110.877 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 23.3 t -89.22 149.59 3.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.118 -0.492 . . . . 71.41 111.128 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 34.7 m -116.91 151.61 36.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.448 . . . . 74.12 110.897 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 141.54 -33.49 1.97 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.755 -0.736 . . . . 74.1 112.467 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 19.4 m-90 -94.57 51.48 1.43 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.882 0.372 . . . . 74.32 110.948 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 63.79 32.53 84.49 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.741 -0.742 . . . . 72.11 112.517 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.37 119.44 39.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.976 0.417 . . . . 72.54 110.844 -179.698 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -106.68 127.87 53.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 71.51 110.93 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 72.4 m -55.19 150.08 11.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 72.44 110.868 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 22.1 m -66.68 166.89 12.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 71.13 110.859 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 9.4 p80 -52.14 128.72 25.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 74.41 110.849 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 96.78 -23.27 36.17 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.779 -0.724 . . . . 71.13 112.49 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.602 HD21 ' HE3' ' A' ' 76' ' ' LYS . 13.2 mt -102.96 160.21 14.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.777 0.322 . . . . 50.23 110.929 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -153.18 161.47 42.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.462 . . . . 65.45 110.885 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -115.79 133.69 22.8 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.615 0.722 . . . . 74.13 110.901 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 167.26 25.04 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.703 2.269 . . . . 75.4 112.358 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -97.2 95.19 7.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 70.33 110.921 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -160.07 -174.58 4.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 63.2 111.143 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -52.91 -66.02 0.46 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 55.44 110.84 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.6 mp -126.2 82.71 65.0 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.59 0.71 . . . . 71.14 111.1 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 169.83 18.01 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.663 2.242 . . . . 74.41 112.303 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -143.85 131.29 21.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 73.53 110.95 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 54.3 m -51.2 137.38 22.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 70.11 110.899 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -157.89 147.16 19.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 70.14 110.843 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.602 ' HE3' HD21 ' A' ' 64' ' ' LEU . 27.1 mmtp -51.53 118.87 3.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 70.2 110.871 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 32.0 t80 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 75.3 110.944 -179.985 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 28.0 p . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.834 0.35 . . . . 62.12 110.896 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -89.55 127.68 35.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 43.23 111.124 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 52.3 mtpt -65.26 171.15 4.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 73.32 110.912 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -63.01 121.74 14.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 75.52 110.9 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.75 -28.72 9.66 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.747 -0.739 . . . . 53.22 112.493 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -61.1 161.02 9.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.873 0.368 . . . . 74.35 110.92 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.3 t -75.81 150.51 6.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 64.31 111.113 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.3 p -116.82 142.16 47.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 54.24 110.884 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 97.7 p -137.38 -174.55 3.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 55.14 110.859 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 69.9 p-90 -63.12 -37.9 89.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.117 -0.492 . . . . 73.21 110.927 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -87.63 -24.81 34.67 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.707 -0.758 . . . . 72.03 112.487 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.63 108.9 20.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.869 0.366 . . . . 74.22 110.915 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 34.4 mttp -107.26 125.89 51.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 71.14 110.893 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.601 ' HB3' HD23 ' A' ' 19' ' ' LEU . 0.7 OUTLIER -51.97 134.05 32.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 74.02 110.839 179.934 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -59.82 -35.97 75.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.094 -0.503 . . . . 74.41 110.904 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -118.62 78.68 1.29 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 53.41 110.849 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.601 HD23 ' HB3' ' A' ' 16' ' ' CYS . 57.2 mt -67.39 -35.25 78.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.45 . . . . 65.51 110.938 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -59.04 -35.86 74.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 75.25 110.851 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -90.81 -56.7 3.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 70.3 110.903 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -94.69 138.75 32.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 74.1 110.854 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 5.2 p90 -131.8 159.51 38.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 71.23 110.893 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 76.9 m -108.73 88.87 5.68 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.606 0.717 . . . . 51.34 110.862 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 165.24 31.63 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.691 2.261 . . . . 71.41 112.333 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 87.2 mmm -69.44 106.13 2.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 73.34 110.876 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -163.39 165.44 23.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 72.41 110.873 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -51.88 -56.37 14.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 74.34 110.891 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.425 ' HA ' ' HD2' ' A' ' 30' ' ' PRO . 3.7 mp -123.86 102.24 35.15 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.614 0.721 . . . . 73.34 111.137 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.425 ' HD2' ' HA ' ' A' ' 29' ' ' ILE . 53.9 Cg_endo -69.74 142.03 46.92 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.709 2.273 . . . . 71.02 112.357 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 32.9 m80 -136.9 144.46 43.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 63.32 110.895 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 34.7 m -71.69 81.24 0.85 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.443 . . . . 65.42 110.882 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.87 146.93 39.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 74.13 110.86 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 18.1 mtpt . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 63.24 110.9 179.853 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 17.4 p . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.848 0.356 . . . . 64.35 110.919 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.45 110.46 5.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 52.21 111.095 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 46.3 pttt -78.11 163.88 25.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 74.22 110.933 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -50.21 123.75 9.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 71.01 110.893 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 109.95 -29.72 9.04 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.755 -0.736 . . . . 74.23 112.473 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -66.63 150.05 49.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.924 0.392 . . . . 73.41 110.873 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.442 HG11 HG23 ' A' ' 71' ' ' ILE . 35.7 t -82.76 148.59 5.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 72.41 111.104 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 26.9 m -119.75 172.69 7.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 75.13 110.892 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 128.06 -49.76 0.91 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.776 -0.726 . . . . 60.4 112.511 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 82.8 m95 -82.55 56.09 3.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.852 0.358 . . . . 73.53 110.938 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 63.56 32.65 84.86 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.741 -0.742 . . . . 71.02 112.457 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.6 m -103.31 116.83 33.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.916 0.389 . . . . 70.12 110.856 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -107.93 118.61 37.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.104 -0.498 . . . . 73.51 110.898 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 79.6 m -51.9 154.62 2.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 71.23 110.874 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 52.9 m -57.55 161.9 3.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 71.11 110.879 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 13.8 p80 -52.36 116.35 2.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 71.14 110.856 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 109.35 -23.27 23.09 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.728 -0.748 . . . . 70.34 112.445 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.427 HD23 ' C ' ' A' ' 75' ' ' GLU . 11.6 mt -102.54 153.69 19.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.797 0.332 . . . . 73.05 110.932 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -144.01 163.81 32.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 73.42 110.896 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -114.65 141.09 26.16 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.622 0.725 . . . . 75.32 110.831 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 167.88 23.1 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.696 2.264 . . . . 72.34 112.36 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 29.3 mt -96.37 95.07 7.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 74.13 110.911 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -163.6 -174.77 3.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 31.13 111.091 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -56.81 -66.55 0.43 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 64.23 110.848 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.442 HG23 HG11 ' A' ' 53' ' ' VAL . 3.5 mp -118.63 82.02 19.27 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.62 0.724 . . . . 72.24 111.109 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 169.83 17.94 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.652 2.234 . . . . 75.53 112.345 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -143.86 130.67 20.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 63.02 110.891 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 58.6 m -51.5 139.21 20.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 64.2 110.855 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.427 ' C ' HD23 ' A' ' 64' ' ' LEU . 8.3 pt-20 -157.94 160.64 37.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 53.2 110.876 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 30.8 mmtp -51.8 118.86 3.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 62.35 110.946 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 88.9 t80 . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.289 -0.414 . . . . 72.51 110.917 -179.936 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 24.5 p . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.86 0.362 . . . . 71.14 110.928 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.665 ' HB2' ' HG2' ' A' ' 14' ' ' LYS . . . -96.87 159.52 14.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 73.11 111.111 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 20.4 mttp -78.81 174.58 11.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 73.5 110.877 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 62.4 tt0 -70.39 119.77 15.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 75.43 110.888 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.69 -28.67 9.7 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.756 -0.735 . . . . 42.21 112.524 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -60.65 156.02 17.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.912 0.387 . . . . 54.24 110.842 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.4 t -72.69 150.46 8.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.475 . . . . 75.45 111.148 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 31.9 p -116.38 137.52 52.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 70.33 110.88 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 94.9 p -116.8 -171.55 2.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 74.24 110.84 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 32.3 t90 -61.06 -36.61 80.07 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.1 -0.5 . . . . 74.12 110.911 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -95.28 -24.89 15.22 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.754 -0.736 . . . . 75.23 112.502 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.665 ' HG2' ' HB2' ' A' ' 4' ' ' ALA . 1.5 ttpt -103.03 108.41 19.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.889 0.376 . . . . 71.13 110.928 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -107.39 143.68 35.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 73.32 110.872 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 92.2 m -52.07 119.65 4.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 62.34 110.894 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -52.14 -39.32 59.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 74.31 110.902 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -103.17 94.64 5.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 61.21 110.842 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 71.4 mt -82.04 -37.49 26.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 74.22 110.869 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -59.58 -36.11 75.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 75.0 110.893 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -99.26 -59.06 1.79 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 71.13 110.85 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -95.07 170.79 9.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 74.23 110.913 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -166.12 176.83 7.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 73.22 110.879 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 90.1 m -108.36 88.75 5.22 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.653 0.739 . . . . 74.34 110.911 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 158.25 57.56 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.707 2.271 . . . . 42.11 112.312 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 17.8 ttm -81.17 102.36 10.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 75.51 110.896 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -163.32 176.75 9.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 53.02 110.876 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.415 ' HB2' HD12 ' A' ' 29' ' ' ILE . 97.4 m-85 -51.95 -57.09 10.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 74.4 110.896 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.415 HD12 ' HB2' ' A' ' 28' ' ' PHE . 3.8 mp -123.84 102.13 35.35 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.577 0.703 . . . . 74.41 111.139 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 29' ' ' ILE . 53.6 Cg_endo -69.76 121.43 8.12 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.672 2.248 . . . . 75.54 112.325 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 31.6 m80 -114.2 143.61 44.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 74.4 110.86 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 82.4 m -76.92 64.47 2.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 54.4 110.882 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.1 ptpt -113.38 168.49 9.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 55.51 110.902 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.2 mtpm? . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 75.02 110.844 179.873 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 6.7 p . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.856 0.36 . . . . 63.11 110.871 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.03 114.38 13.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 73.52 111.11 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.2 ptmm? -77.54 163.76 26.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.266 -0.425 . . . . 71.01 110.915 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 -50.46 124.15 10.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 53.11 110.866 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 109.87 -29.71 9.09 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.745 -0.74 . . . . 75.54 112.507 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -66.58 150.46 48.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.883 0.373 . . . . 64.23 110.861 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.446 ' CG1' HG23 ' A' ' 71' ' ' ILE . 44.6 t -83.48 147.67 5.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 71.11 111.12 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 27.4 m -118.45 178.62 4.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 54.22 110.908 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 111.25 -34.5 5.26 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.699 -0.762 . . . . 74.44 112.501 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 95.6 m95 -89.2 48.96 1.69 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.79 0.328 . . . . 74.52 110.892 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 63.58 32.59 84.66 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.758 -0.734 . . . . 70.21 112.442 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -114.51 121.22 42.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.925 0.393 . . . . 44.41 110.872 -179.748 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.92 132.65 47.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.09 -0.504 . . . . 72.0 110.861 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 85.8 m -58.58 161.44 4.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 73.12 110.874 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.55 ' HB2' HD12 ' A' ' 64' ' ' LEU . 86.0 m -68.85 169.07 12.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.481 . . . . 72.54 110.885 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 9.6 t-160 -56.45 115.59 2.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 71.44 110.871 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 97.34 18.82 27.45 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.714 -0.755 . . . . 71.55 112.516 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.55 HD12 ' HB2' ' A' ' 61' ' ' CYS . 16.2 mt -141.53 149.18 40.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.808 0.337 . . . . 73.54 110.928 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -144.31 164.78 29.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 64.34 110.847 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -114.28 140.06 24.58 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.635 0.731 . . . . 74.31 110.875 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 167.79 23.36 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.647 2.232 . . . . 64.01 112.352 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 44.8 mt -93.67 95.1 8.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 61.25 110.943 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -163.18 -174.64 3.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 70.21 111.105 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.513 ' HB3' HD12 ' A' ' 71' ' ' ILE . 3.9 m-85 -58.29 -66.56 0.46 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 73.31 110.891 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.513 HD12 ' HB3' ' A' ' 70' ' ' PHE . 4.4 mp -118.22 82.04 17.72 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.601 0.715 . . . . 72.34 111.179 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 169.73 18.21 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.645 2.23 . . . . 71.23 112.303 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.401 ' CE1' HG22 ' A' ' 71' ' ' ILE . 33.5 m-85 -143.16 130.55 21.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 53.5 110.923 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 55.7 m -51.3 138.97 20.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.505 . . . . 71.04 110.905 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.438 ' C ' HD23 ' A' ' 64' ' ' LEU . 2.3 pp20? -157.98 156.55 31.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 75.35 110.847 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -51.66 118.85 3.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 74.03 110.925 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 10.1 p90 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 72.04 110.92 -179.911 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 17.3 p . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.86 0.362 . . . . 73.41 110.884 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -91.18 119.81 31.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 62.25 111.146 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.17 175.39 1.28 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 54.52 110.891 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -60.61 116.46 4.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 75.22 110.887 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.57 -28.71 14.62 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.743 -0.741 . . . . 73.22 112.477 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -57.42 160.91 3.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.899 0.38 . . . . 72.52 110.877 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 20.7 t -83.17 150.98 4.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 75.24 111.124 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 17.5 p -111.71 142.68 43.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 72.24 110.918 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 64.6 p -149.41 -179.4 7.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 72.12 110.858 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 34.2 t90 -56.84 -35.55 68.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.139 -0.482 . . . . 71.03 110.923 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -94.17 -24.88 18.16 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.727 -0.749 . . . . 75.23 112.475 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -103.76 106.49 17.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.855 0.359 . . . . 74.32 110.884 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.3 mmpt? -107.77 123.27 48.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 75.23 110.896 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.452 ' HB3' HD23 ' A' ' 19' ' ' LEU . 0.9 OUTLIER -51.91 145.37 10.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 64.11 110.912 179.93 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -64.09 -46.88 82.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 75.35 110.934 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -110.81 77.02 1.01 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 70.35 110.837 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.452 HD23 ' HB3' ' A' ' 16' ' ' CYS . 78.4 mt -62.02 -35.28 78.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.214 -0.448 . . . . 74.44 110.932 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -56.45 -35.96 68.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 75.33 110.912 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 52.8 m-20 -92.5 -55.43 3.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 74.53 110.919 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -94.43 135.92 35.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 75.33 110.902 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 20.6 p90 -129.27 175.68 8.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 74.44 110.966 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 66.6 m -109.22 87.11 4.61 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.573 0.701 . . . . 72.13 110.915 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 158.42 56.95 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.668 2.245 . . . . 73.05 112.332 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 34.0 tpp -70.7 102.99 2.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 71.45 110.891 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -163.67 168.29 20.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 65.53 110.872 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -51.32 -57.08 9.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 75.43 110.884 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.3 mp -124.04 102.29 34.51 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.651 0.738 . . . . 73.34 111.138 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 123.28 9.93 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.663 2.242 . . . . 60.51 112.324 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 23.3 m80 -117.64 151.27 37.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 74.45 110.892 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 34.1 m -71.8 81.16 0.88 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 44.12 110.871 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.1 ttmt -115.6 130.84 57.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 65.22 110.907 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.2 ptpt . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 73.12 110.926 179.859 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 19.3 p . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.872 0.368 . . . . 51.55 110.893 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -78.07 113.42 15.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 73.12 111.111 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 47.3 pttt -76.18 166.79 22.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 73.01 110.898 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -51.6 128.7 23.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.226 -0.443 . . . . 72.42 110.894 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 102.74 -29.84 11.65 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.785 -0.721 . . . . 64.12 112.499 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -63.83 155.81 29.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.874 0.369 . . . . 43.4 110.893 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 22.1 t -90.05 149.45 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 72.43 111.186 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 33.8 m -116.61 143.57 45.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 73.42 110.871 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 154.26 -33.42 0.71 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.765 -0.731 . . . . 45.44 112.539 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 22.7 m-90 -91.53 46.35 1.29 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.802 0.334 . . . . 73.32 110.969 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 64.22 32.67 84.96 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.732 -0.747 . . . . 73.34 112.442 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -109.29 116.89 32.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.961 0.41 . . . . 74.14 110.866 -179.78 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.6 mmmm -99.71 133.42 44.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.092 -0.504 . . . . 62.14 110.908 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 74.2 m -57.8 151.42 17.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 63.11 110.855 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 25.4 m -65.63 167.07 9.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 75.51 110.88 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 5.9 p-80 -52.23 128.39 24.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 75.54 110.894 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 96.8 -23.34 35.87 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.722 -0.752 . . . . 65.33 112.478 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.452 HD23 ' HA ' ' A' ' 76' ' ' LYS . 20.8 mt -102.21 160.5 14.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.805 0.335 . . . . 73.22 110.96 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -153.87 160.31 42.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 54.02 110.885 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -116.24 132.15 23.43 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.638 0.732 . . . . 72.14 110.901 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 167.03 25.6 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.72 2.28 . . . . 62.32 112.342 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -97.12 95.29 7.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 73.42 110.921 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -159.66 -174.4 4.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 74.1 111.04 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -52.18 -65.84 0.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 64.03 110.863 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.9 mp -127.75 82.96 67.35 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.633 0.73 . . . . 75.01 111.111 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 169.83 18.07 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.644 2.23 . . . . 61.55 112.351 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -143.49 131.71 21.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 74.31 110.892 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 55.3 m -51.47 137.51 23.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 62.3 110.881 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -158.09 147.2 19.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 63.42 110.86 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.452 ' HA ' HD23 ' A' ' 64' ' ' LEU . 26.5 mmtp -51.26 118.73 3.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 75.14 110.882 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 16.5 t80 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 73.43 110.982 179.989 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 30.1 p . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.863 0.363 . . . . 65.21 110.827 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -104.91 132.51 51.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 70.41 111.094 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.67 167.8 1.39 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 73.13 110.887 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 59.7 tt0 -63.39 125.34 23.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 51.34 110.87 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.19 -28.78 9.88 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.743 -0.741 . . . . 75.3 112.482 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -62.58 158.64 17.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.904 0.383 . . . . 74.13 110.908 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 59.9 t -73.96 145.93 10.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 73.52 111.083 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 17.6 p -121.2 151.42 39.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 62.41 110.822 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 66.7 p -138.89 -174.52 3.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 72.41 110.869 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 68.9 t90 -57.27 -36.09 70.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.16 -0.473 . . . . 72.12 110.863 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -95.26 -24.84 15.41 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.733 -0.746 . . . . 54.23 112.484 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.7 tppt? -101.7 109.99 21.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.88 0.372 . . . . 74.32 110.849 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.9 mtpp -106.84 134.21 50.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 74.21 110.939 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 80.0 m -51.96 135.11 31.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 71.2 110.882 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 57.5 m -54.24 -43.69 71.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 74.11 110.905 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -103.64 98.27 8.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 65.3 110.828 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 68.0 mt -84.77 -36.19 21.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 74.5 110.943 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -61.98 -36.02 80.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 63.35 110.882 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 19.8 m120 -97.01 -56.69 2.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 71.41 110.9 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -95.9 163.23 13.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 64.14 110.911 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -156.09 176.89 12.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 72.32 110.929 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 98.4 m -108.37 88.71 5.19 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.634 0.731 . . . . 51.33 110.885 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 162.53 41.7 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.683 2.256 . . . . 54.43 112.36 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.4 107.07 16.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 61.32 110.904 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -163.31 172.1 15.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 75.15 110.879 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 51.9 m-85 -52.05 -49.8 62.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 75.13 110.876 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.4 mt -123.74 102.16 35.62 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.592 0.71 . . . . 34.5 111.152 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 121.39 8.08 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.65 2.233 . . . . 64.25 112.343 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 34.9 m170 -111.39 175.98 5.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 74.44 110.834 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 36.4 m -109.15 57.42 0.61 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 74.41 110.915 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 28.0 mtmt -113.39 170.89 7.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 72.25 110.913 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.2 ptpt . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 53.15 110.906 179.858 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 16.7 p . . . . . 0 CA--C 1.526 0.054 0 CA-C-O 120.836 0.35 . . . . 64.31 110.865 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.35 112.08 16.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 54.4 111.096 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 53.9 mttp -76.12 167.84 21.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.447 . . . . 72.13 110.947 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -51.72 129.44 26.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 64.11 110.928 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 101.09 -29.91 11.5 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.76 -0.733 . . . . 72.34 112.513 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 49.8 mm-40 -63.13 153.43 34.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.929 0.395 . . . . 70.41 110.872 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.7 t -87.97 149.91 3.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 71.44 111.145 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 35.6 m -116.44 144.36 44.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 62.1 110.895 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 147.45 -34.07 1.29 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.725 -0.75 . . . . 72.51 112.513 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 88.1 m95 -90.68 49.09 1.61 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.797 0.332 . . . . 74.41 110.883 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 64.06 32.78 85.31 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.716 -0.754 . . . . 23.52 112.472 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -112.11 123.95 51.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.957 0.408 . . . . 61.15 110.83 -179.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.9 mmtt -109.51 130.48 55.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.093 -0.503 . . . . 70.45 110.858 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 71.8 m -54.32 151.41 7.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 74.44 110.885 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 18.0 m -68.65 168.83 12.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 74.04 110.875 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 38.1 m-70 -53.74 127.16 24.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 73.2 110.905 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 98.56 -23.31 36.78 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.746 -0.74 . . . . 74.11 112.489 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.437 HD23 ' N ' ' A' ' 76' ' ' LYS . 15.0 mt -102.24 160.51 14.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.824 0.345 . . . . 74.32 110.909 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -152.61 159.12 43.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 73.11 110.84 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -115.54 132.59 23.05 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.621 0.724 . . . . 62.52 110.895 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 166.81 26.34 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.693 2.262 . . . . 62.44 112.359 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -97.04 95.39 7.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 70.05 110.943 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -159.74 -174.71 4.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 74.33 111.094 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -52.27 -65.99 0.46 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 74.42 110.851 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.7 mp -127.19 82.83 67.45 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.626 0.727 . . . . 73.32 111.103 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 169.74 18.23 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.669 2.246 . . . . 72.02 112.324 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -143.39 131.41 21.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 75.35 110.965 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 55.4 m -51.77 137.88 24.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 71.31 110.873 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -158.05 146.66 19.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 62.12 110.919 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.437 ' N ' HD23 ' A' ' 64' ' ' LEU . 61.7 mmtt -51.49 118.88 3.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 72.05 110.928 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 7.9 t80 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 74.11 110.91 -179.926 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.0 p . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.81 0.338 . . . . 60.23 110.896 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -93.85 134.68 35.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 25.55 111.065 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.6 tttm -58.92 162.36 4.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 74.04 110.877 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 61.1 tt0 -61.38 113.72 2.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 73.32 110.859 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.99 -28.66 15.01 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.694 -0.765 . . . . 74.34 112.481 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -60.31 160.22 8.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.847 0.356 . . . . 70.1 110.891 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.5 t -71.44 150.29 9.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 74.34 111.184 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.5 p -119.32 142.2 48.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 53.03 110.826 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.3 p -128.97 -179.0 4.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 71.21 110.887 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 56.2 t90 -57.48 -36.23 71.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 75.01 110.918 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -93.91 -24.8 19.14 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.708 -0.758 . . . . 75.24 112.469 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.6 ttpt -102.41 110.67 22.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.852 0.358 . . . . 73.44 110.901 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.2 mmmm -107.55 150.66 26.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 74.14 110.878 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 27.1 m -73.9 130.41 39.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 70.14 110.864 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -52.21 -45.15 65.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.499 . . . . 65.33 110.866 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -99.14 87.34 3.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 72.55 110.883 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 91.6 mt -79.2 -36.07 40.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 75.13 110.908 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -63.63 -36.03 82.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 64.53 110.859 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -92.5 -56.39 3.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 72.23 110.871 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -99.99 157.08 16.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 73.13 110.864 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -148.97 176.82 10.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.117 -0.492 . . . . 75.12 110.944 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.407 ' HA ' ' HD2' ' A' ' 25' ' ' PRO . 87.9 m -108.32 88.74 5.17 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.632 0.73 . . . . 32.43 110.913 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 24' ' ' CYS . 53.7 Cg_endo -69.74 152.38 69.42 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.705 2.27 . . . . 51.32 112.326 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -74.77 106.94 6.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 53.1 110.875 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -163.3 179.27 7.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.451 . . . . 72.34 110.873 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.433 ' HB2' HD12 ' A' ' 29' ' ' ILE . 54.8 m-85 -51.94 -56.94 11.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 71.42 110.896 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.433 HD12 ' HB2' ' A' ' 28' ' ' PHE . 3.8 mp -123.84 102.21 35.26 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.613 0.72 . . . . 74.45 111.122 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 121.55 8.23 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.676 2.25 . . . . 74.34 112.328 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 30.7 m80 -114.26 169.88 8.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 65.24 110.854 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 84.8 m -97.69 59.39 1.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 53.31 110.932 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.2 ptpt -113.34 170.95 7.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 74.33 110.897 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.3 ptmt . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 70.05 110.897 179.885 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 28.5 p . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.876 0.369 . . . . 71.3 110.866 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -92.79 113.21 25.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 64.42 111.122 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -77.6 168.93 19.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 73.01 110.873 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -51.92 125.81 16.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 52.23 110.889 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 105.43 -30.0 10.57 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.724 -0.75 . . . . 61.15 112.454 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -63.4 155.69 28.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.859 0.361 . . . . 63.1 110.916 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 22.0 t -90.4 149.45 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 51.51 111.137 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 27.9 m -116.8 146.12 43.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 61.44 110.9 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 145.35 -33.53 1.57 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.751 -0.738 . . . . 72.3 112.46 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 83.1 m95 -90.51 47.27 1.41 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.757 0.313 . . . . 75.1 110.9 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 64.05 32.36 83.94 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.789 -0.72 . . . . 51.43 112.446 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.54 120.04 40.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.956 0.408 . . . . 73.31 110.867 -179.792 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.89 135.93 41.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.505 . . . . 72.13 110.863 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 93.6 m -57.34 146.66 28.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 54.53 110.852 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 33.1 m -63.22 170.44 2.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 71.44 110.882 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 17.1 p80 -57.62 123.48 15.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 52.52 110.863 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 93.81 18.67 36.81 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.711 -0.757 . . . . 55.0 112.471 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 13.2 mt -141.7 160.13 40.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.812 0.339 . . . . 74.42 110.941 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -151.23 159.33 44.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 45.1 110.91 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -116.74 133.31 23.06 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.639 0.733 . . . . 73.33 110.887 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 167.12 25.32 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.668 2.245 . . . . 75.25 112.327 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 8.8 mp -97.6 95.54 7.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 63.21 110.912 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -159.37 -174.47 4.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 53.53 111.109 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.402 ' HB2' HD12 ' A' ' 71' ' ' ILE . 22.3 m-85 -53.04 -64.1 0.93 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 74.55 110.856 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.402 HD12 ' HB2' ' A' ' 70' ' ' PHE . 4.3 mp -128.63 82.6 68.3 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.644 0.735 . . . . 75.43 111.138 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 169.76 18.17 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.699 2.266 . . . . 62.41 112.341 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 43.5 m-85 -143.61 132.15 22.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 73.41 110.914 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 54.6 m -51.55 137.49 24.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 70.24 110.908 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -156.08 151.56 26.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 75.23 110.868 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 52.9 mmtt -51.71 119.01 3.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 75.21 110.915 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 17.3 t80 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 73.33 110.901 -179.934 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 27.2 p . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.837 0.351 . . . . 73.35 110.898 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.433 ' HB2' ' HG2' ' A' ' 14' ' ' LYS . . . -96.66 159.85 14.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.462 . . . . 74.55 111.099 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.1 mmmt -77.56 172.88 12.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 63.52 110.851 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 61.8 tt0 -70.53 118.14 12.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 73.34 110.867 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.68 -28.71 9.6 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.713 -0.756 . . . . 44.1 112.481 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 54.3 mm-40 -61.47 148.04 43.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.885 0.374 . . . . 60.12 110.91 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.4 t -62.18 150.47 8.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 73.21 111.151 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.6 p -113.29 141.93 46.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 14.31 110.834 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 77.4 p -114.28 -173.71 2.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 72.11 110.875 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 51.1 t90 -62.77 -35.66 80.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 73.12 110.941 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -99.42 -24.83 9.81 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.704 -0.76 . . . . 43.31 112.472 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.433 ' HG2' ' HB2' ' A' ' 4' ' ' ALA . 0.0 OUTLIER -100.59 106.54 18.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.854 0.359 . . . . 74.12 110.905 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -107.57 157.34 18.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 73.32 110.866 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 56.5 m -57.77 122.74 13.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 63.05 110.87 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -52.23 -36.14 51.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 75.24 110.911 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -114.27 100.2 8.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 75.52 110.854 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 77.2 mt -80.63 -36.34 32.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 74.43 110.905 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -61.88 -36.05 80.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 74.43 110.848 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -96.33 -58.57 2.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 72.24 110.91 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -94.72 164.72 12.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 74.51 110.878 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -164.1 158.65 19.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.492 . . . . 72.12 110.914 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.5 m -111.82 88.46 9.82 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.599 0.714 . . . . 62.53 110.933 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 170.57 16.26 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.737 2.291 . . . . 63.35 112.286 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 18.7 mtp -80.55 108.69 14.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.457 . . . . 55.43 110.884 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 21.1 pt-20 -163.31 178.36 8.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 75.02 110.893 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.47 ' HB2' HD12 ' A' ' 29' ' ' ILE . 95.8 m-85 -52.04 -57.02 10.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 73.34 110.903 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.47 HD12 ' HB2' ' A' ' 28' ' ' PHE . 3.7 mp -123.89 102.12 35.2 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.668 0.747 . . . . 63.23 111.146 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 121.45 8.15 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.68 2.253 . . . . 70.0 112.386 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 23.0 m80 -114.47 176.84 4.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 75.5 110.847 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 85.2 m -115.01 66.41 0.69 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 71.3 110.878 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.1 mtpt -113.49 167.71 10.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 51.14 110.916 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.1 tppt? . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 73.44 110.9 179.888 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 4.9 p . . . . . 0 CA--C 1.527 0.074 0 CA-C-O 120.782 0.325 . . . . 65.14 110.881 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.88 112.17 9.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 72.32 111.077 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 31.0 mttt -76.06 167.94 20.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 74.34 110.899 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -51.68 127.38 20.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 75.3 110.838 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 103.44 -29.8 11.6 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.72 -0.752 . . . . 64.35 112.483 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -63.66 155.23 30.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.881 0.372 . . . . 70.23 110.934 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.4 t -89.32 150.44 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 73.13 111.127 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 34.5 m -116.55 167.76 10.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 70.44 110.839 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 114.52 -34.17 5.04 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.731 -0.747 . . . . 64.21 112.508 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 9.7 m0 -92.3 45.28 1.2 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.81 0.338 . . . . 74.52 110.936 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 70.54 32.61 67.63 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.723 -0.751 . . . . 61.05 112.5 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -116.71 119.39 35.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.941 0.401 . . . . 74.04 110.882 -179.717 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.87 135.64 46.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 74.24 110.906 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 71.2 m -65.79 142.09 58.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.274 -0.421 . . . . 72.21 110.904 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 34.9 m -60.65 169.21 1.89 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 73.43 110.885 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -55.4 127.77 31.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 74.22 110.858 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 98.97 -23.22 37.3 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.773 -0.727 . . . . 74.4 112.484 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 76' ' ' LYS . 12.7 mt -102.52 160.43 14.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.799 0.333 . . . . 62.51 110.893 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -152.21 161.17 43.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 74.5 110.83 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -116.54 132.81 23.15 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.629 0.728 . . . . 75.34 110.925 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 166.9 26.06 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.704 2.269 . . . . 73.33 112.36 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 93.6 mt -97.04 95.43 7.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 72.21 110.885 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -159.94 -174.62 4.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 61.2 111.095 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.421 ' HB2' HD12 ' A' ' 71' ' ' ILE . 47.4 m-85 -52.42 -65.94 0.47 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 72.43 110.895 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.421 HD12 ' HB2' ' A' ' 70' ' ' PHE . 3.6 mp -127.03 82.84 67.39 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.644 0.735 . . . . 64.3 111.147 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 169.7 18.27 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.702 2.268 . . . . 74.2 112.311 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -143.59 132.02 22.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 73.12 110.911 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 55.5 m -51.52 136.8 25.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 61.25 110.862 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -157.07 147.27 21.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 74.53 110.878 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.41 ' HA ' HD23 ' A' ' 64' ' ' LEU . 27.4 mmtp -51.1 118.94 3.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 72.31 110.898 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 29.6 t80 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 74.24 110.892 -179.936 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.9 p . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.859 0.362 . . . . 54.35 110.853 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.728 ' HB2' ' HD2' ' A' ' 14' ' ' LYS . . . -97.78 121.03 39.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 45.53 111.05 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.65 175.0 1.55 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 74.05 110.868 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 71.3 tt0 -66.0 128.73 37.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 64.24 110.902 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.6 -28.65 9.68 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.757 -0.735 . . . . 63.01 112.516 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -67.42 161.0 26.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.928 0.394 . . . . 72.11 110.85 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 39.7 t -78.08 148.01 6.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 73.2 111.111 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 24.9 p -119.27 139.76 51.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 53.21 110.881 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 84.7 p -137.33 -172.67 3.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 64.32 110.86 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 67.9 p-90 -61.99 -38.49 88.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.153 -0.476 . . . . 72.51 110.924 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -89.65 -24.86 29.33 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.74 . . . . 74.34 112.439 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.728 ' HD2' ' HB2' ' A' ' 4' ' ' ALA . 0.1 OUTLIER -103.51 108.63 19.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.858 0.361 . . . . 73.43 110.911 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 45.5 mmtt -100.94 124.73 47.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 73.35 110.875 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.547 ' HA ' ' HB3' ' A' ' 4' ' ' ALA . 1.7 t -51.92 137.75 25.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 70.04 110.929 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 53.3 m -56.91 -35.89 69.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 73.11 110.88 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -119.38 77.37 1.2 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 73.12 110.901 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.495 HD23 ' HB3' ' A' ' 16' ' ' CYS . 85.8 mt -67.45 -34.37 77.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 45.33 110.935 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -58.58 -35.7 72.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 73.43 110.8 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.2 m120 -93.03 -57.66 2.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.447 . . . . 55.22 110.865 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -94.52 144.63 25.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 74.53 110.876 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 10.3 p90 -128.68 176.12 8.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 74.04 110.933 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 91.4 m -108.96 88.55 5.63 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.575 0.702 . . . . 72.51 110.863 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 147.45 63.3 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.698 2.266 . . . . 73.42 112.332 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 33.9 mmt -73.37 102.86 3.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.256 -0.429 . . . . 73.02 110.914 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -163.46 176.41 9.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 43.52 110.881 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -51.68 -57.18 9.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 74.03 110.897 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.6 mp -124.0 102.09 34.88 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.627 0.727 . . . . 63.43 111.121 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 121.41 8.09 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.659 2.24 . . . . 54.31 112.31 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 29.8 m80 -114.72 158.78 21.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 74.24 110.868 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 34.5 m -88.0 80.18 7.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 71.51 110.916 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 73.0 mttt -113.32 161.38 17.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 73.33 110.929 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 25.5 mtmt . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 74.1 110.877 179.877 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 22.7 p . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.891 0.377 . . . . 63.23 110.879 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -97.96 113.86 25.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 72.41 111.1 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -78.33 168.21 20.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 71.0 110.897 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 54.1 tt0 -51.91 126.56 18.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 73.42 110.895 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 105.22 -29.73 11.11 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.728 -0.749 . . . . 72.32 112.427 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -64.71 155.09 34.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.918 0.39 . . . . 71.41 110.88 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 23.9 t -89.95 149.41 4.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 61.34 111.128 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 29.5 m -116.99 149.7 39.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 70.33 110.88 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 141.45 -33.15 2.01 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.731 -0.747 . . . . 41.31 112.504 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 48.6 m95 -90.37 46.95 1.38 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.795 0.331 . . . . 74.25 110.925 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 63.51 32.87 85.61 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.765 -0.731 . . . . 63.43 112.479 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -116.73 116.7 28.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.963 0.411 . . . . 62.35 110.827 -179.739 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.04 145.62 25.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 74.33 110.914 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 95.4 m -65.67 147.66 53.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 75.43 110.911 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 43.0 m -64.5 170.87 3.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 73.44 110.848 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 9.4 t60 -56.77 125.73 23.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.177 -0.465 . . . . 72.14 110.852 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 90.51 18.81 47.35 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.749 -0.738 . . . . 73.13 112.509 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 40.5 mt -141.52 160.33 40.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.849 0.357 . . . . 60.51 110.918 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -153.39 159.42 42.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 75.13 110.857 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -116.23 133.85 22.88 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.588 0.709 . . . . 63.11 110.916 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 167.2 25.16 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.691 2.261 . . . . 62.14 112.343 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -96.86 95.34 7.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 74.23 110.952 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -160.41 -174.65 4.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 62.45 111.069 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.44 ' O ' HD13 ' A' ' 71' ' ' ILE . 14.8 m-85 -52.98 -66.14 0.44 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 60.35 110.862 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.44 HD13 ' O ' ' A' ' 70' ' ' PHE . 27.3 mm -125.89 82.59 64.17 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.58 0.705 . . . . 71.15 111.126 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 169.79 18.1 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.704 2.269 . . . . 52.33 112.325 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -143.53 132.1 22.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 74.2 110.944 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 55.5 m -51.35 139.84 18.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 64.22 110.857 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 25.1 pt-20 -158.83 151.83 22.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 74.34 110.88 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -51.44 118.75 3.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 71.11 110.933 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 14.1 p90 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 75.12 110.899 -179.897 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 27.2 p . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.886 0.374 . . . . 73.13 110.895 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -95.84 130.83 42.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 65.54 111.131 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.83 164.92 11.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 65.33 110.88 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 55.8 tt0 -62.77 128.49 36.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 72.03 110.873 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.56 -28.76 10.26 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.72 -0.752 . . . . 60.23 112.456 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -69.67 160.99 30.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.959 0.409 . . . . 62.44 110.88 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 20.9 t -76.4 150.81 6.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.128 -0.487 . . . . 75.34 111.155 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 17.4 p -114.39 144.85 42.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 64.53 110.867 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 81.2 p -131.86 179.63 5.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 70.14 110.856 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 67.9 t90 -59.82 -41.23 90.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 73.31 110.919 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -86.96 -24.88 36.21 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.796 -0.716 . . . . 73.4 112.493 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -103.68 109.74 21.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.824 0.345 . . . . 74.2 110.881 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 26.5 mmtm -102.87 134.73 45.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 75.43 110.888 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.568 ' HB3' HD23 ' A' ' 19' ' ' LEU . 1.6 t -51.85 144.72 10.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 75.41 110.886 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 33.4 m -65.22 -35.92 82.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 62.35 110.884 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -124.78 83.2 2.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 71.2 110.85 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.568 HD23 ' HB3' ' A' ' 16' ' ' CYS . 65.9 mt -68.16 -35.27 77.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.175 -0.466 . . . . 73.42 110.922 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -58.0 -35.97 72.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 73.31 110.883 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 60.2 m-20 -92.26 -57.73 2.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 73.42 110.934 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -94.6 142.43 27.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 62.32 110.867 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 5.3 p90 -131.59 160.17 36.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 72.14 110.901 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 76.2 m -108.74 89.01 5.83 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.647 0.737 . . . . 43.1 110.864 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 163.15 39.36 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.633 2.222 . . . . 73.31 112.34 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 81.5 mmm -72.45 105.1 4.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 73.13 110.867 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -163.37 171.09 16.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 61.55 110.834 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.419 ' HB2' HD12 ' A' ' 29' ' ' ILE . 74.9 m-85 -51.83 -57.04 10.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 74.34 110.85 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.422 ' HA ' ' HD2' ' A' ' 30' ' ' PRO . 3.8 mp -123.82 102.22 35.31 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.619 0.723 . . . . 71.12 111.129 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 29' ' ' ILE . 54.3 Cg_endo -69.75 123.0 9.67 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.658 2.239 . . . . 74.52 112.384 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 22.8 m80 -116.4 150.46 37.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 72.53 110.849 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 34.3 m -83.7 85.09 7.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 72.33 110.9 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.0 ptmt -119.59 147.1 44.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 54.35 110.906 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 18.8 mtpt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 64.41 110.894 179.873 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 17.8 p . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.829 0.347 . . . . 70.23 110.889 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.57 112.74 17.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 74.51 111.075 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.0 pttp -75.97 168.66 19.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 60.33 110.888 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.5 tm-20 -51.46 130.04 26.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 64.41 110.902 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 100.18 -29.73 11.6 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.807 -0.711 . . . . 74.12 112.472 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -63.14 154.84 29.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.882 0.372 . . . . 70.25 110.89 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.2 t -90.22 150.76 3.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 72.23 111.135 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 33.7 m -116.37 143.82 45.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 70.52 110.853 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 147.66 -34.02 1.27 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.685 -0.769 . . . . 44.44 112.468 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 23.9 m-90 -91.24 48.25 1.48 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.829 0.347 . . . . 74.44 110.92 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 64.57 32.71 85.1 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.732 -0.747 . . . . 62.12 112.466 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.48 121.33 44.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.95 0.405 . . . . 72.31 110.852 -179.768 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.1 mmtm -106.31 131.35 53.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 62.1 110.864 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 72.9 m -55.42 150.05 12.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 74.34 110.913 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 21.0 m -67.4 167.86 11.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 74.33 110.901 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 13.8 m80 -53.33 128.31 27.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 62.15 110.833 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 97.6 -23.34 36.34 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.742 -0.742 . . . . 75.44 112.425 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.476 HD23 ' HA ' ' A' ' 76' ' ' LYS . 13.8 mt -101.8 160.12 14.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.842 0.353 . . . . 63.01 110.917 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -151.63 159.2 44.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 64.55 110.938 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -115.74 131.03 23.89 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.608 0.718 . . . . 55.33 110.873 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 166.63 26.96 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.682 2.255 . . . . 64.23 112.361 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 8.8 mp -97.28 95.44 7.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 63.51 110.95 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -159.13 -174.66 4.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 73.42 111.088 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -52.08 -64.85 0.68 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 72.44 110.868 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 4.3 mp -128.8 82.83 67.88 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.614 0.721 . . . . 73.04 111.128 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 169.72 18.26 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.653 2.235 . . . . 61.14 112.343 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 42.4 m-85 -143.85 131.88 21.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 61.33 110.902 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 56.6 m -51.54 136.86 25.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.096 -0.502 . . . . 61.24 110.868 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -156.7 145.01 19.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.155 -0.475 . . . . 65.01 110.892 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.476 ' HA ' HD23 ' A' ' 64' ' ' LEU . 28.3 mmmt -51.78 119.0 3.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 72.42 110.854 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 27.3 t80 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 61.12 110.925 -179.974 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 17.8 p . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.792 0.329 . . . . 61.44 110.871 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -91.9 141.39 28.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 62.3 111.092 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 53.7 mtpt -65.19 172.89 2.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 75.21 110.908 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 74.9 tt0 -69.31 124.44 23.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.249 -0.432 . . . . 73.1 110.86 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.76 -28.74 9.6 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 30.02 112.473 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -63.06 147.26 51.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.879 0.371 . . . . 55.51 110.878 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 90.0 t -63.98 144.58 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 71.05 111.084 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 18.5 p -114.04 142.44 46.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 71.14 110.908 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 86.4 p -126.4 -170.05 2.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 61.22 110.888 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 69.9 p-90 -61.11 -35.94 78.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.148 -0.478 . . . . 74.2 110.893 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -96.63 -24.84 12.8 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.723 -0.751 . . . . 70.34 112.538 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.92 108.14 19.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.863 0.363 . . . . 74.53 110.9 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.1 mtpp -107.49 140.74 40.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 73.34 110.916 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 75.1 m -52.31 124.21 12.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 53.21 110.843 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -52.18 -38.8 58.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 71.11 110.904 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -105.54 95.46 5.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 70.25 110.835 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 66.3 mt -82.07 -36.77 27.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 63.5 110.908 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -61.22 -36.52 80.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 64.31 110.844 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 31.0 m120 -97.41 -58.48 2.0 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 73.54 110.91 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -95.29 169.19 10.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 73.2 110.842 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 2.8 p90 -164.89 176.85 8.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 74.3 110.895 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 70.8 m -108.32 88.68 5.12 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.665 0.745 . . . . 65.12 110.928 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 167.42 24.42 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.707 2.272 . . . . 74.44 112.324 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 54.3 mmm -86.2 105.7 16.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 74.4 110.946 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -163.28 170.74 17.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 74.44 110.93 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -51.97 -48.82 64.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 73.24 110.888 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.401 ' HA ' ' HD2' ' A' ' 30' ' ' PRO . 2.6 mt -123.73 102.13 35.69 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.574 0.702 . . . . 73.44 111.154 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 29' ' ' ILE . 53.3 Cg_endo -69.83 121.24 7.92 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.631 2.221 . . . . 70.32 112.349 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 34.3 m170 -112.37 177.59 4.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 75.32 110.869 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 53.0 m -113.01 58.88 0.65 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 51.43 110.912 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.1 ptpt -113.39 170.88 7.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 74.05 110.927 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.3 ttmm . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 73.45 110.914 179.826 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 9.0 p . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.785 0.326 . . . . 52.54 110.918 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -76.93 112.43 13.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 73.32 111.051 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 44.5 mtpt -76.1 167.53 21.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 72.22 110.845 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -51.61 128.47 23.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 74.13 110.895 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 103.05 -29.7 11.92 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.792 -0.718 . . . . 54.54 112.496 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -63.99 155.98 29.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.901 0.382 . . . . 62.02 110.906 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 22.1 t -91.51 149.61 4.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.163 -0.471 . . . . 74.15 111.138 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 28.4 m -116.27 142.94 46.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 73.03 110.839 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 152.25 -33.81 0.85 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.779 -0.724 . . . . 53.43 112.518 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 33.8 m95 -90.62 46.81 1.36 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.831 0.348 . . . . 74.24 110.916 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 63.54 32.63 84.82 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.716 -0.754 . . . . 74.23 112.528 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -116.83 118.07 31.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.905 0.383 . . . . 64.32 110.871 -179.723 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.53 156.14 16.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 73.53 110.889 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 77.6 m -77.18 149.94 35.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 74.51 110.905 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 30.7 m -64.0 169.13 4.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 64.24 110.913 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 17.3 t-80 -53.85 128.34 29.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 73.23 110.865 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 96.61 -23.15 36.51 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.74 -0.743 . . . . 71.04 112.488 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.444 HD23 ' HA ' ' A' ' 76' ' ' LYS . 22.6 mt -101.79 160.52 14.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.804 0.335 . . . . 75.33 110.92 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -154.21 160.76 42.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 73.44 110.861 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -115.69 132.02 23.37 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.6 0.714 . . . . 71.23 110.914 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 167.0 25.74 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.714 2.276 . . . . 44.45 112.328 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 57.5 mt -97.08 95.4 7.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 72.44 110.945 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -160.06 -174.53 4.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 72.14 111.086 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.479 ' O ' HD13 ' A' ' 71' ' ' ILE . 16.0 m-85 -52.42 -66.13 0.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 60.34 110.877 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.479 HD13 ' O ' ' A' ' 70' ' ' PHE . 32.3 mm -126.84 82.88 66.78 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.655 0.741 . . . . 52.3 111.171 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 169.68 18.33 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.654 2.236 . . . . 64.31 112.38 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 45.4 m-85 -143.96 131.8 21.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 73.02 110.899 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 54.9 m -51.43 136.45 25.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 73.23 110.873 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -156.78 148.09 22.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 64.25 110.93 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.444 ' HA ' HD23 ' A' ' 64' ' ' LEU . 18.1 mmmt -51.39 118.8 3.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 74.45 110.903 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 29.3 t80 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 74.25 110.889 -179.934 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 17.4 p . . . . . 0 N--CA 1.457 -0.08 0 CA-C-O 120.84 0.353 . . . . 51.52 110.924 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -89.86 126.68 35.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 50.01 111.132 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 21.3 mmmt -64.09 175.36 1.26 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 62.15 110.927 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 54.1 tt0 -63.96 126.92 29.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.426 . . . . 74.22 110.871 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.76 -28.69 9.72 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.738 -0.744 . . . . 61.04 112.507 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 57.7 mm-40 -62.11 160.51 12.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.883 0.373 . . . . 63.11 110.866 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.506 HG13 ' O ' ' A' ' 30' ' ' PRO . 90.4 t -83.89 144.64 9.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 63.15 111.106 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 18.2 p -111.19 142.42 43.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.467 . . . . 62.3 110.915 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 58.0 p -136.45 -169.97 2.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 55.21 110.849 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 6.5 t90 -62.48 -35.67 80.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.49 . . . . 73.45 110.883 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -96.2 -24.87 13.56 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.744 -0.741 . . . . 72.33 112.48 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.57 108.53 19.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.875 0.369 . . . . 74.14 110.847 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.5 mmmm -106.88 134.0 50.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 63.15 110.884 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.642 ' HB3' HD23 ' A' ' 19' ' ' LEU . 0.9 OUTLIER -52.03 153.14 2.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 75.14 110.865 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -81.79 -36.03 28.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 73.15 110.883 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -109.11 59.75 0.6 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.198 -0.455 . . . . 54.5 110.889 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.642 HD23 ' HB3' ' A' ' 16' ' ' CYS . 64.9 mt -52.54 -34.88 52.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.44 . . . . 70.31 110.914 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -58.53 -34.51 71.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 71.41 110.913 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.7 m-80 -94.12 -60.93 1.62 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 74.04 110.895 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -94.8 153.16 17.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 74.44 110.888 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -136.16 176.84 8.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 72.22 110.949 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 86.6 m -108.32 88.86 5.27 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.633 0.73 . . . . 63.34 110.852 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 161.56 45.45 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.663 2.242 . . . . 42.42 112.353 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 11.8 ttm -83.42 104.37 13.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 73.35 110.89 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -163.11 170.53 17.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 73.42 110.935 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -52.03 -55.36 21.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.478 . . . . 62.01 110.826 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.406 ' HA ' ' HD2' ' A' ' 30' ' ' PRO . 3.4 mp -123.84 102.19 35.26 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.635 0.731 . . . . 61.41 111.125 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.506 ' O ' HG13 ' A' ' 9' ' ' VAL . 54.0 Cg_endo -69.74 149.45 67.03 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.703 2.269 . . . . 74.43 112.331 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.451 ' CD2' HG22 ' A' ' 9' ' ' VAL . 34.2 m80 -143.04 167.08 22.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 74.45 110.885 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 34.9 m -97.41 68.47 2.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 71.15 110.912 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.2 pttp -113.4 142.79 45.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 73.35 110.929 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.9 ttpt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 75.52 110.896 179.858 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 16.2 p . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.814 0.34 . . . . 74.22 110.869 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.99 112.74 10.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 72.35 111.139 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -76.5 168.45 20.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 64.12 110.887 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -51.5 129.05 24.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.243 -0.435 . . . . 63.54 110.906 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 101.33 -29.8 11.74 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.8 -0.714 . . . . 64.23 112.533 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -61.95 156.05 22.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.859 0.362 . . . . 73.51 110.885 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 39.7 t -90.7 148.38 4.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 74.54 111.13 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 26.7 m -116.49 155.37 28.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 73.04 110.883 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 138.07 -36.44 1.92 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.766 -0.731 . . . . 43.55 112.469 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 56.3 m95 -91.93 51.26 1.8 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.795 0.331 . . . . 74.31 110.896 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 63.45 32.72 85.1 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.725 -0.75 . . . . 35.23 112.472 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -110.07 116.76 32.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.929 0.395 . . . . 75.34 110.855 -179.72 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.3 mmmm -103.44 130.1 50.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 61.33 110.898 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 76.0 m -58.51 150.51 22.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.273 -0.421 . . . . 71.45 110.902 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.48 ' HB2' HD12 ' A' ' 64' ' ' LEU . 30.5 m -64.06 166.03 8.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 71.12 110.883 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 7.7 t-160 -51.9 127.33 20.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 73.34 110.854 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 97.92 -23.28 36.71 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.742 -0.742 . . . . 64.14 112.53 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.59 HD23 ' N ' ' A' ' 76' ' ' LYS . 8.2 mt -101.56 160.31 14.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.817 0.341 . . . . 65.31 110.938 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -154.85 160.93 41.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.188 -0.46 . . . . 61.13 110.868 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -114.68 134.73 22.35 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.656 0.741 . . . . 74.41 110.852 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 167.61 23.87 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.713 2.275 . . . . 71.14 112.378 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 92.2 mt -97.01 95.19 7.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.429 . . . . 74.13 110.943 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -160.43 -174.37 4.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 71.32 111.101 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.603 ' HB3' HD12 ' A' ' 71' ' ' ILE . 4.5 m-85 -53.22 -66.27 0.42 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 70.11 110.873 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.603 HD12 ' HB3' ' A' ' 70' ' ' PHE . 4.0 mp -125.44 82.5 62.84 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.6 0.715 . . . . 71.11 111.114 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 169.9 17.74 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.68 2.253 . . . . 72.52 112.361 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -144.11 133.24 22.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 61.43 110.867 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 55.4 m -51.32 141.23 15.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.108 -0.496 . . . . 72.4 110.893 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -161.6 143.26 11.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 75.21 110.865 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.59 ' N ' HD23 ' A' ' 64' ' ' LEU . 68.9 mmtt -51.54 118.89 3.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 73.24 110.905 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 67.7 t80 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 71.4 110.951 -179.969 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 20.7 p . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.854 0.359 . . . . 71.44 110.874 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -104.94 125.69 51.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 71.01 111.077 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.7 mmmp? -58.09 161.95 3.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 53.32 110.888 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 64.2 tt0 -58.65 126.36 27.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 75.01 110.925 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.44 -28.72 11.18 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.713 -0.755 . . . . 52.0 112.465 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 48.3 mm-40 -72.6 143.63 48.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.892 0.377 . . . . 75.15 110.913 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.5 t -62.36 150.25 8.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 45.53 111.148 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 31.7 p -118.39 137.69 52.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 74.33 110.914 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 61.7 p -117.17 -172.98 2.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 74.45 110.835 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 27.9 t90 -60.23 -35.83 76.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 74.15 110.922 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -94.77 -24.85 16.5 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.743 -0.742 . . . . 61.43 112.475 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -103.72 110.67 22.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.881 0.372 . . . . 60.41 110.902 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.2 mmtm -107.5 146.66 31.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 73.2 110.885 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 87.9 m -53.03 129.31 30.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 65.22 110.874 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 62.2 m -52.15 -37.8 55.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 75.21 110.9 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -111.21 102.65 11.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 73.25 110.871 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 62.2 mt -84.34 -36.11 22.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 74.43 110.92 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -59.78 -38.24 81.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 64.11 110.872 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 53.0 m-80 -97.96 -58.45 1.98 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 73.34 110.911 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -94.65 170.12 9.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 70.25 110.899 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 17.4 p90 -170.89 176.58 4.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.162 -0.472 . . . . 73.45 110.936 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 68.6 m -109.23 85.18 3.26 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.64 0.733 . . . . 74.03 110.878 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 166.88 26.14 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.715 2.276 . . . . 51.21 112.33 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 12.2 ttm -80.71 105.64 12.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 64.1 110.887 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -163.14 170.58 17.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 74.42 110.905 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.529 ' HB2' HD12 ' A' ' 29' ' ' ILE . 65.0 m-85 -51.96 -54.76 25.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 71.33 110.922 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.529 HD12 ' HB2' ' A' ' 28' ' ' PHE . 3.9 mp -123.83 102.29 35.2 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.603 0.716 . . . . 65.21 111.141 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 29' ' ' ILE . 53.6 Cg_endo -69.78 123.2 9.87 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.692 2.261 . . . . 72.15 112.364 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 32.5 m80 -116.11 162.55 17.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 71.01 110.877 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 63.7 m -101.05 45.54 0.97 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 75.04 110.837 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.2 tppt? -113.31 130.88 56.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 74.04 110.907 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.8 ptmt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 71.13 110.917 179.845 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 17.6 p . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.88 0.371 . . . . 53.11 110.876 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.443 ' HB1' ' HB2' ' A' ' 52' ' ' GLU . . . -87.01 110.29 19.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 50.41 111.115 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.58 170.3 14.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 62.22 110.914 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -50.63 127.33 17.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 75.45 110.834 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 100.3 -28.27 16.55 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.765 -0.731 . . . . 64.22 112.496 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.443 ' HB2' ' HB1' ' A' ' 48' ' ' ALA . 36.2 mm-40 -63.92 148.28 49.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.87 0.367 . . . . 51.55 110.872 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 16.5 t -82.09 153.74 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 71.12 111.145 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 9.7 m -115.29 178.35 4.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 60.41 110.889 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 92.42 -39.16 3.04 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.736 -0.745 . . . . 53.52 112.466 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 80.4 m95 -85.09 52.67 2.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.758 0.313 . . . . 70.21 110.945 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 63.06 28.9 72.87 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.75 -0.738 . . . . 72.05 112.533 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.15 116.61 27.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.93 0.395 . . . . 74.55 110.827 -179.693 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -107.19 124.19 49.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 72.15 110.874 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 70.7 m -51.31 137.46 23.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 73.14 110.918 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 59.2 m -51.27 162.19 0.35 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 63.44 110.853 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 15.3 t-80 -52.95 112.53 0.87 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 62.54 110.822 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 109.22 -23.2 23.54 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.724 -0.751 . . . . 73.31 112.481 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.469 HD23 ' HA ' ' A' ' 76' ' ' LYS . 26.0 mt -97.86 154.01 17.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.853 0.359 . . . . 73.2 110.878 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -157.49 152.85 26.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 74.41 110.892 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 4.3 p -118.22 152.72 50.99 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.688 0.756 . . . . 63.44 110.839 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 169.11 19.67 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.714 2.276 . . . . 72.22 112.338 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 22.5 mt -96.18 104.76 16.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.447 . . . . 74.51 110.908 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -165.69 -173.81 2.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.169 -0.469 . . . . 62.23 111.099 179.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -56.4 -67.07 0.33 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 73.42 110.859 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.453 HG22 ' CE1' ' A' ' 73' ' ' TYR . 18.9 mm -112.6 80.32 3.61 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.63 0.729 . . . . 75.34 111.124 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 163.69 37.29 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.671 2.247 . . . . 63.15 112.321 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.453 ' CE1' HG22 ' A' ' 71' ' ' ILE . 48.3 m-85 -144.94 130.25 18.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 74.54 110.945 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 68.0 m -60.4 135.07 57.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 55.11 110.892 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -145.19 155.43 43.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 74.34 110.869 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.469 ' HA ' HD23 ' A' ' 64' ' ' LEU . 50.2 mmtt -51.54 118.59 3.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 61.02 110.866 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 3.1 t80 . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.245 -0.434 . . . . 71.45 110.881 -179.931 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 28.9 p . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.877 0.37 . . . . 71.53 110.872 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -102.15 131.31 48.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 73.42 111.109 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.77 168.47 1.22 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 71.41 110.929 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 59.6 tt0 -68.25 123.26 20.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 74.44 110.892 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.99 -28.74 14.51 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.703 -0.76 . . . . 62.23 112.444 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -71.27 160.87 32.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.886 0.374 . . . . 75.3 110.897 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 t -73.28 149.91 8.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 64.25 111.175 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 20.2 p -122.78 143.24 49.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 63.34 110.861 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.9 p -129.01 -174.75 3.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 72.11 110.876 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 20.8 t90 -57.59 -38.49 74.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 74.11 110.902 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -92.87 -24.77 22.12 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.749 -0.739 . . . . 74.44 112.504 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.51 106.78 17.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.827 0.346 . . . . 71.13 110.902 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.34 145.81 32.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 72.13 110.904 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 73.7 m -55.8 135.34 51.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 54.21 110.882 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 63.3 m -52.43 -36.23 53.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 64.4 110.893 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -115.25 103.63 11.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 73.21 110.902 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 56.8 mt -81.88 -36.26 28.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 71.1 110.909 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -62.14 -36.27 81.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.199 -0.455 . . . . 73.23 110.834 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -97.03 -56.51 2.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 74.32 110.89 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -95.64 163.24 13.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 64.32 110.895 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 9.8 p90 -161.09 176.62 11.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 72.34 110.925 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 82.9 m -108.75 87.49 4.48 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.65 0.738 . . . . 65.24 110.927 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 165.48 30.8 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.688 2.259 . . . . 71.55 112.35 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 12.3 mtp -85.94 105.75 16.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 73.14 110.903 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -163.29 175.45 10.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 73.52 110.875 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -52.09 -56.92 11.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 72.02 110.846 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.407 ' HA ' ' HD2' ' A' ' 30' ' ' PRO . 3.9 mp -123.79 102.15 35.49 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.597 0.713 . . . . 54.32 111.14 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 29' ' ' ILE . 54.3 Cg_endo -69.71 121.28 7.99 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.697 2.265 . . . . 74.33 112.336 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 31.1 m80 -113.67 168.14 10.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 71.23 110.861 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 47.1 m -100.03 64.32 1.22 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 63.13 110.894 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.3 tppt? -113.41 160.14 18.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 73.3 110.928 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.2 ptpt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 72.31 110.895 179.869 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 17.6 p . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.815 0.341 . . . . 75.22 110.9 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -77.74 110.5 12.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 31.5 111.118 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.4 167.57 20.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 63.04 110.873 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -51.88 127.89 22.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 64.2 110.919 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 103.04 -30.04 11.23 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.749 -0.739 . . . . 63.43 112.474 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -62.38 154.8 27.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.924 0.392 . . . . 65.51 110.876 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 22.0 t -90.18 149.69 3.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 65.31 111.139 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 29.1 m -116.56 146.65 42.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 65.31 110.929 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 152.77 -33.49 0.81 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.718 -0.753 . . . . 75.14 112.48 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 77.3 m95 -91.41 45.98 1.27 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.802 0.334 . . . . 74.1 110.909 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 64.12 32.68 85.01 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.797 -0.716 . . . . 42.53 112.478 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -108.8 116.6 32.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.906 0.384 . . . . 75.0 110.899 -179.766 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.8 mmmm -98.78 131.4 44.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 74.51 110.922 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 73.7 m -54.55 153.38 5.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 63.22 110.901 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 20.4 m -67.77 167.22 13.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.472 . . . . 71.12 110.849 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 6.1 p-80 -51.93 128.63 24.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 71.54 110.875 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 95.55 -23.46 33.76 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.679 -0.772 . . . . 71.43 112.498 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.441 HD23 ' HA ' ' A' ' 76' ' ' LYS . 23.4 mt -100.53 160.15 14.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.809 0.337 . . . . 74.04 110.902 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -152.73 158.65 42.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 75.1 110.849 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -115.22 130.84 23.92 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.589 0.709 . . . . 70.52 110.862 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 166.95 25.83 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.653 2.235 . . . . 74.41 112.338 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -97.01 95.41 7.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 51.53 110.906 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -159.73 -175.16 4.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 62.13 111.117 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -52.73 -64.74 0.72 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 74.5 110.871 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 4.1 mp -127.72 82.65 67.94 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.629 0.728 . . . . 73.11 111.147 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 169.66 18.48 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.653 2.235 . . . . 71.22 112.329 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 42.4 m-85 -143.46 130.76 20.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 72.22 110.968 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 55.6 m -51.75 136.32 27.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 55.11 110.877 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -156.23 146.54 21.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 73.05 110.929 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.441 ' HA ' HD23 ' A' ' 64' ' ' LEU . 8.2 mmmm -51.3 119.21 3.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.174 -0.466 . . . . 72.33 110.898 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 61.5 t80 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 74.43 110.887 -179.919 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 31.8 p . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.857 0.361 . . . . 73.15 110.884 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -83.72 122.28 28.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 63.21 111.11 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.7 mmmt -58.68 169.35 0.97 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 74.13 110.929 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 53.5 tt0 -59.2 118.43 5.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 51.35 110.89 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.05 -28.73 9.88 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.759 -0.734 . . . . 73.33 112.449 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -62.41 144.51 55.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.913 0.387 . . . . 65.34 110.887 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.544 HG22 ' HD2' ' A' ' 31' ' ' HIS . 21.9 t -63.0 145.08 13.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 72.54 111.115 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 20.0 p -121.07 137.49 54.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.467 . . . . 74.21 110.9 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 86.1 p -120.96 -172.65 2.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 73.05 110.876 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 68.4 t90 -57.19 -36.85 71.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 71.33 110.901 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -94.01 -24.88 18.63 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.768 -0.73 . . . . 52.03 112.527 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.73 106.52 17.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.782 0.325 . . . . 75.34 110.884 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? -107.45 145.55 32.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.265 -0.425 . . . . 60.41 110.914 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 68.4 m -56.94 130.81 47.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 74.4 110.919 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -52.14 -40.46 61.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 65.2 110.884 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -110.74 98.05 7.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 75.0 110.866 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 58.7 mt -76.69 -35.14 58.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 73.42 110.886 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -59.72 -35.7 75.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 72.13 110.834 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -96.64 -59.83 1.73 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 72.41 110.894 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -94.64 162.52 13.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 61.21 110.904 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 4.3 p90 -163.67 165.19 23.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.187 -0.461 . . . . 73.44 110.936 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 27.3 m -108.39 89.75 6.29 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.621 0.724 . . . . 70.51 110.859 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 165.42 31.11 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.615 2.21 . . . . 73.12 112.358 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 30.9 ttm -73.3 106.04 4.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 65.33 110.921 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -163.34 173.39 13.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.26 -0.427 . . . . 73.22 110.85 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -51.87 -57.03 10.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 74.31 110.894 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.4 mp -123.93 102.1 35.06 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.595 0.712 . . . . 64.1 111.107 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 121.75 8.43 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.67 2.246 . . . . 73.32 112.331 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.544 ' HD2' HG22 ' A' ' 9' ' ' VAL . 22.4 m80 -115.02 177.81 4.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 71.05 110.878 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 63.5 m -104.06 72.13 1.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 75.42 110.922 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 31.4 ttmt -113.36 137.21 51.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 62.51 110.894 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 16.9 ttmt . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 72.04 110.925 179.822 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 12.5 p . . . . . 0 N--CA 1.458 -0.068 0 CA-C-O 120.83 0.348 . . . . 65.31 110.898 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -76.52 112.15 12.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 40.01 111.088 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.4 pttp -75.37 167.55 21.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 73.2 110.867 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -51.71 128.9 24.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 73.34 110.916 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 102.53 -29.88 11.57 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.775 -0.726 . . . . 70.35 112.497 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -63.98 155.37 31.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.917 0.389 . . . . 72.31 110.856 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.6 t -90.93 150.31 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 72.1 111.129 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 33.1 m -116.16 144.59 43.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 61.15 110.837 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 153.42 -33.62 0.77 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.713 -0.756 . . . . 45.11 112.469 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 71.1 m95 -91.58 45.81 1.25 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.791 0.329 . . . . 72.42 110.925 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 64.52 32.62 84.8 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.729 -0.748 . . . . 72.25 112.491 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -109.83 116.74 32.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.9 0.381 . . . . 74.14 110.891 -179.742 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.9 mmmm -99.32 134.07 42.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 62.05 110.862 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 72.0 m -57.51 151.58 16.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 65.55 110.897 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 28.1 m -66.36 170.1 6.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 52.2 110.893 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 8.1 t-160 -55.06 127.87 31.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 72.32 110.86 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 97.11 -23.29 36.38 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.763 -0.732 . . . . 51.25 112.477 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 76' ' ' LYS . 28.9 mt -100.65 160.4 14.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.771 0.32 . . . . 73.32 110.952 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -151.37 160.87 43.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.443 . . . . 61.43 110.88 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -119.28 129.03 25.61 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.603 0.716 . . . . 64.33 110.871 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 166.48 27.42 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.712 2.275 . . . . 61.44 112.333 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 8.8 mp -97.46 95.31 7.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 72.42 110.939 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -158.45 -174.63 4.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 73.33 111.107 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -51.79 -64.31 0.85 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 74.23 110.891 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 4.1 mp -129.99 83.11 64.61 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.626 0.727 . . . . 75.51 111.115 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 169.65 18.43 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.673 2.249 . . . . 52.44 112.331 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 41.5 m-85 -143.67 131.06 20.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 74.25 110.932 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 56.1 m -51.7 135.57 28.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.07 -0.513 . . . . 65.05 110.917 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 20.6 pt-20 -155.49 148.63 24.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 74.45 110.854 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.427 ' HA ' HD23 ' A' ' 64' ' ' LEU . 30.3 mmtp -51.81 118.96 3.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 75.12 110.913 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 6.5 t80 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 65.34 110.871 -179.891 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 21.1 p . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.847 0.356 . . . . 71.3 110.891 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -93.32 136.79 33.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 74.1 111.137 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.8 ttmt -59.98 171.97 0.86 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.268 -0.424 . . . . 72.11 110.95 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 65.4 tt0 -62.8 117.67 6.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 75.04 110.892 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.76 -28.66 10.73 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.774 -0.727 . . . . 71.33 112.482 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -55.05 160.68 1.96 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.887 0.375 . . . . 72.24 110.854 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.457 HG13 ' O ' ' A' ' 30' ' ' PRO . 21.6 t -74.94 150.16 7.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.49 . . . . 61.32 111.13 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.1 p -121.12 142.15 50.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 72.42 110.876 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 77.5 p -128.76 -173.62 3.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 60.25 110.886 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 68.9 p-90 -59.58 -35.74 74.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 73.43 110.887 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -95.79 -24.86 14.34 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.764 -0.732 . . . . 14.13 112.481 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.5 tppt? -103.64 113.55 27.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.857 0.361 . . . . 62.12 110.892 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.41 164.53 12.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 75.12 110.95 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 51.2 m -86.41 122.2 30.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.433 . . . . 75.11 110.93 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -52.14 -36.24 50.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 75.51 110.91 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -102.88 88.72 3.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 72.3 110.871 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 63.3 mt -80.5 -36.07 33.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 75.35 110.91 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -63.83 -36.08 82.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 74.22 110.877 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -95.03 -58.82 2.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 73.14 110.862 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -94.77 168.02 11.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 73.44 110.872 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -157.72 176.73 12.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.197 -0.456 . . . . 73.41 110.957 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 63.5 m -108.46 88.73 5.29 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.64 0.733 . . . . 64.12 110.886 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 143.28 50.68 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.673 2.249 . . . . 73.01 112.358 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -74.45 104.43 5.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 73.23 110.844 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -163.38 177.17 9.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 74.41 110.874 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.477 ' HB2' HD12 ' A' ' 29' ' ' ILE . 51.3 m-85 -52.01 -57.03 10.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.473 . . . . 73.52 110.866 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.477 HD12 ' HB2' ' A' ' 28' ' ' PHE . 3.9 mp -123.82 102.13 35.4 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.601 0.715 . . . . 62.2 111.16 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.457 ' O ' HG13 ' A' ' 9' ' ' VAL . 54.0 Cg_endo -69.73 146.99 62.04 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.689 2.259 . . . . 55.2 112.358 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 36.3 m80 -142.31 139.89 31.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.26 -0.427 . . . . 73.43 110.861 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 80.5 m -76.67 67.11 2.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 71.23 110.871 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.6 ptpt -115.78 169.92 8.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 75.22 110.876 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.2 mmmt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 43.24 110.857 179.891 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 20.3 p . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.856 0.36 . . . . 64.05 110.885 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.0 111.58 15.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 74.44 111.119 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 25.4 mmtp -74.96 169.13 18.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 73.31 110.873 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -51.79 129.37 26.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 73.04 110.886 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 101.12 -29.98 11.36 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.695 -0.764 . . . . 71.34 112.479 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -62.74 155.1 27.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.946 0.403 . . . . 65.11 110.851 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.421 HG22 ' CE1' ' A' ' 73' ' ' TYR . 21.2 t -92.18 150.55 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 73.31 111.103 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 28.0 m -116.12 144.15 44.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 64.53 110.85 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 155.02 -33.37 0.66 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.692 -0.766 . . . . 61.15 112.462 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 76.8 m95 -91.68 46.08 1.26 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.804 0.335 . . . . 62.11 110.95 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 63.62 32.77 85.3 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.779 -0.724 . . . . 64.11 112.481 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -110.12 117.3 33.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.911 0.386 . . . . 74.13 110.863 -179.762 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.8 mmmm -98.64 136.41 38.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 71.42 110.906 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 73.0 m -58.78 152.52 18.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 73.13 110.908 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 19.5 m -68.26 168.81 11.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 62.01 110.919 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 36.3 m80 -54.27 126.73 24.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 71.22 110.884 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 98.97 -23.27 37.09 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.736 -0.745 . . . . 74.31 112.496 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.497 HD23 ' N ' ' A' ' 76' ' ' LYS . 17.0 mt -101.6 160.27 14.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.807 0.337 . . . . 73.11 110.93 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -150.16 159.06 44.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 74.43 110.908 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -118.39 127.9 26.3 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.622 0.725 . . . . 42.33 110.831 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 166.59 27.09 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.699 2.266 . . . . 55.11 112.35 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 54.5 mt -97.56 95.33 7.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 62.01 110.882 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -157.71 -174.77 5.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 75.02 111.091 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -51.85 -62.9 1.34 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 64.44 110.867 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 4.1 mp -131.8 83.08 58.45 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.714 0.769 . . . . 64.45 111.15 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 169.74 18.18 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.714 2.276 . . . . 53.1 112.303 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.421 ' CE1' HG22 ' A' ' 53' ' ' VAL . 45.2 m-85 -143.66 130.77 20.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 63.51 110.926 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 56.5 m -51.73 135.2 29.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 72.22 110.887 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -155.05 147.19 23.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 51.32 110.87 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.497 ' N ' HD23 ' A' ' 64' ' ' LEU . 7.9 mmmm -51.59 118.94 3.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 61.02 110.922 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 6.3 t80 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 73.44 110.94 -179.95 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 17.7 p . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.889 0.376 . . . . 61.33 110.861 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -104.36 126.77 51.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 65.31 111.122 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.5 mtmt -58.18 168.96 0.9 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 65.12 110.882 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 77.1 tt0 -64.34 140.5 58.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 74.11 110.934 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.55 -28.64 9.65 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.752 -0.737 . . . . 74.54 112.438 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -77.25 161.05 28.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.916 0.388 . . . . 65.24 110.9 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.1 t -82.47 150.84 4.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.113 -0.494 . . . . 45.14 111.161 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 17.4 p -108.43 142.64 38.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 75.4 110.915 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 66.2 p -121.47 -170.08 1.97 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 74.45 110.827 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 19.9 t90 -68.28 -38.27 81.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.48 . . . . 75.12 110.912 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -94.99 -24.98 15.52 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.755 -0.736 . . . . 64.51 112.47 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.8 ttpt -103.78 113.53 27.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.832 0.349 . . . . 61.25 110.913 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.38 169.34 8.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 73.4 110.9 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.599 ' HB3' HD23 ' A' ' 19' ' ' LEU . 2.7 t -76.94 142.2 40.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 62.33 110.853 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 22.6 m -67.28 -36.12 80.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 71.33 110.878 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -116.76 73.34 0.86 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 75.0 110.868 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.599 HD23 ' HB3' ' A' ' 16' ' ' CYS . 86.3 mt -65.09 -31.72 73.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 63.33 110.864 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -59.21 -34.41 72.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.439 . . . . 74.55 110.818 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -97.77 -59.19 1.82 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.441 . . . . 64.54 110.927 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -94.34 160.99 14.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 41.4 110.898 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 8.5 p90 -152.09 175.11 12.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 73.51 110.902 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 84.9 m -108.85 88.2 5.21 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.628 0.728 . . . . 74.05 110.851 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 156.31 63.61 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.663 2.242 . . . . 73.41 112.336 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 24.0 mmt -65.61 101.59 0.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 73.53 110.899 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -163.41 168.63 20.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 71.42 110.893 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.444 ' HB2' HD12 ' A' ' 29' ' ' ILE . 91.7 m-85 -51.7 -57.08 10.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 74.0 110.888 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.444 HD12 ' HB2' ' A' ' 28' ' ' PHE . 3.8 mp -124.03 101.96 34.91 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.58 0.705 . . . . 75.14 111.157 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 120.84 7.56 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.661 2.241 . . . . 75.21 112.359 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 26.7 m80 -113.53 147.27 38.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 73.1 110.863 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 33.8 m -74.76 73.26 2.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 70.34 110.9 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt -113.37 148.39 35.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 75.1 110.927 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.3 ttpt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 72.42 110.913 179.881 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 17.3 p . . . . . 0 N--CA 1.458 -0.073 0 CA-C-O 120.812 0.339 . . . . 73.51 110.887 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -83.32 112.74 20.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 72.44 111.102 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 33.4 mtmm -76.42 165.39 24.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 65.11 110.885 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.5 tm-20 -50.23 122.76 7.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 74.43 110.876 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 109.6 -29.65 9.26 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.708 -0.758 . . . . 51.24 112.502 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -64.27 148.95 49.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.902 0.382 . . . . 70.31 110.848 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.448 HG11 HG23 ' A' ' 71' ' ' ILE . 24.1 t -82.35 149.43 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 65.44 111.17 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 14.4 m -122.42 151.74 40.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 70.41 110.917 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 144.18 -59.12 0.52 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.721 -0.752 . . . . 34.35 112.492 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 6.0 m-90 -77.03 61.44 2.0 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.777 0.322 . . . . 73.5 110.908 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 63.37 32.66 84.91 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.762 -0.732 . . . . 73.03 112.503 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -115.91 126.68 54.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.983 0.421 . . . . 74.43 110.874 -179.771 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.56 158.15 27.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 75.05 110.896 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 67.4 m -84.26 159.67 20.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 74.23 110.904 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 17.8 m -69.46 169.96 11.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 73.33 110.868 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 13.9 p80 -56.8 116.83 3.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 64.23 110.889 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 109.37 -23.44 22.69 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.724 -0.75 . . . . 64.32 112.45 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.416 HD23 ' N ' ' A' ' 76' ' ' LYS . 9.6 mt -102.4 157.67 16.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.842 0.353 . . . . 64.12 110.942 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -148.45 162.31 39.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 73.02 110.904 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -115.02 140.23 25.31 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.607 0.718 . . . . 40.41 110.896 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 167.85 23.24 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.652 2.235 . . . . 60.01 112.352 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 82.0 mt -96.6 95.2 7.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 73.33 110.889 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -163.47 -174.73 3.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 73.2 111.108 179.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -56.37 -66.43 0.44 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 72.14 110.896 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.448 HG23 HG11 ' A' ' 53' ' ' VAL . 3.5 mp -119.37 82.03 23.52 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.666 0.746 . . . . 72.05 111.125 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 170.08 17.39 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.671 2.247 . . . . 71.24 112.368 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -143.88 130.91 20.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 63.42 110.903 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 55.5 m -51.26 142.56 12.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 45.3 110.848 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -160.84 147.24 15.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 63.22 110.847 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.416 ' N ' HD23 ' A' ' 64' ' ' LEU . 66.3 mmtt -50.99 118.76 3.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 73.32 110.936 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 2.3 t80 . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.219 -0.446 . . . . 72.12 110.917 -179.97 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 27.5 p . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.911 0.386 . . . . 75.44 110.853 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -97.52 147.35 24.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 73.24 111.083 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.33 175.37 10.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 71.54 110.915 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 52.0 tt0 -63.92 129.91 41.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 72.32 110.937 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.51 -28.68 9.52 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.694 -0.765 . . . . 63.23 112.492 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -66.28 159.19 27.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.924 0.392 . . . . 30.3 110.878 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 23.3 t -79.63 149.61 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 75.45 111.121 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 17.2 p -113.11 143.09 44.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 52.33 110.845 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 61.9 p -135.63 177.89 7.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 73.1 110.894 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 66.4 p-90 -55.63 -35.26 65.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.182 -0.463 . . . . 73.53 110.866 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -95.85 -24.87 14.2 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.749 -0.738 . . . . 54.21 112.467 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.69 106.68 17.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.859 0.361 . . . . 64.13 110.904 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -106.93 133.3 51.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 74.44 110.864 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -52.18 140.22 21.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 51.23 110.873 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 41.2 m -57.78 -35.53 70.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 64.24 110.915 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -117.8 79.14 1.32 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 63.51 110.87 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 95.9 mt -71.61 -34.3 69.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 73.35 110.935 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -57.82 -35.56 71.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 70.41 110.851 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -92.85 -58.27 2.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 73.55 110.887 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -94.45 144.17 25.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 74.53 110.889 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 6.6 p90 -128.49 176.01 8.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 73.03 110.871 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 89.3 m -114.7 91.54 25.91 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.632 0.73 . . . . 74.31 110.854 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 145.69 58.17 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.705 2.27 . . . . 72.23 112.361 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 5.8 tpt -65.04 107.25 1.46 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 71.01 110.903 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -163.63 172.45 14.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.2 -0.454 . . . . 73.53 110.891 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.462 ' HB2' HD12 ' A' ' 29' ' ' ILE . 92.1 m-85 -51.21 -57.4 8.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 71.41 110.844 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.462 HD12 ' HB2' ' A' ' 28' ' ' PHE . 2.9 mp -124.16 102.18 34.25 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.644 0.735 . . . . 63.43 111.141 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 126.79 13.72 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.688 2.258 . . . . 73.2 112.344 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 26.1 m80 -122.04 156.36 33.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 70.33 110.876 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 34.1 m -87.21 71.33 10.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 70.21 110.879 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.2 ttmt -115.02 130.8 57.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 75.42 110.957 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 24.8 ttmt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 50.32 110.891 179.887 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 21.3 p . . . . . 0 N--CA 1.457 -0.088 0 CA-C-O 120.856 0.36 . . . . 53.14 110.867 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -77.81 112.8 15.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 65.32 111.132 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.5 ptmt -76.4 167.19 22.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 73.53 110.899 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 63.1 tt0 -51.59 128.2 22.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 70.12 110.867 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 103.26 -29.8 11.66 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.736 -0.745 . . . . 64.44 112.482 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -64.27 155.7 31.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.861 0.362 . . . . 54.14 110.916 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.8 t -90.54 149.93 3.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 71.54 111.124 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 34.3 m -116.35 143.81 45.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 73.34 110.861 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 151.97 -33.66 0.87 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.757 -0.735 . . . . 70.2 112.493 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 86.1 m95 -90.84 46.92 1.36 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.781 0.324 . . . . 62.22 110.892 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 64.07 32.66 84.94 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.739 -0.744 . . . . 63.1 112.442 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.65 119.54 39.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.889 0.376 . . . . 74.01 110.874 -179.755 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.5 mmmm -102.55 135.63 43.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.467 . . . . 75.31 110.905 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 72.0 m -58.85 152.61 18.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 74.52 110.82 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 20.2 m -68.16 167.18 14.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 72.54 110.867 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 41.0 m80 -51.85 128.84 25.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.463 . . . . 72.34 110.88 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 96.14 -23.19 35.75 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.774 -0.727 . . . . 71.22 112.502 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.462 HD23 ' HA ' ' A' ' 76' ' ' LYS . 20.1 mt -102.22 160.45 14.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.801 0.334 . . . . 75.11 110.932 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -153.48 159.97 42.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 73.42 110.843 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -116.21 131.5 23.76 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.654 0.74 . . . . 63.23 110.854 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 167.01 25.78 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.631 2.221 . . . . 52.41 112.35 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -97.18 95.35 7.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 61.43 110.944 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -159.59 -174.49 4.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 50.33 111.127 179.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -52.19 -65.77 0.5 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 71.11 110.885 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 4.0 mp -127.75 83.0 67.27 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.631 0.729 . . . . 41.32 111.131 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 169.8 17.98 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.659 2.239 . . . . 65.43 112.389 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -143.79 131.24 21.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 71.12 110.926 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 56.0 m -51.43 137.01 24.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 75.34 110.871 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -157.18 146.55 20.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.485 . . . . 72.5 110.885 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.462 ' HA ' HD23 ' A' ' 64' ' ' LEU . 2.9 mmmp? -51.62 118.8 3.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 63.51 110.923 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 18.4 t80 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 74.44 110.973 -179.943 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 30.3 p . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.838 0.351 . . . . 65.02 110.851 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -99.47 114.4 27.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 64.23 111.108 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.9 tttm -58.2 173.88 0.32 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 74.21 110.884 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 70.8 tt0 -58.54 125.27 22.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 64.24 110.895 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.72 -28.8 9.44 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.709 -0.758 . . . . 73.04 112.467 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -59.54 161.03 6.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.838 0.351 . . . . 64.1 110.937 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 90.5 t -79.18 144.34 11.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 63.32 111.144 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 22.7 p -117.78 137.63 52.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 63.15 110.886 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 93.7 p -140.45 -170.03 2.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 61.51 110.845 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 69.9 p-90 -64.19 -35.53 81.1 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.105 -0.498 . . . . 74.25 110.925 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -93.02 -24.88 21.47 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.687 -0.768 . . . . 60.24 112.481 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.0 tppt? -103.76 114.05 28.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.861 0.362 . . . . 61.54 110.889 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.23 129.84 48.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 71.33 110.873 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.589 ' HB3' HD23 ' A' ' 19' ' ' LEU . 2.6 t -58.04 136.34 57.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 71.45 110.92 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 40.5 m -58.16 -36.06 72.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 75.34 110.91 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -120.15 77.22 1.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 72.52 110.869 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.589 HD23 ' HB3' ' A' ' 16' ' ' CYS . 82.7 mt -67.19 -34.7 78.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 54.22 110.96 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -58.37 -35.91 72.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 75.15 110.877 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.6 m-80 -92.79 -58.61 2.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 74.2 110.861 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -94.49 146.08 24.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 64.42 110.853 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 19.7 p90 -124.35 170.8 10.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.488 . . . . 74.32 110.924 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -109.15 87.41 4.8 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.61 0.719 . . . . 54.32 110.903 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 167.2 25.11 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.706 2.271 . . . . 64.42 112.32 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 4.8 tpt -95.7 106.64 18.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 74.21 110.902 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -163.39 177.2 9.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 54.21 110.875 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.441 ' HB2' HD12 ' A' ' 29' ' ' ILE . 97.4 m-85 -51.59 -57.03 10.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 75.32 110.857 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.441 HD12 ' HB2' ' A' ' 28' ' ' PHE . 3.4 mp -123.92 102.29 34.9 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.618 0.723 . . . . 72.31 111.115 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 138.84 38.79 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.673 2.249 . . . . 73.41 112.369 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 35.6 m80 -134.82 165.79 24.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 71.43 110.849 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 34.1 m -100.39 81.08 2.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 74.42 110.905 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 43.4 mmtt -113.33 145.94 40.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.458 . . . . 71.25 110.93 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.3 ptpt . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 63.14 110.873 179.881 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 18.0 p . . . . . 0 N--CA 1.457 -0.085 0 CA-C-O 120.858 0.361 . . . . 70.43 110.878 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.01 112.67 17.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 74.04 111.095 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.6 ptmm? -76.55 168.89 19.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 61.25 110.867 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -51.71 125.8 15.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 75.2 110.923 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 104.7 -29.65 11.46 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.771 -0.728 . . . . 71.34 112.505 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -63.12 153.87 32.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.878 0.371 . . . . 64.31 110.853 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 22.0 t -89.61 149.84 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 54.54 111.093 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 28.1 m -116.49 159.49 21.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 71.45 110.852 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 124.86 -33.32 3.75 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.729 -0.748 . . . . 71.13 112.489 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 43.5 m95 -98.3 56.21 1.16 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.723 0.297 . . . . 74.35 110.881 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 63.71 32.78 85.31 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.728 -0.749 . . . . 63.3 112.451 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -116.95 116.44 27.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.894 0.378 . . . . 73.12 110.824 -179.712 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -108.08 130.43 55.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 63.44 110.858 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 82.3 m -57.84 151.34 18.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 73.23 110.85 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.44 ' HB2' HD12 ' A' ' 64' ' ' LEU . 20.7 m -71.2 170.51 12.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 74.4 110.853 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.7 t-160 -55.16 125.01 18.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 74.24 110.886 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 100.05 -23.17 37.01 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.759 -0.734 . . . . 41.33 112.521 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.576 HD23 ' N ' ' A' ' 76' ' ' LYS . 11.2 mt -99.56 160.49 14.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.759 0.314 . . . . 72.21 110.955 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -151.56 159.41 44.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.46 . . . . 71.45 110.848 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -117.2 131.5 23.98 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.61 0.719 . . . . 61.45 110.942 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 166.94 25.84 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.695 2.263 . . . . 70.35 112.326 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 8.8 mp -97.04 95.18 7.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 53.24 110.898 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -159.71 -174.72 4.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 70.23 111.094 179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 43.7 m-85 -52.38 -65.9 0.48 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 75.11 110.88 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 4.0 mp -127.03 82.92 67.23 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.659 0.742 . . . . 65.3 111.159 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 169.82 17.98 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.708 2.272 . . . . 74.42 112.318 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -143.32 132.21 22.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 72.12 110.916 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 55.7 m -51.64 140.2 19.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 64.43 110.897 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -158.48 141.63 14.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 72.13 110.927 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.576 ' N ' HD23 ' A' ' 64' ' ' LEU . 24.8 mmtp -51.27 118.97 3.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.454 . . . . 72.12 110.885 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 16.7 t80 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 73.44 110.913 -179.978 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 28.2 p . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.875 0.369 . . . . 72.15 110.869 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -105.56 119.28 38.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 74.35 111.084 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.84 174.98 0.22 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 73.44 110.933 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -70.27 137.24 50.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 72.21 110.885 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.64 -28.62 9.77 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.746 -0.74 . . . . 72.14 112.525 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -73.43 161.03 30.89 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.891 0.377 . . . . 70.24 110.878 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.4 t -78.13 150.17 5.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 52.44 111.117 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 20.4 p -112.4 143.17 43.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 44.12 110.868 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 66.8 p -134.68 -173.91 3.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 75.21 110.83 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 51.5 t90 -67.62 -40.47 84.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.131 -0.486 . . . . 54.34 110.898 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -86.62 -24.9 37.28 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.78 -0.724 . . . . 65.35 112.471 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.7 tppt? -103.59 114.24 28.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.8 0.333 . . . . 75.21 110.904 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? -105.6 127.65 53.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 73.3 110.886 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.476 ' HB3' HD23 ' A' ' 19' ' ' LEU . 1.9 t -51.63 141.28 16.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 62.3 110.897 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 37.6 m -59.68 -36.05 75.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 55.12 110.862 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -119.49 76.57 1.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 73.42 110.841 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.476 HD23 ' HB3' ' A' ' 16' ' ' CYS . 94.5 mt -67.45 -35.67 79.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.456 . . . . 75.4 110.906 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -57.74 -36.05 71.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 43.32 110.885 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.3 m-20 -91.92 -58.33 2.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 71.24 110.862 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -94.59 142.75 27.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 74.12 110.88 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 10.2 p90 -130.17 176.46 8.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.469 . . . . 54.42 110.899 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 85.1 m -108.77 87.85 4.82 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.612 0.72 . . . . 74.3 110.889 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 165.69 30.11 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.665 2.244 . . . . 72.1 112.354 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 33.8 mmt -82.45 103.01 11.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 73.03 110.856 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 21.2 pt-20 -163.35 172.13 15.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 71.43 110.857 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.456 ' HB2' HD12 ' A' ' 29' ' ' ILE . 78.7 m-85 -51.95 -57.3 9.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 74.12 110.85 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.456 HD12 ' HB2' ' A' ' 28' ' ' PHE . 3.8 mp -123.88 102.14 35.19 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.617 0.722 . . . . 71.21 111.118 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 121.51 8.19 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.666 2.244 . . . . 75.13 112.373 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 23.6 m80 -114.59 157.73 22.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 73.3 110.86 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 34.6 m -84.89 75.63 10.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 63.4 110.876 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -113.4 147.19 38.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 64.32 110.915 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 75.23 110.9 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 18.1 p . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.861 0.362 . . . . 73.2 110.905 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.3 113.31 17.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 64.11 111.117 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -76.66 168.29 20.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 72.34 110.853 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -51.63 127.58 20.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 73.4 110.88 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 103.71 -29.92 11.27 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.688 -0.768 . . . . 41.13 112.473 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -63.85 154.93 32.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.916 0.388 . . . . 72.21 110.872 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.8 t -90.07 150.13 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 43.34 111.142 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 26.9 m -116.78 153.75 31.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 73.02 110.883 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 131.74 -33.34 2.75 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.73 -0.748 . . . . 44.53 112.456 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 11.8 m95 -97.36 55.69 1.29 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.871 0.367 . . . . 70.52 110.933 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 63.52 32.6 84.71 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.711 -0.757 . . . . 72.52 112.56 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.02 116.47 27.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.916 0.388 . . . . 73.42 110.857 -179.726 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -107.82 132.47 53.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 72.24 110.903 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 75.8 m -58.36 151.26 20.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 62.53 110.876 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 17.3 m -70.03 170.73 10.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 70.02 110.844 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 7.3 m170 -56.15 124.97 19.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 74.44 110.867 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 101.11 -23.39 35.65 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.7 -0.762 . . . . 44.35 112.458 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.486 HD23 ' N ' ' A' ' 76' ' ' LYS . 13.1 mt -101.57 160.04 14.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.85 0.357 . . . . 74.5 110.86 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -150.36 160.9 43.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 72.32 110.832 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -117.29 132.07 23.71 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.607 0.718 . . . . 70.41 110.875 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 166.99 25.79 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.707 2.271 . . . . 74.43 112.329 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 8.8 mp -97.46 95.39 7.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 75.24 110.905 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -159.15 -174.63 4.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 73.02 111.079 179.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -52.92 -63.86 1.01 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 71.12 110.89 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 4.1 mp -128.97 82.74 68.12 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.657 0.741 . . . . 54.33 111.153 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.65 169.73 18.1 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.695 2.263 . . . . 73.23 112.396 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -143.45 132.13 22.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 63.24 110.916 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 54.9 m -51.6 136.48 26.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 64.21 110.882 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -156.23 145.87 20.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 72.21 110.885 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.486 ' N ' HD23 ' A' ' 64' ' ' LEU . 22.1 mmtp -51.17 118.95 3.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 75.42 110.927 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 36.4 t80 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 72.31 110.906 -179.937 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.6 p . . . . . 0 C--O 1.23 0.047 0 CA-C-O 120.867 0.365 . . . . 42.42 110.856 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -74.94 135.66 41.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 64.23 111.104 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 16.4 mtmm -58.2 171.62 0.54 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 73.24 110.86 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 63.8 tt0 -64.21 121.87 15.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 61.0 110.847 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.65 -28.71 9.59 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.761 -0.733 . . . . 30.41 112.497 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -62.64 152.67 34.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.888 0.375 . . . . 65.42 110.928 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 58.6 t -66.19 142.51 16.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 55.31 111.163 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 8.8 p -120.55 137.45 54.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 73.11 110.859 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 89.4 p -111.86 -170.2 1.61 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 73.34 110.89 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 7.8 t90 -64.07 -37.52 87.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 74.12 110.91 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -91.69 -24.83 24.64 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.759 -0.734 . . . . 74.21 112.493 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.8 tttt -103.76 113.81 27.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.825 0.345 . . . . 72.21 110.897 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.6 164.21 12.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 73.42 110.851 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 59.6 m -73.45 132.75 43.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 73.32 110.896 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 79.4 m -52.1 -36.14 50.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 72.2 110.889 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 -112.56 97.05 6.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 74.31 110.882 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 70.8 mt -79.46 -35.87 39.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 73.22 110.915 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -59.18 -36.09 74.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 50.24 110.855 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 60.0 m-80 -98.83 -59.87 1.65 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 61.43 110.878 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -94.7 170.81 9.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 70.2 110.89 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 6.1 p90 -162.1 172.53 15.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 64.42 110.875 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -108.89 88.6 5.6 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.633 0.73 . . . . 73.44 110.918 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 159.84 51.93 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.668 2.245 . . . . 55.55 112.335 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 42.6 tpp -91.29 105.53 17.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 73.23 110.882 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -163.39 -178.7 6.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 70.44 110.903 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -51.39 -53.74 33.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 75.44 110.878 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.7 mp -123.92 102.1 35.12 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.6 0.714 . . . . 61.01 111.1 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 121.62 8.3 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.622 2.215 . . . . 70.42 112.333 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 34.3 m80 -115.02 169.13 9.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 75.14 110.848 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 34.6 m -107.2 63.45 0.63 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 63.32 110.882 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.32 168.0 10.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 75.22 110.926 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 34.3 mtmt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 64.21 110.895 179.89 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 26.4 p . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.813 0.339 . . . . 71.42 110.892 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.17 110.57 8.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 54.23 111.087 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.7 ptpp? -75.28 168.95 19.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 74.23 110.885 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 49.1 tt0 -52.01 127.39 21.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 74.44 110.852 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 103.99 -29.71 11.59 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.734 -0.746 . . . . 73.21 112.503 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -63.35 154.99 30.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.902 0.382 . . . . 73.11 110.885 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.408 HG22 ' CE1' ' A' ' 73' ' ' TYR . 21.7 t -92.49 149.35 4.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 61.22 111.113 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 20.5 m -116.39 142.22 47.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 64.02 110.875 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 164.8 -31.46 0.24 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.767 -0.73 . . . . 65.22 112.49 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 81.7 m95 -92.91 40.79 1.06 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.79 0.329 . . . . 74.14 110.937 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 63.46 32.9 85.72 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.717 -0.754 . . . . 55.31 112.545 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.1 m -106.5 116.14 31.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.973 0.416 . . . . 74.31 110.871 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.9 mtpt -82.56 157.44 23.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 71.21 110.874 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 69.8 m -80.94 141.84 34.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 72.2 110.897 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.625 ' HB2' HD12 ' A' ' 64' ' ' LEU . 89.3 m -51.6 167.14 0.11 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 75.12 110.897 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 13.3 m80 -55.96 127.01 28.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 42.42 110.876 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 87.43 18.89 56.28 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.76 -0.733 . . . . 74.41 112.493 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.625 HD12 ' HB2' ' A' ' 61' ' ' CYS . 32.5 mt -141.07 160.09 40.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.82 0.343 . . . . 60.32 110.937 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -153.35 162.28 41.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 64.03 110.835 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -116.26 131.04 24.01 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.627 0.727 . . . . 63.12 110.83 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 166.98 25.74 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.735 2.29 . . . . 74.33 112.342 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 15.9 mt -96.69 95.4 7.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 63.12 110.931 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -160.1 -174.73 4.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 64.13 111.118 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -52.59 -66.12 0.44 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 64.35 110.895 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.6 mp -126.62 82.8 66.22 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.601 0.715 . . . . 74.52 111.096 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 169.72 18.29 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.715 2.277 . . . . 74.31 112.345 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.408 ' CE1' HG22 ' A' ' 53' ' ' VAL . 38.5 m-85 -144.63 131.01 19.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 74.54 110.93 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 55.8 m -51.61 134.52 29.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.098 -0.501 . . . . 54.34 110.857 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.2 pt-20 -155.17 158.66 39.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 75.52 110.916 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 5.7 mmmm -51.47 118.77 3.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.131 -0.486 . . . . 71.32 110.883 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 11.6 t80 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.26 -0.427 . . . . 63.54 110.93 179.999 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.541 -0.224 . . . . 74.11 112.541 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 53.24 54.33 10.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.891 0.377 . . . . 75.11 110.866 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 29.6 p -165.66 151.64 9.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 75.34 110.827 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -83.6 132.7 34.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 73.24 111.062 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.8 mmmm -59.65 175.0 0.39 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 73.32 110.905 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 62.1 tt0 -69.18 123.64 21.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 74.43 110.902 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.78 -28.7 9.71 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.684 -0.77 . . . . 31.22 112.511 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -65.03 159.91 22.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.912 0.387 . . . . 75.42 110.862 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 t -72.63 150.01 8.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 74.32 111.126 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 17.6 p -122.31 142.79 50.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 72.3 110.877 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 91.6 p -123.74 -173.85 2.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 75.21 110.92 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 72.0 t90 -60.04 -38.94 84.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.175 -0.466 . . . . 71.54 110.898 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -92.76 -24.86 22.15 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.772 -0.727 . . . . 64.31 112.464 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.62 106.97 17.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.825 0.345 . . . . 74.3 110.888 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -105.81 144.97 31.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.292 -0.413 . . . . 73.54 110.905 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 61.1 m -52.18 132.43 33.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 64.15 110.871 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 66.9 m -52.18 -36.3 51.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 71.34 110.854 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -113.52 99.39 7.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.471 . . . . 71.02 110.884 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 46.6 mt -79.58 -36.54 38.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 75.41 110.897 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -61.94 -37.05 83.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 64.33 110.863 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -94.26 -58.65 2.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 73.15 110.902 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -97.53 162.01 13.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 73.23 110.896 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -153.09 176.83 11.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 75.13 110.914 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 98.2 m -108.36 88.67 5.15 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.607 0.717 . . . . 71.13 110.883 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 149.21 66.92 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.74 2.293 . . . . 72.33 112.378 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 27.9 ttm -79.93 104.61 10.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 70.24 110.909 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -163.3 -179.24 6.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 72.03 110.865 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.503 ' HB2' HD12 ' A' ' 29' ' ' ILE . 94.7 m-85 -51.99 -55.92 17.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 74.52 110.879 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.503 HD12 ' HB2' ' A' ' 28' ' ' PHE . 3.9 mp -123.83 102.14 35.35 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.628 0.728 . . . . 75.44 111.105 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 121.45 8.14 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.678 2.252 . . . . 61.33 112.338 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 33.3 m80 -114.12 169.38 9.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 74.12 110.799 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 68.8 m -105.19 65.57 0.73 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 72.31 110.856 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.88 165.75 12.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 73.15 110.876 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.5 ttmt -58.5 160.28 5.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 75.53 110.886 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -52.01 155.78 1.75 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 73.44 110.899 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 33.4 mtmt -56.94 159.94 6.72 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.581 0.705 . . . . 74.44 110.913 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 165.95 29.3 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.724 2.283 . . . . 63.55 112.316 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 35.8 p90 -51.98 154.6 2.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.448 . . . . 75.33 110.907 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.436 HG13 ' HD2' ' A' ' 40' ' ' PRO . 58.2 t -70.25 133.33 87.54 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.655 0.74 . . . . 54.4 111.086 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.436 ' HD2' HG13 ' A' ' 39' ' ' VAL . 53.5 Cg_endo -69.8 162.75 40.9 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.682 2.254 . . . . 71.12 112.344 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 38.9 t -51.73 148.1 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 73.23 111.17 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.2 t -51.82 141.57 16.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 64.3 111.171 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.6 166.74 5.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 75.01 111.18 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 22.8 t -89.15 166.15 14.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 63.42 110.873 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -67.92 139.2 56.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 73.5 110.848 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -175.74 157.56 2.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.495 . . . . 43.31 110.912 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 16.9 p -61.78 159.16 14.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 70.21 110.894 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.69 112.26 11.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 73.44 111.147 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -76.91 167.79 21.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 74.44 110.873 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 16.6 tm-20 -51.53 128.19 22.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 70.44 110.879 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 102.55 -29.81 11.72 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.721 -0.752 . . . . 54.33 112.494 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -63.28 154.8 30.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.928 0.394 . . . . 73.42 110.877 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 23.3 t -89.22 149.59 3.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.118 -0.492 . . . . 71.41 111.128 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 34.7 m -116.91 151.61 36.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.448 . . . . 74.12 110.897 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 141.54 -33.49 1.97 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.755 -0.736 . . . . 74.1 112.467 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 19.4 m-90 -94.57 51.48 1.43 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.882 0.372 . . . . 74.32 110.948 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 63.79 32.53 84.49 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.741 -0.742 . . . . 72.11 112.517 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.37 119.44 39.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.976 0.417 . . . . 72.54 110.844 -179.698 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -106.68 127.87 53.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 71.51 110.93 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 72.4 m -55.19 150.08 11.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 72.44 110.868 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 22.1 m -66.68 166.89 12.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 71.13 110.859 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 9.4 p80 -52.14 128.72 25.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 74.41 110.849 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 96.78 -23.27 36.17 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.779 -0.724 . . . . 71.13 112.49 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.602 HD21 ' HE3' ' A' ' 76' ' ' LYS . 13.2 mt -102.96 160.21 14.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.777 0.322 . . . . 50.23 110.929 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -153.18 161.47 42.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.462 . . . . 65.45 110.885 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -115.79 133.69 22.8 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.615 0.722 . . . . 74.13 110.901 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 167.26 25.04 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.703 2.269 . . . . 75.4 112.358 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -97.2 95.19 7.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 70.33 110.921 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -160.07 -174.58 4.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 63.2 111.143 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -52.91 -66.02 0.46 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 55.44 110.84 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.6 mp -126.2 82.71 65.0 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.59 0.71 . . . . 71.14 111.1 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 169.83 18.01 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.663 2.242 . . . . 74.41 112.303 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -143.85 131.29 21.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 73.53 110.95 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 54.3 m -51.2 137.38 22.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 70.11 110.899 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -157.89 147.16 19.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 70.14 110.843 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.602 ' HE3' HD21 ' A' ' 64' ' ' LEU . 27.1 mmtp -51.53 118.87 3.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 70.2 110.871 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -52.1 118.95 3.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 75.3 110.944 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 71.02 110.892 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.496 -0.242 . . . . 45.03 112.496 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -137.48 115.88 11.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.856 0.36 . . . . 74.41 110.864 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 28.0 p -171.93 169.46 5.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.466 . . . . 62.12 110.896 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -89.55 127.68 35.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 43.23 111.124 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 52.3 mtpt -65.26 171.15 4.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 73.32 110.912 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -63.01 121.74 14.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 75.52 110.9 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.75 -28.72 9.66 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.747 -0.739 . . . . 53.22 112.493 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -61.1 161.02 9.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.873 0.368 . . . . 74.35 110.92 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.3 t -75.81 150.51 6.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 64.31 111.113 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.3 p -116.82 142.16 47.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 54.24 110.884 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 97.7 p -137.38 -174.55 3.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 55.14 110.859 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 69.9 p-90 -63.12 -37.9 89.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.117 -0.492 . . . . 73.21 110.927 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -87.63 -24.81 34.67 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.707 -0.758 . . . . 72.03 112.487 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.63 108.9 20.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.869 0.366 . . . . 74.22 110.915 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 34.4 mttp -107.26 125.89 51.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 71.14 110.893 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.601 ' HB3' HD23 ' A' ' 19' ' ' LEU . 0.7 OUTLIER -51.97 134.05 32.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 74.02 110.839 179.934 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -59.82 -35.97 75.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.094 -0.503 . . . . 74.41 110.904 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -118.62 78.68 1.29 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 53.41 110.849 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.601 HD23 ' HB3' ' A' ' 16' ' ' CYS . 57.2 mt -67.39 -35.25 78.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.45 . . . . 65.51 110.938 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -59.04 -35.86 74.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 75.25 110.851 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -90.81 -56.7 3.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 70.3 110.903 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -94.69 138.75 32.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 74.1 110.854 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 5.2 p90 -131.8 159.51 38.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 71.23 110.893 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 76.9 m -108.73 88.87 5.68 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.606 0.717 . . . . 51.34 110.862 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 165.24 31.63 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.691 2.261 . . . . 71.41 112.333 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 87.2 mmm -69.44 106.13 2.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 73.34 110.876 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -163.39 165.44 23.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 72.41 110.873 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -51.88 -56.37 14.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 74.34 110.891 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.425 ' HA ' ' HD2' ' A' ' 30' ' ' PRO . 3.7 mp -123.86 102.24 35.15 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.614 0.721 . . . . 73.34 111.137 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.425 ' HD2' ' HA ' ' A' ' 29' ' ' ILE . 53.9 Cg_endo -69.74 142.03 46.92 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.709 2.273 . . . . 71.02 112.357 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 32.9 m80 -136.9 144.46 43.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 63.32 110.895 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 34.7 m -71.69 81.24 0.85 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.443 . . . . 65.42 110.882 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.87 146.93 39.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 74.13 110.86 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 18.1 mtpt -61.0 156.18 18.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 63.24 110.9 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -52.01 156.59 1.51 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 71.22 110.911 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.4 mmmt -57.81 159.14 10.6 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.565 0.698 . . . . 71.12 110.949 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 166.02 28.98 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.711 2.274 . . . . 70.32 112.334 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -56.14 148.61 17.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.24 -0.436 . . . . 74.12 110.931 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.439 HG13 ' HD2' ' A' ' 40' ' ' PRO . 58.2 t -75.06 133.32 75.63 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.614 0.721 . . . . 52.23 111.108 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.439 ' HD2' HG13 ' A' ' 39' ' ' VAL . 53.9 Cg_endo -69.75 162.78 40.76 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.65 2.234 . . . . 73.22 112.395 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 51.4 t -52.61 143.09 4.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 70.23 111.151 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 69.0 p -53.06 142.09 20.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 74.45 111.156 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.84 162.63 29.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 73.32 111.126 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 53.0 p -86.53 160.11 19.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 71.35 110.863 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -70.53 133.7 47.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 64.5 110.902 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -162.12 145.13 11.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 75.4 110.852 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 17.4 p -61.71 156.27 20.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 64.35 110.919 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.45 110.46 5.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 52.21 111.095 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 46.3 pttt -78.11 163.88 25.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 74.22 110.933 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -50.21 123.75 9.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 71.01 110.893 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 109.95 -29.72 9.04 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.755 -0.736 . . . . 74.23 112.473 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -66.63 150.05 49.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.924 0.392 . . . . 73.41 110.873 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.442 HG11 HG23 ' A' ' 71' ' ' ILE . 35.7 t -82.76 148.59 5.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 72.41 111.104 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 26.9 m -119.75 172.69 7.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 75.13 110.892 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 128.06 -49.76 0.91 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.776 -0.726 . . . . 60.4 112.511 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 82.8 m95 -82.55 56.09 3.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.852 0.358 . . . . 73.53 110.938 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 63.56 32.65 84.86 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.741 -0.742 . . . . 71.02 112.457 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.6 m -103.31 116.83 33.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.916 0.389 . . . . 70.12 110.856 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -107.93 118.61 37.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.104 -0.498 . . . . 73.51 110.898 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 79.6 m -51.9 154.62 2.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 71.23 110.874 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 52.9 m -57.55 161.9 3.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 71.11 110.879 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 13.8 p80 -52.36 116.35 2.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 71.14 110.856 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 109.35 -23.27 23.09 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.728 -0.748 . . . . 70.34 112.445 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.427 HD23 ' C ' ' A' ' 75' ' ' GLU . 11.6 mt -102.54 153.69 19.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.797 0.332 . . . . 73.05 110.932 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -144.01 163.81 32.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 73.42 110.896 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -114.65 141.09 26.16 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.622 0.725 . . . . 75.32 110.831 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 167.88 23.1 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.696 2.264 . . . . 72.34 112.36 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 29.3 mt -96.37 95.07 7.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 74.13 110.911 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -163.6 -174.77 3.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 31.13 111.091 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -56.81 -66.55 0.43 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 64.23 110.848 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.442 HG23 HG11 ' A' ' 53' ' ' VAL . 3.5 mp -118.63 82.02 19.27 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.62 0.724 . . . . 72.24 111.109 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 169.83 17.94 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.652 2.234 . . . . 75.53 112.345 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -143.86 130.67 20.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 63.02 110.891 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 58.6 m -51.5 139.21 20.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 64.2 110.855 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.427 ' C ' HD23 ' A' ' 64' ' ' LEU . 8.3 pt-20 -157.94 160.64 37.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 53.2 110.876 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 30.8 mmtp -51.8 118.86 3.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 62.35 110.946 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 88.9 t80 -61.21 125.31 23.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.289 -0.414 . . . . 72.51 110.917 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 10.4 mmm180 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 63.13 110.915 -179.985 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 N-CA-C 112.501 -0.24 . . . . 50.41 112.501 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -68.0 113.96 6.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.877 0.37 . . . . 72.21 110.861 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 24.5 p -170.18 171.74 6.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 71.14 110.928 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.665 ' HB2' ' HG2' ' A' ' 14' ' ' LYS . . . -96.87 159.52 14.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 73.11 111.111 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 20.4 mttp -78.81 174.58 11.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 73.5 110.877 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 62.4 tt0 -70.39 119.77 15.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 75.43 110.888 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.69 -28.67 9.7 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.756 -0.735 . . . . 42.21 112.524 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -60.65 156.02 17.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.912 0.387 . . . . 54.24 110.842 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.4 t -72.69 150.46 8.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.475 . . . . 75.45 111.148 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 31.9 p -116.38 137.52 52.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 70.33 110.88 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 94.9 p -116.8 -171.55 2.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 74.24 110.84 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 32.3 t90 -61.06 -36.61 80.07 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.1 -0.5 . . . . 74.12 110.911 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -95.28 -24.89 15.22 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.754 -0.736 . . . . 75.23 112.502 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.665 ' HG2' ' HB2' ' A' ' 4' ' ' ALA . 1.5 ttpt -103.03 108.41 19.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.889 0.376 . . . . 71.13 110.928 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -107.39 143.68 35.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 73.32 110.872 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 92.2 m -52.07 119.65 4.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 62.34 110.894 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -52.14 -39.32 59.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 74.31 110.902 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -103.17 94.64 5.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 61.21 110.842 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 71.4 mt -82.04 -37.49 26.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 74.22 110.869 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -59.58 -36.11 75.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 75.0 110.893 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -99.26 -59.06 1.79 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 71.13 110.85 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -95.07 170.79 9.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 74.23 110.913 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -166.12 176.83 7.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 73.22 110.879 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 90.1 m -108.36 88.75 5.22 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.653 0.739 . . . . 74.34 110.911 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 158.25 57.56 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.707 2.271 . . . . 42.11 112.312 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 17.8 ttm -81.17 102.36 10.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 75.51 110.896 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -163.32 176.75 9.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 53.02 110.876 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.415 ' HB2' HD12 ' A' ' 29' ' ' ILE . 97.4 m-85 -51.95 -57.09 10.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 74.4 110.896 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.415 HD12 ' HB2' ' A' ' 28' ' ' PHE . 3.8 mp -123.84 102.13 35.35 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.577 0.703 . . . . 74.41 111.139 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 29' ' ' ILE . 53.6 Cg_endo -69.76 121.43 8.12 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.672 2.248 . . . . 75.54 112.325 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 31.6 m80 -114.2 143.61 44.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 74.4 110.86 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 82.4 m -76.92 64.47 2.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 54.4 110.882 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.1 ptpt -113.38 168.49 9.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 55.51 110.902 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.2 mtpm? -68.22 160.3 29.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 75.02 110.844 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -55.35 157.56 3.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 73.32 110.896 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -127.28 157.32 72.92 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.603 0.716 . . . . 55.32 110.874 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 166.02 29.01 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.666 2.244 . . . . 62.42 112.379 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -64.2 123.2 18.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 63.42 110.923 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.442 HG13 ' HD2' ' A' ' 40' ' ' PRO . 58.4 t -131.89 133.34 23.94 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.643 0.735 . . . . 65.13 111.121 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.442 ' HD2' HG13 ' A' ' 39' ' ' VAL . 53.4 Cg_endo -69.81 124.1 10.73 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.707 2.271 . . . . 75.44 112.323 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 39.5 t -101.59 135.71 36.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 52.01 111.124 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 22.2 p -80.76 160.65 24.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 74.35 111.189 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 4.5 p -85.99 76.85 9.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 72.41 111.148 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.0 p -88.87 165.56 14.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 72.32 110.894 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -77.28 148.52 35.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 75.2 110.904 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 35.6 t30 -161.05 151.69 18.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 71.14 110.886 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 6.7 p -129.61 156.95 43.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 63.11 110.871 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.03 114.38 13.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 73.52 111.11 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.2 ptmm? -77.54 163.76 26.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.266 -0.425 . . . . 71.01 110.915 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 -50.46 124.15 10.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 53.11 110.866 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 109.87 -29.71 9.09 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.745 -0.74 . . . . 75.54 112.507 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -66.58 150.46 48.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.883 0.373 . . . . 64.23 110.861 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.446 ' CG1' HG23 ' A' ' 71' ' ' ILE . 44.6 t -83.48 147.67 5.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 71.11 111.12 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 27.4 m -118.45 178.62 4.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 54.22 110.908 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 111.25 -34.5 5.26 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.699 -0.762 . . . . 74.44 112.501 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 95.6 m95 -89.2 48.96 1.69 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.79 0.328 . . . . 74.52 110.892 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 63.58 32.59 84.66 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.758 -0.734 . . . . 70.21 112.442 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -114.51 121.22 42.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.925 0.393 . . . . 44.41 110.872 -179.748 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.92 132.65 47.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.09 -0.504 . . . . 72.0 110.861 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 85.8 m -58.58 161.44 4.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 73.12 110.874 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.55 ' HB2' HD12 ' A' ' 64' ' ' LEU . 86.0 m -68.85 169.07 12.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.481 . . . . 72.54 110.885 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 9.6 t-160 -56.45 115.59 2.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 71.44 110.871 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 97.34 18.82 27.45 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.714 -0.755 . . . . 71.55 112.516 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.55 HD12 ' HB2' ' A' ' 61' ' ' CYS . 16.2 mt -141.53 149.18 40.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.808 0.337 . . . . 73.54 110.928 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -144.31 164.78 29.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 64.34 110.847 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -114.28 140.06 24.58 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.635 0.731 . . . . 74.31 110.875 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 167.79 23.36 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.647 2.232 . . . . 64.01 112.352 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 44.8 mt -93.67 95.1 8.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 61.25 110.943 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -163.18 -174.64 3.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 70.21 111.105 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.513 ' HB3' HD12 ' A' ' 71' ' ' ILE . 3.9 m-85 -58.29 -66.56 0.46 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 73.31 110.891 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.513 HD12 ' HB3' ' A' ' 70' ' ' PHE . 4.4 mp -118.22 82.04 17.72 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.601 0.715 . . . . 72.34 111.179 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 169.73 18.21 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.645 2.23 . . . . 71.23 112.303 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.401 ' CE1' HG22 ' A' ' 71' ' ' ILE . 33.5 m-85 -143.16 130.55 21.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 53.5 110.923 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 55.7 m -51.3 138.97 20.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.505 . . . . 71.04 110.905 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.438 ' C ' HD23 ' A' ' 64' ' ' LEU . 2.3 pp20? -157.98 156.55 31.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 75.35 110.847 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -51.66 118.85 3.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 74.03 110.925 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 10.1 p90 -52.15 137.9 26.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 72.04 110.92 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 72.51 110.846 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.473 -0.251 . . . . 51.33 112.473 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -112.91 98.92 7.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.854 0.359 . . . . 74.45 110.806 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 17.3 p -172.0 167.98 6.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 73.41 110.884 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -91.18 119.81 31.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 62.25 111.146 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.17 175.39 1.28 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 54.52 110.891 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -60.61 116.46 4.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 75.22 110.887 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.57 -28.71 14.62 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.743 -0.741 . . . . 73.22 112.477 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -57.42 160.91 3.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.899 0.38 . . . . 72.52 110.877 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 20.7 t -83.17 150.98 4.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 75.24 111.124 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 17.5 p -111.71 142.68 43.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 72.24 110.918 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 64.6 p -149.41 -179.4 7.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 72.12 110.858 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 34.2 t90 -56.84 -35.55 68.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.139 -0.482 . . . . 71.03 110.923 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -94.17 -24.88 18.16 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.727 -0.749 . . . . 75.23 112.475 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -103.76 106.49 17.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.855 0.359 . . . . 74.32 110.884 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.3 mmpt? -107.77 123.27 48.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 75.23 110.896 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.452 ' HB3' HD23 ' A' ' 19' ' ' LEU . 0.9 OUTLIER -51.91 145.37 10.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 64.11 110.912 179.93 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -64.09 -46.88 82.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 75.35 110.934 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -110.81 77.02 1.01 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 70.35 110.837 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.452 HD23 ' HB3' ' A' ' 16' ' ' CYS . 78.4 mt -62.02 -35.28 78.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.214 -0.448 . . . . 74.44 110.932 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -56.45 -35.96 68.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 75.33 110.912 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 52.8 m-20 -92.5 -55.43 3.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 74.53 110.919 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -94.43 135.92 35.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 75.33 110.902 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 20.6 p90 -129.27 175.68 8.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 74.44 110.966 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 66.6 m -109.22 87.11 4.61 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.573 0.701 . . . . 72.13 110.915 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 158.42 56.95 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.668 2.245 . . . . 73.05 112.332 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 34.0 tpp -70.7 102.99 2.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 71.45 110.891 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -163.67 168.29 20.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 65.53 110.872 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -51.32 -57.08 9.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 75.43 110.884 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.3 mp -124.04 102.29 34.51 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.651 0.738 . . . . 73.34 111.138 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 123.28 9.93 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.663 2.242 . . . . 60.51 112.324 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 23.3 m80 -117.64 151.27 37.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 74.45 110.892 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 34.1 m -71.8 81.16 0.88 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 44.12 110.871 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.1 ttmt -115.6 130.84 57.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 65.22 110.907 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.2 ptpt -64.69 153.54 39.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 73.12 110.926 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -51.66 153.64 2.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.249 -0.432 . . . . 73.14 110.904 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 36.7 mtpt -52.64 159.92 1.56 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.596 0.712 . . . . 52.11 110.868 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 166.03 29.05 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.673 2.249 . . . . 70.05 112.331 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -53.47 145.85 13.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 74.45 110.94 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.423 HG13 ' HD2' ' A' ' 40' ' ' PRO . 58.4 t -80.92 133.31 55.03 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.646 0.736 . . . . 73.42 111.13 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.423 ' HD2' HG13 ' A' ' 39' ' ' VAL . 53.9 Cg_endo -69.74 156.77 62.53 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.673 2.249 . . . . 73.31 112.364 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 38.7 t -55.77 147.67 4.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 61.23 111.155 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 14.1 p -60.26 155.24 18.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 51.04 111.122 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.95 163.06 20.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.458 . . . . 75.03 111.123 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.4 t -79.81 158.56 26.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 63.11 110.886 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -79.04 160.83 26.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 74.24 110.854 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -159.03 144.14 16.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 53.45 110.928 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 19.3 p -62.99 159.28 17.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 51.55 110.893 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -78.07 113.42 15.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 73.12 111.111 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 47.3 pttt -76.18 166.79 22.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 73.01 110.898 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -51.6 128.7 23.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.226 -0.443 . . . . 72.42 110.894 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 102.74 -29.84 11.65 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.785 -0.721 . . . . 64.12 112.499 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -63.83 155.81 29.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.874 0.369 . . . . 43.4 110.893 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 22.1 t -90.05 149.45 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 72.43 111.186 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 33.8 m -116.61 143.57 45.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 73.42 110.871 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 154.26 -33.42 0.71 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.765 -0.731 . . . . 45.44 112.539 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 22.7 m-90 -91.53 46.35 1.29 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.802 0.334 . . . . 73.32 110.969 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 64.22 32.67 84.96 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.732 -0.747 . . . . 73.34 112.442 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -109.29 116.89 32.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.961 0.41 . . . . 74.14 110.866 -179.78 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.6 mmmm -99.71 133.42 44.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.092 -0.504 . . . . 62.14 110.908 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 74.2 m -57.8 151.42 17.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 63.11 110.855 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 25.4 m -65.63 167.07 9.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 75.51 110.88 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 5.9 p-80 -52.23 128.39 24.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 75.54 110.894 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 96.8 -23.34 35.87 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.722 -0.752 . . . . 65.33 112.478 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.452 HD23 ' HA ' ' A' ' 76' ' ' LYS . 20.8 mt -102.21 160.5 14.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.805 0.335 . . . . 73.22 110.96 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -153.87 160.31 42.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 54.02 110.885 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -116.24 132.15 23.43 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.638 0.732 . . . . 72.14 110.901 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 167.03 25.6 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.72 2.28 . . . . 62.32 112.342 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -97.12 95.29 7.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 73.42 110.921 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -159.66 -174.4 4.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 74.1 111.04 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -52.18 -65.84 0.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 64.03 110.863 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.9 mp -127.75 82.96 67.35 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.633 0.73 . . . . 75.01 111.111 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 169.83 18.07 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.644 2.23 . . . . 61.55 112.351 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -143.49 131.71 21.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 74.31 110.892 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 55.3 m -51.47 137.51 23.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 62.3 110.881 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -158.09 147.2 19.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 63.42 110.86 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.452 ' HA ' HD23 ' A' ' 64' ' ' LEU . 26.5 mmtp -51.26 118.73 3.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 75.14 110.882 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -65.05 132.68 49.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 73.43 110.982 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 19.1 tpt180 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 70.53 110.91 -179.982 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.464 -0.254 . . . . 61.24 112.464 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -106.73 94.5 5.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.867 0.365 . . . . 74.45 110.833 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 30.1 p -171.86 169.54 5.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 65.21 110.827 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -104.91 132.51 51.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 70.41 111.094 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.67 167.8 1.39 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 73.13 110.887 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 59.7 tt0 -63.39 125.34 23.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 51.34 110.87 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.19 -28.78 9.88 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.743 -0.741 . . . . 75.3 112.482 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -62.58 158.64 17.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.904 0.383 . . . . 74.13 110.908 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 59.9 t -73.96 145.93 10.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 73.52 111.083 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 17.6 p -121.2 151.42 39.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 62.41 110.822 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 66.7 p -138.89 -174.52 3.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 72.41 110.869 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 68.9 t90 -57.27 -36.09 70.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.16 -0.473 . . . . 72.12 110.863 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -95.26 -24.84 15.41 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.733 -0.746 . . . . 54.23 112.484 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.7 tppt? -101.7 109.99 21.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.88 0.372 . . . . 74.32 110.849 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.9 mtpp -106.84 134.21 50.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 74.21 110.939 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 80.0 m -51.96 135.11 31.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 71.2 110.882 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 57.5 m -54.24 -43.69 71.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 74.11 110.905 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -103.64 98.27 8.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 65.3 110.828 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 68.0 mt -84.77 -36.19 21.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 74.5 110.943 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -61.98 -36.02 80.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 63.35 110.882 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 19.8 m120 -97.01 -56.69 2.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 71.41 110.9 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -95.9 163.23 13.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 64.14 110.911 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -156.09 176.89 12.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 72.32 110.929 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 98.4 m -108.37 88.71 5.19 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.634 0.731 . . . . 51.33 110.885 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 162.53 41.7 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.683 2.256 . . . . 54.43 112.36 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.4 107.07 16.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 61.32 110.904 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -163.31 172.1 15.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 75.15 110.879 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 51.9 m-85 -52.05 -49.8 62.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 75.13 110.876 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.4 mt -123.74 102.16 35.62 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.592 0.71 . . . . 34.5 111.152 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 121.39 8.08 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.65 2.233 . . . . 64.25 112.343 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 34.9 m170 -111.39 175.98 5.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 74.44 110.834 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 36.4 m -109.15 57.42 0.61 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 74.41 110.915 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 28.0 mtmt -113.39 170.89 7.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 72.25 110.913 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.2 ptpt -86.24 160.18 19.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 53.15 110.906 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -51.97 155.82 1.71 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 75.52 110.925 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.6 mmtm -66.01 159.75 68.23 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.627 0.727 . . . . 75.41 110.886 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 165.97 29.1 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.655 2.237 . . . . 72.13 112.365 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -61.19 147.19 45.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 71.13 110.94 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.424 HG13 ' HD2' ' A' ' 40' ' ' PRO . 58.3 t -88.05 133.3 37.48 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.652 0.739 . . . . 74.11 111.089 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.424 ' HD2' HG13 ' A' ' 39' ' ' VAL . 54.1 Cg_endo -69.76 159.69 52.46 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.692 2.261 . . . . 71.1 112.383 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 53.6 t -53.52 145.74 3.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 75.22 111.122 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.0 m -53.15 139.81 27.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 75.15 111.13 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 15.1 t -57.36 170.17 0.54 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 65.11 111.133 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 27.5 m -81.49 157.36 24.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 64.35 110.867 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 -78.7 130.64 36.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 74.44 110.885 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -172.77 126.3 0.48 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.133 -0.485 . . . . 64.13 110.863 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 16.7 p -61.98 161.53 10.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 64.31 110.865 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.35 112.08 16.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 54.4 111.096 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 53.9 mttp -76.12 167.84 21.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.447 . . . . 72.13 110.947 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -51.72 129.44 26.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 64.11 110.928 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 101.09 -29.91 11.5 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.76 -0.733 . . . . 72.34 112.513 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 49.8 mm-40 -63.13 153.43 34.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.929 0.395 . . . . 70.41 110.872 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.7 t -87.97 149.91 3.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 71.44 111.145 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 35.6 m -116.44 144.36 44.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 62.1 110.895 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 147.45 -34.07 1.29 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.725 -0.75 . . . . 72.51 112.513 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 88.1 m95 -90.68 49.09 1.61 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.797 0.332 . . . . 74.41 110.883 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 64.06 32.78 85.31 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.716 -0.754 . . . . 23.52 112.472 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -112.11 123.95 51.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.957 0.408 . . . . 61.15 110.83 -179.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.9 mmtt -109.51 130.48 55.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.093 -0.503 . . . . 70.45 110.858 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 71.8 m -54.32 151.41 7.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 74.44 110.885 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 18.0 m -68.65 168.83 12.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 74.04 110.875 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 38.1 m-70 -53.74 127.16 24.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 73.2 110.905 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 98.56 -23.31 36.78 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.746 -0.74 . . . . 74.11 112.489 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.437 HD23 ' N ' ' A' ' 76' ' ' LYS . 15.0 mt -102.24 160.51 14.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.824 0.345 . . . . 74.32 110.909 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -152.61 159.12 43.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 73.11 110.84 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -115.54 132.59 23.05 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.621 0.724 . . . . 62.52 110.895 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 166.81 26.34 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.693 2.262 . . . . 62.44 112.359 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -97.04 95.39 7.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 70.05 110.943 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -159.74 -174.71 4.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 74.33 111.094 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -52.27 -65.99 0.46 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 74.42 110.851 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.7 mp -127.19 82.83 67.45 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.626 0.727 . . . . 73.32 111.103 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 169.74 18.23 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.669 2.246 . . . . 72.02 112.324 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -143.39 131.41 21.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 75.35 110.965 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 55.4 m -51.77 137.88 24.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 71.31 110.873 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -158.05 146.66 19.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 62.12 110.919 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.437 ' N ' HD23 ' A' ' 64' ' ' LEU . 61.7 mmtt -51.49 118.88 3.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 72.05 110.928 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -53.16 119.89 5.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 74.11 110.91 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 31.9 mtm180 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.107 -0.497 . . . . 62.34 110.9 -179.995 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.452 -0.259 . . . . 71.33 112.452 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -88.89 73.16 8.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.824 0.345 . . . . 62.23 110.832 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.0 p -171.98 171.64 4.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 60.23 110.896 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -93.85 134.68 35.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 25.55 111.065 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.6 tttm -58.92 162.36 4.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 74.04 110.877 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 61.1 tt0 -61.38 113.72 2.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 73.32 110.859 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.99 -28.66 15.01 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.694 -0.765 . . . . 74.34 112.481 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -60.31 160.22 8.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.847 0.356 . . . . 70.1 110.891 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.5 t -71.44 150.29 9.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 74.34 111.184 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.5 p -119.32 142.2 48.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 53.03 110.826 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.3 p -128.97 -179.0 4.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 71.21 110.887 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 56.2 t90 -57.48 -36.23 71.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 75.01 110.918 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -93.91 -24.8 19.14 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.708 -0.758 . . . . 75.24 112.469 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.6 ttpt -102.41 110.67 22.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.852 0.358 . . . . 73.44 110.901 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.2 mmmm -107.55 150.66 26.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 74.14 110.878 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 27.1 m -73.9 130.41 39.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 70.14 110.864 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -52.21 -45.15 65.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.499 . . . . 65.33 110.866 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -99.14 87.34 3.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 72.55 110.883 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 91.6 mt -79.2 -36.07 40.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 75.13 110.908 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -63.63 -36.03 82.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 64.53 110.859 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -92.5 -56.39 3.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 72.23 110.871 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -99.99 157.08 16.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 73.13 110.864 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -148.97 176.82 10.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.117 -0.492 . . . . 75.12 110.944 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.407 ' HA ' ' HD2' ' A' ' 25' ' ' PRO . 87.9 m -108.32 88.74 5.17 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.632 0.73 . . . . 32.43 110.913 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 24' ' ' CYS . 53.7 Cg_endo -69.74 152.38 69.42 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.705 2.27 . . . . 51.32 112.326 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -74.77 106.94 6.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 53.1 110.875 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -163.3 179.27 7.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.451 . . . . 72.34 110.873 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.433 ' HB2' HD12 ' A' ' 29' ' ' ILE . 54.8 m-85 -51.94 -56.94 11.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 71.42 110.896 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.433 HD12 ' HB2' ' A' ' 28' ' ' PHE . 3.8 mp -123.84 102.21 35.26 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.613 0.72 . . . . 74.45 111.122 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 121.55 8.23 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.676 2.25 . . . . 74.34 112.328 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 30.7 m80 -114.26 169.88 8.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 65.24 110.854 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 84.8 m -97.69 59.39 1.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 53.31 110.932 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.2 ptpt -113.34 170.95 7.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 74.33 110.897 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.3 ptmt -86.58 160.36 18.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 70.05 110.897 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -51.98 155.77 1.73 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.257 -0.428 . . . . 71.24 110.92 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 44.1 mtpt -87.95 159.89 47.66 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.555 0.693 . . . . 74.34 110.894 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 125.06 11.7 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.657 2.238 . . . . 63.32 112.381 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -56.61 141.59 42.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 64.44 110.94 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.445 HG13 ' HD2' ' A' ' 40' ' ' PRO . 58.3 t -126.86 133.33 24.92 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.631 0.729 . . . . 70.3 111.121 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.445 ' HD2' HG13 ' A' ' 39' ' ' VAL . 53.9 Cg_endo -69.76 126.11 12.93 Favored 'Trans proline' 0 N--CA 1.466 -0.145 0 C-N-CA 122.691 2.261 . . . . 75.23 112.341 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 51.8 t -76.99 140.61 16.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 74.25 111.18 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 66.4 p -55.2 162.32 1.46 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 72.25 111.124 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 64.31 36.79 8.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 74.41 111.143 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.5 t -76.42 166.17 23.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.425 . . . . 63.23 110.844 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -85.13 161.1 19.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 74.02 110.855 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -172.84 155.28 3.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 43.04 110.87 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 28.5 p -62.3 167.18 4.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 71.3 110.866 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -92.79 113.21 25.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 64.42 111.122 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -77.6 168.93 19.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 73.01 110.873 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -51.92 125.81 16.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 52.23 110.889 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 105.43 -30.0 10.57 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.724 -0.75 . . . . 61.15 112.454 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -63.4 155.69 28.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.859 0.361 . . . . 63.1 110.916 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 22.0 t -90.4 149.45 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 51.51 111.137 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 27.9 m -116.8 146.12 43.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 61.44 110.9 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 145.35 -33.53 1.57 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.751 -0.738 . . . . 72.3 112.46 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 83.1 m95 -90.51 47.27 1.41 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.757 0.313 . . . . 75.1 110.9 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 64.05 32.36 83.94 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.789 -0.72 . . . . 51.43 112.446 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.54 120.04 40.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.956 0.408 . . . . 73.31 110.867 -179.792 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.89 135.93 41.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.505 . . . . 72.13 110.863 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 93.6 m -57.34 146.66 28.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 54.53 110.852 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 33.1 m -63.22 170.44 2.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 71.44 110.882 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 17.1 p80 -57.62 123.48 15.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 52.52 110.863 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 93.81 18.67 36.81 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.711 -0.757 . . . . 55.0 112.471 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 13.2 mt -141.7 160.13 40.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.812 0.339 . . . . 74.42 110.941 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -151.23 159.33 44.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 45.1 110.91 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -116.74 133.31 23.06 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.639 0.733 . . . . 73.33 110.887 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 167.12 25.32 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.668 2.245 . . . . 75.25 112.327 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 8.8 mp -97.6 95.54 7.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 63.21 110.912 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -159.37 -174.47 4.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 53.53 111.109 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.402 ' HB2' HD12 ' A' ' 71' ' ' ILE . 22.3 m-85 -53.04 -64.1 0.93 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 74.55 110.856 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.402 HD12 ' HB2' ' A' ' 70' ' ' PHE . 4.3 mp -128.63 82.6 68.3 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.644 0.735 . . . . 75.43 111.138 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 169.76 18.17 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.699 2.266 . . . . 62.41 112.341 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 43.5 m-85 -143.61 132.15 22.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 73.41 110.914 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 54.6 m -51.55 137.49 24.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 70.24 110.908 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -156.08 151.56 26.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 75.23 110.868 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 52.9 mmtt -51.71 119.01 3.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 75.21 110.915 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -56.09 137.13 51.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 73.33 110.901 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 75.54 110.859 -179.968 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.43 -0.268 . . . . 44.44 112.43 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -146.14 178.4 8.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.84 0.352 . . . . 62.31 110.863 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 27.2 p -168.81 169.31 9.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 73.35 110.898 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.433 ' HB2' ' HG2' ' A' ' 14' ' ' LYS . . . -96.66 159.85 14.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.462 . . . . 74.55 111.099 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.1 mmmt -77.56 172.88 12.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 63.52 110.851 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 61.8 tt0 -70.53 118.14 12.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 73.34 110.867 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.68 -28.71 9.6 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.713 -0.756 . . . . 44.1 112.481 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 54.3 mm-40 -61.47 148.04 43.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.885 0.374 . . . . 60.12 110.91 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.4 t -62.18 150.47 8.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 73.21 111.151 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.6 p -113.29 141.93 46.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 14.31 110.834 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 77.4 p -114.28 -173.71 2.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 72.11 110.875 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 51.1 t90 -62.77 -35.66 80.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 73.12 110.941 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -99.42 -24.83 9.81 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.704 -0.76 . . . . 43.31 112.472 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.433 ' HG2' ' HB2' ' A' ' 4' ' ' ALA . 0.0 OUTLIER -100.59 106.54 18.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.854 0.359 . . . . 74.12 110.905 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -107.57 157.34 18.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 73.32 110.866 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 56.5 m -57.77 122.74 13.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 63.05 110.87 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -52.23 -36.14 51.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 75.24 110.911 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -114.27 100.2 8.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 75.52 110.854 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 77.2 mt -80.63 -36.34 32.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 74.43 110.905 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -61.88 -36.05 80.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 74.43 110.848 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -96.33 -58.57 2.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 72.24 110.91 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -94.72 164.72 12.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 74.51 110.878 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -164.1 158.65 19.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.492 . . . . 72.12 110.914 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.5 m -111.82 88.46 9.82 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.599 0.714 . . . . 62.53 110.933 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 170.57 16.26 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.737 2.291 . . . . 63.35 112.286 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 18.7 mtp -80.55 108.69 14.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.457 . . . . 55.43 110.884 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 21.1 pt-20 -163.31 178.36 8.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 75.02 110.893 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.47 ' HB2' HD12 ' A' ' 29' ' ' ILE . 95.8 m-85 -52.04 -57.02 10.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 73.34 110.903 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.47 HD12 ' HB2' ' A' ' 28' ' ' PHE . 3.7 mp -123.89 102.12 35.2 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.668 0.747 . . . . 63.23 111.146 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 121.45 8.15 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.68 2.253 . . . . 70.0 112.386 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 23.0 m80 -114.47 176.84 4.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 75.5 110.847 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 85.2 m -115.01 66.41 0.69 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 71.3 110.878 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.1 mtpt -113.49 167.71 10.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 51.14 110.916 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.1 tppt? -66.88 160.27 26.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 73.44 110.9 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -52.66 157.82 1.48 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 74.24 110.924 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 33.2 mtmt -55.25 159.93 3.85 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.563 0.697 . . . . 74.14 110.883 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 166.0 29.1 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.661 2.241 . . . . 62.41 112.366 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -52.07 127.39 21.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.253 -0.43 . . . . 62.21 110.906 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.425 HG13 ' HD2' ' A' ' 40' ' ' PRO . 58.7 t -104.92 133.29 20.22 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.638 0.732 . . . . 73.1 111.088 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.425 ' HD2' HG13 ' A' ' 39' ' ' VAL . 53.4 Cg_endo -69.83 161.76 44.7 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.653 2.235 . . . . 75.14 112.322 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 23.2 t -58.02 121.69 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 54.34 111.116 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.18 162.4 13.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 71.42 111.155 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.86 139.94 20.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 74.44 111.116 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 55.0 p -56.52 126.32 26.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 72.05 110.863 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -101.31 137.44 39.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 73.43 110.874 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -135.2 35.38 3.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 73.01 110.896 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 4.9 p -145.96 159.79 42.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 65.14 110.881 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.88 112.17 9.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 72.32 111.077 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 31.0 mttt -76.06 167.94 20.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 74.34 110.899 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -51.68 127.38 20.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 75.3 110.838 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 103.44 -29.8 11.6 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.72 -0.752 . . . . 64.35 112.483 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -63.66 155.23 30.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.881 0.372 . . . . 70.23 110.934 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.4 t -89.32 150.44 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 73.13 111.127 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 34.5 m -116.55 167.76 10.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 70.44 110.839 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 114.52 -34.17 5.04 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.731 -0.747 . . . . 64.21 112.508 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 9.7 m0 -92.3 45.28 1.2 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.81 0.338 . . . . 74.52 110.936 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 70.54 32.61 67.63 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.723 -0.751 . . . . 61.05 112.5 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -116.71 119.39 35.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.941 0.401 . . . . 74.04 110.882 -179.717 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.87 135.64 46.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 74.24 110.906 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 71.2 m -65.79 142.09 58.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.274 -0.421 . . . . 72.21 110.904 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 34.9 m -60.65 169.21 1.89 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 73.43 110.885 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -55.4 127.77 31.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 74.22 110.858 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 98.97 -23.22 37.3 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.773 -0.727 . . . . 74.4 112.484 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 76' ' ' LYS . 12.7 mt -102.52 160.43 14.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.799 0.333 . . . . 62.51 110.893 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -152.21 161.17 43.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 74.5 110.83 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -116.54 132.81 23.15 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.629 0.728 . . . . 75.34 110.925 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 166.9 26.06 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.704 2.269 . . . . 73.33 112.36 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 93.6 mt -97.04 95.43 7.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 72.21 110.885 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -159.94 -174.62 4.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 61.2 111.095 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.421 ' HB2' HD12 ' A' ' 71' ' ' ILE . 47.4 m-85 -52.42 -65.94 0.47 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 72.43 110.895 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.421 HD12 ' HB2' ' A' ' 70' ' ' PHE . 3.6 mp -127.03 82.84 67.39 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.644 0.735 . . . . 64.3 111.147 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 169.7 18.27 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.702 2.268 . . . . 74.2 112.311 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -143.59 132.02 22.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 73.12 110.911 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 55.5 m -51.52 136.8 25.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 61.25 110.862 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -157.07 147.27 21.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 74.53 110.878 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.41 ' HA ' HD23 ' A' ' 64' ' ' LEU . 27.4 mmtp -51.1 118.94 3.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 72.31 110.898 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -60.8 140.22 57.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 74.24 110.892 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 17.7 ttt85 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.055 -0.52 . . . . 71.13 110.853 -179.978 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.465 -0.254 . . . . 43.01 112.465 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -117.41 146.86 43.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.862 0.363 . . . . 73.34 110.889 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.9 p -171.93 170.61 5.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 54.35 110.853 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.728 ' HB2' ' HD2' ' A' ' 14' ' ' LYS . . . -97.78 121.03 39.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 45.53 111.05 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.65 175.0 1.55 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 74.05 110.868 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 71.3 tt0 -66.0 128.73 37.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 64.24 110.902 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.6 -28.65 9.68 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.757 -0.735 . . . . 63.01 112.516 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -67.42 161.0 26.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.928 0.394 . . . . 72.11 110.85 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 39.7 t -78.08 148.01 6.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 73.2 111.111 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 24.9 p -119.27 139.76 51.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 53.21 110.881 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 84.7 p -137.33 -172.67 3.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 64.32 110.86 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 67.9 p-90 -61.99 -38.49 88.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.153 -0.476 . . . . 72.51 110.924 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -89.65 -24.86 29.33 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.74 . . . . 74.34 112.439 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.728 ' HD2' ' HB2' ' A' ' 4' ' ' ALA . 0.1 OUTLIER -103.51 108.63 19.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.858 0.361 . . . . 73.43 110.911 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 45.5 mmtt -100.94 124.73 47.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 73.35 110.875 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.547 ' HA ' ' HB3' ' A' ' 4' ' ' ALA . 1.7 t -51.92 137.75 25.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 70.04 110.929 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 53.3 m -56.91 -35.89 69.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 73.11 110.88 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -119.38 77.37 1.2 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 73.12 110.901 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.495 HD23 ' HB3' ' A' ' 16' ' ' CYS . 85.8 mt -67.45 -34.37 77.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 45.33 110.935 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -58.58 -35.7 72.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 73.43 110.8 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.2 m120 -93.03 -57.66 2.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.447 . . . . 55.22 110.865 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -94.52 144.63 25.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 74.53 110.876 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 10.3 p90 -128.68 176.12 8.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 74.04 110.933 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 91.4 m -108.96 88.55 5.63 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.575 0.702 . . . . 72.51 110.863 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 147.45 63.3 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.698 2.266 . . . . 73.42 112.332 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 33.9 mmt -73.37 102.86 3.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.256 -0.429 . . . . 73.02 110.914 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -163.46 176.41 9.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 43.52 110.881 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -51.68 -57.18 9.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 74.03 110.897 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.6 mp -124.0 102.09 34.88 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.627 0.727 . . . . 63.43 111.121 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 121.41 8.09 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.659 2.24 . . . . 54.31 112.31 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 29.8 m80 -114.72 158.78 21.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 74.24 110.868 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 34.5 m -88.0 80.18 7.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 71.51 110.916 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 73.0 mttt -113.32 161.38 17.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 73.33 110.929 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 25.5 mtmt -73.01 148.15 44.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 74.1 110.877 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -55.37 153.58 7.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 74.35 110.927 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.7 mptt -89.42 159.92 43.29 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.571 0.7 . . . . 64.0 110.956 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 166.01 29.04 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.716 2.277 . . . . 73.34 112.337 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 41.0 p90 -54.64 143.89 23.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 74.43 110.9 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.438 HG13 ' HD2' ' A' ' 40' ' ' PRO . 58.3 t -71.85 133.31 84.29 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.611 0.72 . . . . 51.21 111.088 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.438 ' HD2' HG13 ' A' ' 39' ' ' VAL . 53.7 Cg_endo -69.76 154.31 67.89 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.721 2.281 . . . . 61.43 112.337 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 22.8 t -68.34 141.18 17.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 61.34 111.131 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 48.3 p -55.78 135.25 51.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 75.44 111.106 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.56 135.13 51.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 72.02 111.104 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.0 p -71.91 150.2 44.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 62.23 110.849 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -95.76 153.9 17.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 74.42 110.894 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 29.6 t30 -169.58 148.3 3.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 73.21 110.85 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 22.7 p -62.75 175.43 0.83 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 63.23 110.879 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -97.96 113.86 25.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 72.41 111.1 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -78.33 168.21 20.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 71.0 110.897 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 54.1 tt0 -51.91 126.56 18.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 73.42 110.895 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 105.22 -29.73 11.11 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.728 -0.749 . . . . 72.32 112.427 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -64.71 155.09 34.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.918 0.39 . . . . 71.41 110.88 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 23.9 t -89.95 149.41 4.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 61.34 111.128 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 29.5 m -116.99 149.7 39.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 70.33 110.88 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 141.45 -33.15 2.01 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.731 -0.747 . . . . 41.31 112.504 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 48.6 m95 -90.37 46.95 1.38 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.795 0.331 . . . . 74.25 110.925 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 63.51 32.87 85.61 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.765 -0.731 . . . . 63.43 112.479 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -116.73 116.7 28.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.963 0.411 . . . . 62.35 110.827 -179.739 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.04 145.62 25.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 74.33 110.914 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 95.4 m -65.67 147.66 53.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 75.43 110.911 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 43.0 m -64.5 170.87 3.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 73.44 110.848 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 9.4 t60 -56.77 125.73 23.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.177 -0.465 . . . . 72.14 110.852 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 90.51 18.81 47.35 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.749 -0.738 . . . . 73.13 112.509 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 40.5 mt -141.52 160.33 40.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.849 0.357 . . . . 60.51 110.918 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -153.39 159.42 42.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 75.13 110.857 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -116.23 133.85 22.88 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.588 0.709 . . . . 63.11 110.916 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 167.2 25.16 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.691 2.261 . . . . 62.14 112.343 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -96.86 95.34 7.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 74.23 110.952 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -160.41 -174.65 4.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 62.45 111.069 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.44 ' O ' HD13 ' A' ' 71' ' ' ILE . 14.8 m-85 -52.98 -66.14 0.44 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 60.35 110.862 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.44 HD13 ' O ' ' A' ' 70' ' ' PHE . 27.3 mm -125.89 82.59 64.17 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.58 0.705 . . . . 71.15 111.126 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 169.79 18.1 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.704 2.269 . . . . 52.33 112.325 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -143.53 132.1 22.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 74.2 110.944 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 55.5 m -51.35 139.84 18.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 64.22 110.857 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 25.1 pt-20 -158.83 151.83 22.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 74.34 110.88 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -51.44 118.75 3.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 71.11 110.933 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 14.1 p90 -53.0 134.35 38.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 75.12 110.899 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 33.4 ttp180 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.093 -0.503 . . . . 74.02 110.899 179.985 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.467 -0.253 . . . . 61.23 112.467 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -118.05 135.95 53.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.864 0.364 . . . . 64.12 110.87 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 27.2 p -171.98 171.01 5.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 73.13 110.895 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -95.84 130.83 42.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 65.54 111.131 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.83 164.92 11.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 65.33 110.88 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 55.8 tt0 -62.77 128.49 36.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 72.03 110.873 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.56 -28.76 10.26 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.72 -0.752 . . . . 60.23 112.456 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -69.67 160.99 30.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.959 0.409 . . . . 62.44 110.88 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 20.9 t -76.4 150.81 6.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.128 -0.487 . . . . 75.34 111.155 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 17.4 p -114.39 144.85 42.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 64.53 110.867 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 81.2 p -131.86 179.63 5.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 70.14 110.856 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 67.9 t90 -59.82 -41.23 90.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 73.31 110.919 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -86.96 -24.88 36.21 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.796 -0.716 . . . . 73.4 112.493 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -103.68 109.74 21.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.824 0.345 . . . . 74.2 110.881 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 26.5 mmtm -102.87 134.73 45.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 75.43 110.888 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.568 ' HB3' HD23 ' A' ' 19' ' ' LEU . 1.6 t -51.85 144.72 10.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 75.41 110.886 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 33.4 m -65.22 -35.92 82.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 62.35 110.884 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -124.78 83.2 2.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 71.2 110.85 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.568 HD23 ' HB3' ' A' ' 16' ' ' CYS . 65.9 mt -68.16 -35.27 77.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.175 -0.466 . . . . 73.42 110.922 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -58.0 -35.97 72.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 73.31 110.883 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 60.2 m-20 -92.26 -57.73 2.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 73.42 110.934 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -94.6 142.43 27.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 62.32 110.867 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 5.3 p90 -131.59 160.17 36.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 72.14 110.901 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 76.2 m -108.74 89.01 5.83 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.647 0.737 . . . . 43.1 110.864 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 163.15 39.36 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.633 2.222 . . . . 73.31 112.34 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 81.5 mmm -72.45 105.1 4.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 73.13 110.867 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -163.37 171.09 16.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 61.55 110.834 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.419 ' HB2' HD12 ' A' ' 29' ' ' ILE . 74.9 m-85 -51.83 -57.04 10.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 74.34 110.85 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.422 ' HA ' ' HD2' ' A' ' 30' ' ' PRO . 3.8 mp -123.82 102.22 35.31 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.619 0.723 . . . . 71.12 111.129 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 29' ' ' ILE . 54.3 Cg_endo -69.75 123.0 9.67 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.658 2.239 . . . . 74.52 112.384 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 22.8 m80 -116.4 150.46 37.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 72.53 110.849 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 34.3 m -83.7 85.09 7.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 72.33 110.9 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.0 ptmt -119.59 147.1 44.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 54.35 110.906 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 18.8 mtpt -53.71 152.17 5.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 64.41 110.894 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -52.71 149.64 5.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 72.21 110.939 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.6 mtpp -54.71 159.89 3.21 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.58 0.705 . . . . 72.13 110.925 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 166.06 28.87 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.653 2.235 . . . . 71.25 112.364 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 36.5 p90 -52.53 153.78 2.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.259 -0.428 . . . . 74.41 110.879 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.432 HG13 ' HD2' ' A' ' 40' ' ' PRO . 58.7 t -70.76 133.3 86.54 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.602 0.715 . . . . 64.43 111.117 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.432 ' HD2' HG13 ' A' ' 39' ' ' VAL . 54.0 Cg_endo -69.78 160.92 47.92 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.677 2.252 . . . . 41.35 112.37 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.3 t -53.35 143.63 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.424 . . . . 51.33 111.123 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.4 m -53.08 134.52 38.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.466 . . . . 73.02 111.153 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 14.6 t -58.74 173.48 0.41 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 75.32 111.203 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.2 t -70.68 165.58 22.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 73.35 110.882 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -96.67 156.46 16.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 75.43 110.93 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 14.5 p-10 -162.72 143.57 9.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 74.14 110.865 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 17.8 p -61.89 161.63 10.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 70.23 110.889 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.57 112.74 17.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 74.51 111.075 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.0 pttp -75.97 168.66 19.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 60.33 110.888 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.5 tm-20 -51.46 130.04 26.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 64.41 110.902 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 100.18 -29.73 11.6 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.807 -0.711 . . . . 74.12 112.472 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -63.14 154.84 29.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.882 0.372 . . . . 70.25 110.89 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.2 t -90.22 150.76 3.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 72.23 111.135 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 33.7 m -116.37 143.82 45.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 70.52 110.853 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 147.66 -34.02 1.27 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.685 -0.769 . . . . 44.44 112.468 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 23.9 m-90 -91.24 48.25 1.48 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.829 0.347 . . . . 74.44 110.92 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 64.57 32.71 85.1 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.732 -0.747 . . . . 62.12 112.466 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.48 121.33 44.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.95 0.405 . . . . 72.31 110.852 -179.768 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.1 mmtm -106.31 131.35 53.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 62.1 110.864 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 72.9 m -55.42 150.05 12.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 74.34 110.913 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 21.0 m -67.4 167.86 11.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 74.33 110.901 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 13.8 m80 -53.33 128.31 27.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 62.15 110.833 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 97.6 -23.34 36.34 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.742 -0.742 . . . . 75.44 112.425 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.476 HD23 ' HA ' ' A' ' 76' ' ' LYS . 13.8 mt -101.8 160.12 14.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.842 0.353 . . . . 63.01 110.917 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -151.63 159.2 44.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 64.55 110.938 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -115.74 131.03 23.89 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.608 0.718 . . . . 55.33 110.873 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 166.63 26.96 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.682 2.255 . . . . 64.23 112.361 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 8.8 mp -97.28 95.44 7.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 63.51 110.95 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -159.13 -174.66 4.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 73.42 111.088 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -52.08 -64.85 0.68 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 72.44 110.868 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 4.3 mp -128.8 82.83 67.88 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.614 0.721 . . . . 73.04 111.128 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 169.72 18.26 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.653 2.235 . . . . 61.14 112.343 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 42.4 m-85 -143.85 131.88 21.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 61.33 110.902 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 56.6 m -51.54 136.86 25.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.096 -0.502 . . . . 61.24 110.868 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -156.7 145.01 19.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.155 -0.475 . . . . 65.01 110.892 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.476 ' HA ' HD23 ' A' ' 64' ' ' LEU . 28.3 mmmt -51.78 119.0 3.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 72.42 110.854 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -52.65 127.5 23.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 61.12 110.925 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 74.05 110.817 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.519 -0.233 . . . . 71.52 112.519 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -102.23 164.35 11.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.832 0.349 . . . . 74.3 110.888 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 17.8 p -170.3 156.64 5.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 61.44 110.871 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -91.9 141.39 28.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 62.3 111.092 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 53.7 mtpt -65.19 172.89 2.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 75.21 110.908 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 74.9 tt0 -69.31 124.44 23.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.249 -0.432 . . . . 73.1 110.86 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.76 -28.74 9.6 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 30.02 112.473 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -63.06 147.26 51.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.879 0.371 . . . . 55.51 110.878 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 90.0 t -63.98 144.58 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 71.05 111.084 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 18.5 p -114.04 142.44 46.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 71.14 110.908 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 86.4 p -126.4 -170.05 2.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 61.22 110.888 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 69.9 p-90 -61.11 -35.94 78.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.148 -0.478 . . . . 74.2 110.893 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -96.63 -24.84 12.8 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.723 -0.751 . . . . 70.34 112.538 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.92 108.14 19.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.863 0.363 . . . . 74.53 110.9 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.1 mtpp -107.49 140.74 40.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 73.34 110.916 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 75.1 m -52.31 124.21 12.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 53.21 110.843 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -52.18 -38.8 58.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 71.11 110.904 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -105.54 95.46 5.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 70.25 110.835 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 66.3 mt -82.07 -36.77 27.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 63.5 110.908 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -61.22 -36.52 80.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 64.31 110.844 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 31.0 m120 -97.41 -58.48 2.0 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 73.54 110.91 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -95.29 169.19 10.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 73.2 110.842 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 2.8 p90 -164.89 176.85 8.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 74.3 110.895 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 70.8 m -108.32 88.68 5.12 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.665 0.745 . . . . 65.12 110.928 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 167.42 24.42 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.707 2.272 . . . . 74.44 112.324 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 54.3 mmm -86.2 105.7 16.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 74.4 110.946 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -163.28 170.74 17.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 74.44 110.93 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -51.97 -48.82 64.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 73.24 110.888 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.401 ' HA ' ' HD2' ' A' ' 30' ' ' PRO . 2.6 mt -123.73 102.13 35.69 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.574 0.702 . . . . 73.44 111.154 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 29' ' ' ILE . 53.3 Cg_endo -69.83 121.24 7.92 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.631 2.221 . . . . 70.32 112.349 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 34.3 m170 -112.37 177.59 4.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 75.32 110.869 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 53.0 m -113.01 58.88 0.65 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 51.43 110.912 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.1 ptpt -113.39 170.88 7.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 74.05 110.927 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.3 ttmm -79.69 156.44 27.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 73.45 110.914 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -52.04 157.47 1.3 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 71.1 110.921 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 50.7 mtpt -77.22 159.93 76.83 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.587 0.708 . . . . 74.24 110.901 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 166.02 29.1 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.693 2.262 . . . . 73.22 112.328 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 47.2 p90 -54.93 139.51 40.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 75.34 110.931 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.437 HG13 ' HD2' ' A' ' 40' ' ' PRO . 58.3 t -97.61 133.27 23.78 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.634 0.731 . . . . 74.41 111.124 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.437 ' HD2' HG13 ' A' ' 39' ' ' VAL . 53.7 Cg_endo -69.73 157.44 60.46 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.676 2.25 . . . . 61.24 112.359 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 43.4 t -59.95 136.77 23.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 64.12 111.119 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.2 p -112.71 142.96 44.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 71.43 111.171 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.7 p -58.35 -33.81 69.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 72.12 111.112 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 42.1 t -77.54 157.19 30.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 73.43 110.861 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -80.27 128.76 33.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 71.33 110.909 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -142.71 116.92 9.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 53.41 110.921 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 9.0 p -120.77 160.56 23.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 52.54 110.918 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -76.93 112.43 13.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 73.32 111.051 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 44.5 mtpt -76.1 167.53 21.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 72.22 110.845 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -51.61 128.47 23.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 74.13 110.895 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 103.05 -29.7 11.92 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.792 -0.718 . . . . 54.54 112.496 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -63.99 155.98 29.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.901 0.382 . . . . 62.02 110.906 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 22.1 t -91.51 149.61 4.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.163 -0.471 . . . . 74.15 111.138 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 28.4 m -116.27 142.94 46.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 73.03 110.839 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 152.25 -33.81 0.85 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.779 -0.724 . . . . 53.43 112.518 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 33.8 m95 -90.62 46.81 1.36 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.831 0.348 . . . . 74.24 110.916 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 63.54 32.63 84.82 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.716 -0.754 . . . . 74.23 112.528 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -116.83 118.07 31.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.905 0.383 . . . . 64.32 110.871 -179.723 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.53 156.14 16.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 73.53 110.889 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 77.6 m -77.18 149.94 35.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 74.51 110.905 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 30.7 m -64.0 169.13 4.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 64.24 110.913 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 17.3 t-80 -53.85 128.34 29.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 73.23 110.865 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 96.61 -23.15 36.51 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.74 -0.743 . . . . 71.04 112.488 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.444 HD23 ' HA ' ' A' ' 76' ' ' LYS . 22.6 mt -101.79 160.52 14.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.804 0.335 . . . . 75.33 110.92 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -154.21 160.76 42.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 73.44 110.861 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -115.69 132.02 23.37 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.6 0.714 . . . . 71.23 110.914 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 167.0 25.74 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.714 2.276 . . . . 44.45 112.328 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 57.5 mt -97.08 95.4 7.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 72.44 110.945 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -160.06 -174.53 4.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 72.14 111.086 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.479 ' O ' HD13 ' A' ' 71' ' ' ILE . 16.0 m-85 -52.42 -66.13 0.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 60.34 110.877 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.479 HD13 ' O ' ' A' ' 70' ' ' PHE . 32.3 mm -126.84 82.88 66.78 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.655 0.741 . . . . 52.3 111.171 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 169.68 18.33 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.654 2.236 . . . . 64.31 112.38 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 45.4 m-85 -143.96 131.8 21.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 73.02 110.899 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 54.9 m -51.43 136.45 25.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 73.23 110.873 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -156.78 148.09 22.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 64.25 110.93 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.444 ' HA ' HD23 ' A' ' 64' ' ' LEU . 18.1 mmmt -51.39 118.8 3.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 74.45 110.903 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 29.3 t80 -53.35 122.08 8.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 74.25 110.889 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.058 -0.519 . . . . 75.41 110.877 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 N-CA-C 112.482 -0.247 . . . . 71.52 112.482 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -130.25 78.27 1.83 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.926 0.394 . . . . 75.15 110.864 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 17.4 p -171.11 156.71 4.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 51.52 110.924 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -89.86 126.68 35.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 50.01 111.132 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 21.3 mmmt -64.09 175.36 1.26 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 62.15 110.927 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 54.1 tt0 -63.96 126.92 29.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.426 . . . . 74.22 110.871 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.76 -28.69 9.72 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.738 -0.744 . . . . 61.04 112.507 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 57.7 mm-40 -62.11 160.51 12.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.883 0.373 . . . . 63.11 110.866 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.506 HG13 ' O ' ' A' ' 30' ' ' PRO . 90.4 t -83.89 144.64 9.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 63.15 111.106 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 18.2 p -111.19 142.42 43.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.467 . . . . 62.3 110.915 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 58.0 p -136.45 -169.97 2.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 55.21 110.849 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 6.5 t90 -62.48 -35.67 80.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.49 . . . . 73.45 110.883 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -96.2 -24.87 13.56 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.744 -0.741 . . . . 72.33 112.48 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.57 108.53 19.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.875 0.369 . . . . 74.14 110.847 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.5 mmmm -106.88 134.0 50.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 63.15 110.884 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.642 ' HB3' HD23 ' A' ' 19' ' ' LEU . 0.9 OUTLIER -52.03 153.14 2.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 75.14 110.865 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -81.79 -36.03 28.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 73.15 110.883 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -109.11 59.75 0.6 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.198 -0.455 . . . . 54.5 110.889 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.642 HD23 ' HB3' ' A' ' 16' ' ' CYS . 64.9 mt -52.54 -34.88 52.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.44 . . . . 70.31 110.914 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -58.53 -34.51 71.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 71.41 110.913 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.7 m-80 -94.12 -60.93 1.62 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 74.04 110.895 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -94.8 153.16 17.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 74.44 110.888 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -136.16 176.84 8.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 72.22 110.949 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 86.6 m -108.32 88.86 5.27 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.633 0.73 . . . . 63.34 110.852 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 161.56 45.45 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.663 2.242 . . . . 42.42 112.353 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 11.8 ttm -83.42 104.37 13.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 73.35 110.89 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -163.11 170.53 17.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 73.42 110.935 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -52.03 -55.36 21.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.478 . . . . 62.01 110.826 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.406 ' HA ' ' HD2' ' A' ' 30' ' ' PRO . 3.4 mp -123.84 102.19 35.26 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.635 0.731 . . . . 61.41 111.125 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.506 ' O ' HG13 ' A' ' 9' ' ' VAL . 54.0 Cg_endo -69.74 149.45 67.03 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.703 2.269 . . . . 74.43 112.331 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.451 ' CD2' HG22 ' A' ' 9' ' ' VAL . 34.2 m80 -143.04 167.08 22.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 74.45 110.885 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 34.9 m -97.41 68.47 2.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 71.15 110.912 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.2 pttp -113.4 142.79 45.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 73.35 110.929 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.9 ttpt -60.68 148.59 38.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 75.52 110.896 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -51.9 157.21 1.29 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 71.31 110.937 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.89 157.53 78.97 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.612 0.72 . . . . 73.31 110.874 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 166.03 28.97 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.689 2.259 . . . . 75.13 112.36 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -85.28 130.73 34.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 74.24 110.953 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.441 HG13 ' HD2' ' A' ' 40' ' ' PRO . 58.0 t -102.28 133.31 20.66 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.607 0.717 . . . . 72.43 111.098 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.441 ' HD2' HG13 ' A' ' 39' ' ' VAL . 53.8 Cg_endo -69.75 162.79 40.72 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.69 2.26 . . . . 72.43 112.372 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 40.2 t -51.49 123.01 2.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 72.31 111.097 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.79 162.36 13.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 64.44 111.143 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 68.3 p -51.7 170.03 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 45.25 111.167 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -61.3 140.44 57.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 71.24 110.835 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -100.9 162.38 12.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 75.22 110.889 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -149.55 137.23 20.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 74.11 110.913 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 16.2 p -61.8 156.76 19.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 74.22 110.869 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.99 112.74 10.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 72.35 111.139 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -76.5 168.45 20.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 64.12 110.887 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -51.5 129.05 24.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.243 -0.435 . . . . 63.54 110.906 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 101.33 -29.8 11.74 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.8 -0.714 . . . . 64.23 112.533 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -61.95 156.05 22.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.859 0.362 . . . . 73.51 110.885 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 39.7 t -90.7 148.38 4.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 74.54 111.13 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 26.7 m -116.49 155.37 28.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 73.04 110.883 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 138.07 -36.44 1.92 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.766 -0.731 . . . . 43.55 112.469 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 56.3 m95 -91.93 51.26 1.8 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.795 0.331 . . . . 74.31 110.896 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 63.45 32.72 85.1 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.725 -0.75 . . . . 35.23 112.472 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -110.07 116.76 32.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.929 0.395 . . . . 75.34 110.855 -179.72 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.3 mmmm -103.44 130.1 50.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 61.33 110.898 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 76.0 m -58.51 150.51 22.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.273 -0.421 . . . . 71.45 110.902 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.48 ' HB2' HD12 ' A' ' 64' ' ' LEU . 30.5 m -64.06 166.03 8.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 71.12 110.883 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 7.7 t-160 -51.9 127.33 20.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 73.34 110.854 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 97.92 -23.28 36.71 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.742 -0.742 . . . . 64.14 112.53 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.59 HD23 ' N ' ' A' ' 76' ' ' LYS . 8.2 mt -101.56 160.31 14.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.817 0.341 . . . . 65.31 110.938 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -154.85 160.93 41.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.188 -0.46 . . . . 61.13 110.868 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -114.68 134.73 22.35 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.656 0.741 . . . . 74.41 110.852 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 167.61 23.87 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.713 2.275 . . . . 71.14 112.378 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 92.2 mt -97.01 95.19 7.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.429 . . . . 74.13 110.943 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -160.43 -174.37 4.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 71.32 111.101 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.603 ' HB3' HD12 ' A' ' 71' ' ' ILE . 4.5 m-85 -53.22 -66.27 0.42 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 70.11 110.873 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.603 HD12 ' HB3' ' A' ' 70' ' ' PHE . 4.0 mp -125.44 82.5 62.84 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.6 0.715 . . . . 71.11 111.114 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 169.9 17.74 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.68 2.253 . . . . 72.52 112.361 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -144.11 133.24 22.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 61.43 110.867 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 55.4 m -51.32 141.23 15.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.108 -0.496 . . . . 72.4 110.893 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -161.6 143.26 11.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 75.21 110.865 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.59 ' N ' HD23 ' A' ' 64' ' ' LEU . 68.9 mmtt -51.54 118.89 3.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 73.24 110.905 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 67.7 t80 -57.24 128.16 35.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 71.4 110.951 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 21.7 ttt180 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 74.53 110.924 -179.996 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.449 -0.26 . . . . 43.43 112.449 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -87.58 154.73 20.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.827 0.346 . . . . 61.14 110.882 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 20.7 p -170.81 170.54 6.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 71.44 110.874 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -104.94 125.69 51.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 71.01 111.077 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.7 mmmp? -58.09 161.95 3.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 53.32 110.888 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 64.2 tt0 -58.65 126.36 27.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 75.01 110.925 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.44 -28.72 11.18 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.713 -0.755 . . . . 52.0 112.465 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 48.3 mm-40 -72.6 143.63 48.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.892 0.377 . . . . 75.15 110.913 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.5 t -62.36 150.25 8.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 45.53 111.148 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 31.7 p -118.39 137.69 52.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 74.33 110.914 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 61.7 p -117.17 -172.98 2.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 74.45 110.835 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 27.9 t90 -60.23 -35.83 76.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 74.15 110.922 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -94.77 -24.85 16.5 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.743 -0.742 . . . . 61.43 112.475 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -103.72 110.67 22.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.881 0.372 . . . . 60.41 110.902 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.2 mmtm -107.5 146.66 31.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 73.2 110.885 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 87.9 m -53.03 129.31 30.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 65.22 110.874 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 62.2 m -52.15 -37.8 55.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 75.21 110.9 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -111.21 102.65 11.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 73.25 110.871 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 62.2 mt -84.34 -36.11 22.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 74.43 110.92 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -59.78 -38.24 81.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 64.11 110.872 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 53.0 m-80 -97.96 -58.45 1.98 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 73.34 110.911 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -94.65 170.12 9.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 70.25 110.899 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 17.4 p90 -170.89 176.58 4.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.162 -0.472 . . . . 73.45 110.936 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 68.6 m -109.23 85.18 3.26 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.64 0.733 . . . . 74.03 110.878 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 166.88 26.14 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.715 2.276 . . . . 51.21 112.33 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 12.2 ttm -80.71 105.64 12.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 64.1 110.887 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -163.14 170.58 17.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 74.42 110.905 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.529 ' HB2' HD12 ' A' ' 29' ' ' ILE . 65.0 m-85 -51.96 -54.76 25.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 71.33 110.922 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.529 HD12 ' HB2' ' A' ' 28' ' ' PHE . 3.9 mp -123.83 102.29 35.2 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.603 0.716 . . . . 65.21 111.141 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 29' ' ' ILE . 53.6 Cg_endo -69.78 123.2 9.87 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.692 2.261 . . . . 72.15 112.364 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 32.5 m80 -116.11 162.55 17.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 71.01 110.877 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 63.7 m -101.05 45.54 0.97 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 75.04 110.837 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.2 tppt? -113.31 130.88 56.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 74.04 110.907 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.8 ptmt -56.83 126.49 27.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 71.13 110.917 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -87.5 158.1 19.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 75.15 110.953 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.3 mtmm -69.66 153.7 95.41 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.549 0.69 . . . . 72.24 110.911 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 125.02 11.68 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.677 2.251 . . . . 74.41 112.359 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -58.2 140.83 52.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 60.13 110.936 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.445 HG13 ' HD2' ' A' ' 40' ' ' PRO . 58.7 t -105.32 133.27 20.25 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.661 0.743 . . . . 73.12 111.101 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.445 ' HD2' HG13 ' A' ' 39' ' ' VAL . 53.8 Cg_endo -69.78 150.37 68.01 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.653 2.235 . . . . 71.32 112.341 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.8 t -71.69 130.29 35.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.45 . . . . 71.42 111.16 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 19.1 p -116.41 162.4 17.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 72.2 111.12 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 20.7 p -104.46 77.78 1.42 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 55.14 111.113 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.9 t -89.11 166.06 14.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 54.24 110.877 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -69.21 129.12 38.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 75.43 110.883 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 59.8 t30 -174.06 156.56 2.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 74.44 110.887 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 17.6 p -61.82 163.11 7.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 53.11 110.876 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.443 ' HB1' ' HB2' ' A' ' 52' ' ' GLU . . . -87.01 110.29 19.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 50.41 111.115 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.58 170.3 14.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 62.22 110.914 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -50.63 127.33 17.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 75.45 110.834 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 100.3 -28.27 16.55 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.765 -0.731 . . . . 64.22 112.496 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.443 ' HB2' ' HB1' ' A' ' 48' ' ' ALA . 36.2 mm-40 -63.92 148.28 49.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.87 0.367 . . . . 51.55 110.872 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 16.5 t -82.09 153.74 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 71.12 111.145 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 9.7 m -115.29 178.35 4.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 60.41 110.889 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 92.42 -39.16 3.04 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.736 -0.745 . . . . 53.52 112.466 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 80.4 m95 -85.09 52.67 2.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.758 0.313 . . . . 70.21 110.945 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 63.06 28.9 72.87 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.75 -0.738 . . . . 72.05 112.533 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.15 116.61 27.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.93 0.395 . . . . 74.55 110.827 -179.693 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -107.19 124.19 49.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 72.15 110.874 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 70.7 m -51.31 137.46 23.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 73.14 110.918 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 59.2 m -51.27 162.19 0.35 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 63.44 110.853 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 15.3 t-80 -52.95 112.53 0.87 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 62.54 110.822 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 109.22 -23.2 23.54 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.724 -0.751 . . . . 73.31 112.481 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.469 HD23 ' HA ' ' A' ' 76' ' ' LYS . 26.0 mt -97.86 154.01 17.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.853 0.359 . . . . 73.2 110.878 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -157.49 152.85 26.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 74.41 110.892 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 4.3 p -118.22 152.72 50.99 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.688 0.756 . . . . 63.44 110.839 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 169.11 19.67 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.714 2.276 . . . . 72.22 112.338 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 22.5 mt -96.18 104.76 16.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.447 . . . . 74.51 110.908 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -165.69 -173.81 2.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.169 -0.469 . . . . 62.23 111.099 179.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -56.4 -67.07 0.33 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 73.42 110.859 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.453 HG22 ' CE1' ' A' ' 73' ' ' TYR . 18.9 mm -112.6 80.32 3.61 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.63 0.729 . . . . 75.34 111.124 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 163.69 37.29 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.671 2.247 . . . . 63.15 112.321 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.453 ' CE1' HG22 ' A' ' 71' ' ' ILE . 48.3 m-85 -144.94 130.25 18.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 74.54 110.945 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 68.0 m -60.4 135.07 57.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 55.11 110.892 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -145.19 155.43 43.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 74.34 110.869 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.469 ' HA ' HD23 ' A' ' 64' ' ' LEU . 50.2 mmtt -51.54 118.59 3.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 61.02 110.866 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -89.92 131.81 35.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.245 -0.434 . . . . 71.45 110.881 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 28.8 mtt85 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 61.4 110.896 -179.964 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.491 -0.244 . . . . 75.02 112.491 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -119.43 88.59 2.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.914 0.388 . . . . 75.44 110.897 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 28.9 p -170.34 165.19 8.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 71.53 110.872 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -102.15 131.31 48.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 73.42 111.109 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.77 168.47 1.22 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 71.41 110.929 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 59.6 tt0 -68.25 123.26 20.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 74.44 110.892 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.99 -28.74 14.51 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.703 -0.76 . . . . 62.23 112.444 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -71.27 160.87 32.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.886 0.374 . . . . 75.3 110.897 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 t -73.28 149.91 8.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 64.25 111.175 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 20.2 p -122.78 143.24 49.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 63.34 110.861 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.9 p -129.01 -174.75 3.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 72.11 110.876 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 20.8 t90 -57.59 -38.49 74.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 74.11 110.902 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -92.87 -24.77 22.12 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.749 -0.739 . . . . 74.44 112.504 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.51 106.78 17.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.827 0.346 . . . . 71.13 110.902 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.34 145.81 32.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 72.13 110.904 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 73.7 m -55.8 135.34 51.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 54.21 110.882 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 63.3 m -52.43 -36.23 53.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 64.4 110.893 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -115.25 103.63 11.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 73.21 110.902 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 56.8 mt -81.88 -36.26 28.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 71.1 110.909 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -62.14 -36.27 81.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.199 -0.455 . . . . 73.23 110.834 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -97.03 -56.51 2.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 74.32 110.89 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -95.64 163.24 13.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 64.32 110.895 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 9.8 p90 -161.09 176.62 11.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 72.34 110.925 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 82.9 m -108.75 87.49 4.48 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.65 0.738 . . . . 65.24 110.927 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 165.48 30.8 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.688 2.259 . . . . 71.55 112.35 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 12.3 mtp -85.94 105.75 16.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 73.14 110.903 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -163.29 175.45 10.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 73.52 110.875 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -52.09 -56.92 11.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 72.02 110.846 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.407 ' HA ' ' HD2' ' A' ' 30' ' ' PRO . 3.9 mp -123.79 102.15 35.49 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.597 0.713 . . . . 54.32 111.14 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 29' ' ' ILE . 54.3 Cg_endo -69.71 121.28 7.99 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.697 2.265 . . . . 74.33 112.336 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 31.1 m80 -113.67 168.14 10.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 71.23 110.861 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 47.1 m -100.03 64.32 1.22 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 63.13 110.894 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.3 tppt? -113.41 160.14 18.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 73.3 110.928 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.2 ptpt -71.97 160.26 32.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 72.31 110.895 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -52.03 158.01 1.17 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 73.22 110.901 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 22.1 mmmt -97.39 159.12 31.93 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.608 0.718 . . . . 71.31 110.869 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 165.98 29.16 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.667 2.245 . . . . 71.54 112.356 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 48.4 p90 -52.11 148.72 5.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 71.32 110.865 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.446 HG13 ' HD2' ' A' ' 40' ' ' PRO . 58.4 t -104.13 133.26 20.32 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.652 0.739 . . . . 74.31 111.105 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.446 ' HD2' HG13 ' A' ' 39' ' ' VAL . 53.5 Cg_endo -69.75 162.67 41.16 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.702 2.268 . . . . 74.32 112.313 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 39.6 t -51.75 126.55 7.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 70.24 111.119 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.2 p -108.84 162.38 14.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 74.12 111.168 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 9.5 t -51.87 -33.62 37.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 60.34 111.139 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 49.3 m -67.27 165.99 15.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 74.3 110.834 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -96.41 161.93 13.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.096 -0.502 . . . . 71.54 110.841 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -161.63 149.06 14.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 71.53 110.87 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 17.6 p -62.6 160.61 13.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 75.22 110.9 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -77.74 110.5 12.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 31.5 111.118 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.4 167.57 20.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 63.04 110.873 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -51.88 127.89 22.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 64.2 110.919 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 103.04 -30.04 11.23 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.749 -0.739 . . . . 63.43 112.474 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -62.38 154.8 27.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.924 0.392 . . . . 65.51 110.876 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 22.0 t -90.18 149.69 3.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 65.31 111.139 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 29.1 m -116.56 146.65 42.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 65.31 110.929 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 152.77 -33.49 0.81 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.718 -0.753 . . . . 75.14 112.48 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 77.3 m95 -91.41 45.98 1.27 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.802 0.334 . . . . 74.1 110.909 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 64.12 32.68 85.01 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.797 -0.716 . . . . 42.53 112.478 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -108.8 116.6 32.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.906 0.384 . . . . 75.0 110.899 -179.766 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.8 mmmm -98.78 131.4 44.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 74.51 110.922 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 73.7 m -54.55 153.38 5.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 63.22 110.901 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 20.4 m -67.77 167.22 13.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.472 . . . . 71.12 110.849 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 6.1 p-80 -51.93 128.63 24.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 71.54 110.875 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 95.55 -23.46 33.76 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.679 -0.772 . . . . 71.43 112.498 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.441 HD23 ' HA ' ' A' ' 76' ' ' LYS . 23.4 mt -100.53 160.15 14.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.809 0.337 . . . . 74.04 110.902 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -152.73 158.65 42.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 75.1 110.849 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -115.22 130.84 23.92 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.589 0.709 . . . . 70.52 110.862 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 166.95 25.83 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.653 2.235 . . . . 74.41 112.338 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -97.01 95.41 7.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 51.53 110.906 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -159.73 -175.16 4.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 62.13 111.117 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -52.73 -64.74 0.72 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 74.5 110.871 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 4.1 mp -127.72 82.65 67.94 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.629 0.728 . . . . 73.11 111.147 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 169.66 18.48 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.653 2.235 . . . . 71.22 112.329 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 42.4 m-85 -143.46 130.76 20.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 72.22 110.968 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 55.6 m -51.75 136.32 27.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 55.11 110.877 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -156.23 146.54 21.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 73.05 110.929 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.441 ' HA ' HD23 ' A' ' 64' ' ' LEU . 8.2 mmmm -51.3 119.21 3.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.174 -0.466 . . . . 72.33 110.898 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 61.5 t80 -54.65 131.67 43.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 74.43 110.887 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 18.1 mmt180 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 71.33 110.812 -179.961 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.474 -0.25 . . . . 54.42 112.474 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 60.21 39.41 19.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.9 0.381 . . . . 73.14 110.898 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 31.8 p -169.24 152.75 5.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 73.15 110.884 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -83.72 122.28 28.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 63.21 111.11 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.7 mmmt -58.68 169.35 0.97 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 74.13 110.929 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 53.5 tt0 -59.2 118.43 5.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 51.35 110.89 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.05 -28.73 9.88 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.759 -0.734 . . . . 73.33 112.449 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -62.41 144.51 55.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.913 0.387 . . . . 65.34 110.887 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.544 HG22 ' HD2' ' A' ' 31' ' ' HIS . 21.9 t -63.0 145.08 13.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 72.54 111.115 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 20.0 p -121.07 137.49 54.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.467 . . . . 74.21 110.9 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 86.1 p -120.96 -172.65 2.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 73.05 110.876 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 68.4 t90 -57.19 -36.85 71.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 71.33 110.901 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -94.01 -24.88 18.63 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.768 -0.73 . . . . 52.03 112.527 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.73 106.52 17.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.782 0.325 . . . . 75.34 110.884 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? -107.45 145.55 32.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.265 -0.425 . . . . 60.41 110.914 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 68.4 m -56.94 130.81 47.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 74.4 110.919 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -52.14 -40.46 61.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 65.2 110.884 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -110.74 98.05 7.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 75.0 110.866 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 58.7 mt -76.69 -35.14 58.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 73.42 110.886 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -59.72 -35.7 75.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 72.13 110.834 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -96.64 -59.83 1.73 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 72.41 110.894 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -94.64 162.52 13.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 61.21 110.904 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 4.3 p90 -163.67 165.19 23.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.187 -0.461 . . . . 73.44 110.936 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 27.3 m -108.39 89.75 6.29 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.621 0.724 . . . . 70.51 110.859 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 165.42 31.11 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.615 2.21 . . . . 73.12 112.358 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 30.9 ttm -73.3 106.04 4.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 65.33 110.921 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -163.34 173.39 13.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.26 -0.427 . . . . 73.22 110.85 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -51.87 -57.03 10.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 74.31 110.894 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.4 mp -123.93 102.1 35.06 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.595 0.712 . . . . 64.1 111.107 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 121.75 8.43 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.67 2.246 . . . . 73.32 112.331 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.544 ' HD2' HG22 ' A' ' 9' ' ' VAL . 22.4 m80 -115.02 177.81 4.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 71.05 110.878 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 63.5 m -104.06 72.13 1.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 75.42 110.922 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 31.4 ttmt -113.36 137.21 51.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 62.51 110.894 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 16.9 ttmt -57.09 157.31 6.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 72.04 110.925 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -61.65 157.45 17.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 74.02 110.921 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 22.4 mmtp -106.42 159.12 30.9 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.582 0.706 . . . . 74.13 110.881 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 166.03 29.0 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.623 2.215 . . . . 74.51 112.338 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -57.0 145.5 30.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 71.5 110.942 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.441 HG13 ' HD2' ' A' ' 40' ' ' PRO . 58.7 t -134.44 133.32 21.45 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.622 0.725 . . . . 62.33 111.138 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.441 ' HD2' HG13 ' A' ' 39' ' ' VAL . 53.7 Cg_endo -69.83 149.4 66.38 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.632 2.221 . . . . 74.13 112.349 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 40.9 t -60.2 128.58 21.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 50.02 111.115 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 21.9 p -122.72 155.56 36.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 62.24 111.13 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.42 135.6 56.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 54.31 111.133 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.1 m -72.01 127.26 32.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 65.02 110.853 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -100.95 136.7 40.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 70.41 110.875 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -134.93 35.25 3.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.08 -0.509 . . . . 54.44 110.876 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 12.5 p -135.33 159.66 40.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 65.31 110.898 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -76.52 112.15 12.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 40.01 111.088 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.4 pttp -75.37 167.55 21.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 73.2 110.867 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -51.71 128.9 24.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 73.34 110.916 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 102.53 -29.88 11.57 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.775 -0.726 . . . . 70.35 112.497 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -63.98 155.37 31.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.917 0.389 . . . . 72.31 110.856 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.6 t -90.93 150.31 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 72.1 111.129 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 33.1 m -116.16 144.59 43.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 61.15 110.837 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 153.42 -33.62 0.77 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.713 -0.756 . . . . 45.11 112.469 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 71.1 m95 -91.58 45.81 1.25 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.791 0.329 . . . . 72.42 110.925 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 64.52 32.62 84.8 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.729 -0.748 . . . . 72.25 112.491 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -109.83 116.74 32.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.9 0.381 . . . . 74.14 110.891 -179.742 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.9 mmmm -99.32 134.07 42.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 62.05 110.862 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 72.0 m -57.51 151.58 16.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 65.55 110.897 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 28.1 m -66.36 170.1 6.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 52.2 110.893 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 8.1 t-160 -55.06 127.87 31.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 72.32 110.86 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 97.11 -23.29 36.38 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.763 -0.732 . . . . 51.25 112.477 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 76' ' ' LYS . 28.9 mt -100.65 160.4 14.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.771 0.32 . . . . 73.32 110.952 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -151.37 160.87 43.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.443 . . . . 61.43 110.88 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -119.28 129.03 25.61 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.603 0.716 . . . . 64.33 110.871 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 166.48 27.42 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.712 2.275 . . . . 61.44 112.333 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 8.8 mp -97.46 95.31 7.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 72.42 110.939 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -158.45 -174.63 4.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 73.33 111.107 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -51.79 -64.31 0.85 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 74.23 110.891 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 4.1 mp -129.99 83.11 64.61 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.626 0.727 . . . . 75.51 111.115 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 169.65 18.43 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.673 2.249 . . . . 52.44 112.331 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 41.5 m-85 -143.67 131.06 20.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 74.25 110.932 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 56.1 m -51.7 135.57 28.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.07 -0.513 . . . . 65.05 110.917 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 20.6 pt-20 -155.49 148.63 24.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 74.45 110.854 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.427 ' HA ' HD23 ' A' ' 64' ' ' LEU . 30.3 mmtp -51.81 118.96 3.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 75.12 110.913 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -66.43 122.27 17.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 65.34 110.871 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 18.2 mmt180 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.065 -0.516 . . . . 74.13 110.888 -179.982 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.54 -0.224 . . . . 74.33 112.54 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -131.68 72.81 1.51 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.863 0.363 . . . . 71.25 110.889 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 21.1 p -171.4 169.75 6.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 71.3 110.891 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -93.32 136.79 33.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 74.1 111.137 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.8 ttmt -59.98 171.97 0.86 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.268 -0.424 . . . . 72.11 110.95 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 65.4 tt0 -62.8 117.67 6.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 75.04 110.892 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.76 -28.66 10.73 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.774 -0.727 . . . . 71.33 112.482 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -55.05 160.68 1.96 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.887 0.375 . . . . 72.24 110.854 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.457 HG13 ' O ' ' A' ' 30' ' ' PRO . 21.6 t -74.94 150.16 7.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.49 . . . . 61.32 111.13 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.1 p -121.12 142.15 50.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 72.42 110.876 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 77.5 p -128.76 -173.62 3.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 60.25 110.886 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 68.9 p-90 -59.58 -35.74 74.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 73.43 110.887 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -95.79 -24.86 14.34 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.764 -0.732 . . . . 14.13 112.481 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.5 tppt? -103.64 113.55 27.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.857 0.361 . . . . 62.12 110.892 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.41 164.53 12.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 75.12 110.95 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 51.2 m -86.41 122.2 30.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.433 . . . . 75.11 110.93 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -52.14 -36.24 50.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 75.51 110.91 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -102.88 88.72 3.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 72.3 110.871 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 63.3 mt -80.5 -36.07 33.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 75.35 110.91 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -63.83 -36.08 82.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 74.22 110.877 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -95.03 -58.82 2.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 73.14 110.862 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -94.77 168.02 11.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 73.44 110.872 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -157.72 176.73 12.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.197 -0.456 . . . . 73.41 110.957 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 63.5 m -108.46 88.73 5.29 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.64 0.733 . . . . 64.12 110.886 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 143.28 50.68 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.673 2.249 . . . . 73.01 112.358 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -74.45 104.43 5.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 73.23 110.844 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -163.38 177.17 9.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 74.41 110.874 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.477 ' HB2' HD12 ' A' ' 29' ' ' ILE . 51.3 m-85 -52.01 -57.03 10.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.473 . . . . 73.52 110.866 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.477 HD12 ' HB2' ' A' ' 28' ' ' PHE . 3.9 mp -123.82 102.13 35.4 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.601 0.715 . . . . 62.2 111.16 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.457 ' O ' HG13 ' A' ' 9' ' ' VAL . 54.0 Cg_endo -69.73 146.99 62.04 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.689 2.259 . . . . 55.2 112.358 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 36.3 m80 -142.31 139.89 31.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.26 -0.427 . . . . 73.43 110.861 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 80.5 m -76.67 67.11 2.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 71.23 110.871 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.6 ptpt -115.78 169.92 8.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 75.22 110.876 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.2 mmmt -64.75 160.2 20.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 43.24 110.857 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -52.01 153.47 2.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 64.34 110.878 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.9 mtpp -104.22 159.88 27.89 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.563 0.696 . . . . 73.3 110.903 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 166.01 29.03 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.688 2.259 . . . . 65.04 112.328 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 33.2 m-85 -51.97 144.13 12.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.472 . . . . 74.14 110.927 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.425 HG13 ' HD2' ' A' ' 40' ' ' PRO . 58.7 t -87.26 133.24 39.1 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.574 0.702 . . . . 72.33 111.15 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.425 ' HD2' HG13 ' A' ' 39' ' ' VAL . 54.1 Cg_endo -69.71 162.82 40.57 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.692 2.261 . . . . 62.4 112.35 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 39.7 t -51.74 127.34 8.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.45 . . . . 74.52 111.071 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 75.2 p -105.29 162.37 13.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 72.4 111.121 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.77 166.43 0.14 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 73.41 111.098 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.1 t -68.13 158.74 32.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 65.15 110.803 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -97.53 162.39 13.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 74.53 110.847 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -152.54 139.73 19.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.098 -0.501 . . . . 71.13 110.86 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 20.3 p -61.86 160.5 11.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.481 . . . . 64.05 110.885 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.0 111.58 15.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 74.44 111.119 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 25.4 mmtp -74.96 169.13 18.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 73.31 110.873 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -51.79 129.37 26.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 73.04 110.886 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 101.12 -29.98 11.36 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.695 -0.764 . . . . 71.34 112.479 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -62.74 155.1 27.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.946 0.403 . . . . 65.11 110.851 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.421 HG22 ' CE1' ' A' ' 73' ' ' TYR . 21.2 t -92.18 150.55 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 73.31 111.103 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 28.0 m -116.12 144.15 44.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 64.53 110.85 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 155.02 -33.37 0.66 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.692 -0.766 . . . . 61.15 112.462 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 76.8 m95 -91.68 46.08 1.26 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.804 0.335 . . . . 62.11 110.95 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 63.62 32.77 85.3 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.779 -0.724 . . . . 64.11 112.481 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -110.12 117.3 33.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.911 0.386 . . . . 74.13 110.863 -179.762 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.8 mmmm -98.64 136.41 38.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 71.42 110.906 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 73.0 m -58.78 152.52 18.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 73.13 110.908 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 19.5 m -68.26 168.81 11.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 62.01 110.919 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 36.3 m80 -54.27 126.73 24.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 71.22 110.884 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 98.97 -23.27 37.09 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.736 -0.745 . . . . 74.31 112.496 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.497 HD23 ' N ' ' A' ' 76' ' ' LYS . 17.0 mt -101.6 160.27 14.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.807 0.337 . . . . 73.11 110.93 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -150.16 159.06 44.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 74.43 110.908 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -118.39 127.9 26.3 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.622 0.725 . . . . 42.33 110.831 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 166.59 27.09 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.699 2.266 . . . . 55.11 112.35 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 54.5 mt -97.56 95.33 7.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 62.01 110.882 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -157.71 -174.77 5.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 75.02 111.091 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -51.85 -62.9 1.34 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 64.44 110.867 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 4.1 mp -131.8 83.08 58.45 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.714 0.769 . . . . 64.45 111.15 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 169.74 18.18 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.714 2.276 . . . . 53.1 112.303 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.421 ' CE1' HG22 ' A' ' 53' ' ' VAL . 45.2 m-85 -143.66 130.77 20.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 63.51 110.926 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 56.5 m -51.73 135.2 29.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 72.22 110.887 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -155.05 147.19 23.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 51.32 110.87 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.497 ' N ' HD23 ' A' ' 64' ' ' LEU . 7.9 mmmm -51.59 118.94 3.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 61.02 110.922 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -77.42 134.08 38.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 73.44 110.94 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.491 . . . . 75.52 110.89 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.473 -0.251 . . . . 64.1 112.473 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -120.42 69.24 0.86 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.851 0.358 . . . . 61.31 110.887 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 17.7 p -172.02 166.55 6.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 61.33 110.861 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -104.36 126.77 51.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 65.31 111.122 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.5 mtmt -58.18 168.96 0.9 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 65.12 110.882 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 77.1 tt0 -64.34 140.5 58.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 74.11 110.934 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.55 -28.64 9.65 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.752 -0.737 . . . . 74.54 112.438 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -77.25 161.05 28.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.916 0.388 . . . . 65.24 110.9 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.1 t -82.47 150.84 4.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.113 -0.494 . . . . 45.14 111.161 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 17.4 p -108.43 142.64 38.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 75.4 110.915 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 66.2 p -121.47 -170.08 1.97 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 74.45 110.827 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 19.9 t90 -68.28 -38.27 81.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.48 . . . . 75.12 110.912 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -94.99 -24.98 15.52 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.755 -0.736 . . . . 64.51 112.47 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.8 ttpt -103.78 113.53 27.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.832 0.349 . . . . 61.25 110.913 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.38 169.34 8.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 73.4 110.9 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.599 ' HB3' HD23 ' A' ' 19' ' ' LEU . 2.7 t -76.94 142.2 40.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 62.33 110.853 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 22.6 m -67.28 -36.12 80.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 71.33 110.878 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -116.76 73.34 0.86 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 75.0 110.868 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.599 HD23 ' HB3' ' A' ' 16' ' ' CYS . 86.3 mt -65.09 -31.72 73.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 63.33 110.864 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -59.21 -34.41 72.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.439 . . . . 74.55 110.818 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -97.77 -59.19 1.82 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.441 . . . . 64.54 110.927 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -94.34 160.99 14.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 41.4 110.898 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 8.5 p90 -152.09 175.11 12.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 73.51 110.902 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 84.9 m -108.85 88.2 5.21 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.628 0.728 . . . . 74.05 110.851 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 156.31 63.61 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.663 2.242 . . . . 73.41 112.336 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 24.0 mmt -65.61 101.59 0.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 73.53 110.899 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -163.41 168.63 20.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 71.42 110.893 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.444 ' HB2' HD12 ' A' ' 29' ' ' ILE . 91.7 m-85 -51.7 -57.08 10.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 74.0 110.888 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.444 HD12 ' HB2' ' A' ' 28' ' ' PHE . 3.8 mp -124.03 101.96 34.91 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.58 0.705 . . . . 75.14 111.157 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 120.84 7.56 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.661 2.241 . . . . 75.21 112.359 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 26.7 m80 -113.53 147.27 38.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 73.1 110.863 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 33.8 m -74.76 73.26 2.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 70.34 110.9 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt -113.37 148.39 35.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 75.1 110.927 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.3 ttpt -70.73 154.26 42.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 72.42 110.913 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -56.57 157.99 4.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 72.32 110.938 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.75 159.9 83.73 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.591 0.71 . . . . 72.2 110.913 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 166.01 28.99 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.687 2.258 . . . . 54.41 112.31 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 50.9 p90 -61.61 142.12 57.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 71.52 110.941 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.432 HG13 ' HD2' ' A' ' 40' ' ' PRO . 58.3 t -80.88 133.3 55.18 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.562 0.696 . . . . 72.43 111.153 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.432 ' HD2' HG13 ' A' ' 39' ' ' VAL . 53.8 Cg_endo -69.78 128.05 15.46 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.684 2.256 . . . . 62.31 112.347 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 25.7 t -64.65 134.74 29.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 53.41 111.084 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 14.2 t -95.59 160.57 14.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 74.5 111.136 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.1 p -68.87 161.39 28.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 70.33 111.11 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 67.8 m -78.91 139.03 38.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 63.14 110.862 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -97.27 161.01 14.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.114 -0.494 . . . . 71.44 110.853 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -160.89 136.0 7.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 71.13 110.859 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 17.3 p -61.83 165.75 5.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 73.51 110.887 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -83.32 112.74 20.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 72.44 111.102 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 33.4 mtmm -76.42 165.39 24.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 65.11 110.885 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.5 tm-20 -50.23 122.76 7.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 74.43 110.876 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 109.6 -29.65 9.26 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.708 -0.758 . . . . 51.24 112.502 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -64.27 148.95 49.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.902 0.382 . . . . 70.31 110.848 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.448 HG11 HG23 ' A' ' 71' ' ' ILE . 24.1 t -82.35 149.43 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 65.44 111.17 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 14.4 m -122.42 151.74 40.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 70.41 110.917 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 144.18 -59.12 0.52 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.721 -0.752 . . . . 34.35 112.492 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 6.0 m-90 -77.03 61.44 2.0 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.777 0.322 . . . . 73.5 110.908 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 63.37 32.66 84.91 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.762 -0.732 . . . . 73.03 112.503 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -115.91 126.68 54.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.983 0.421 . . . . 74.43 110.874 -179.771 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.56 158.15 27.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 75.05 110.896 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 67.4 m -84.26 159.67 20.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 74.23 110.904 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 17.8 m -69.46 169.96 11.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 73.33 110.868 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 13.9 p80 -56.8 116.83 3.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 64.23 110.889 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 109.37 -23.44 22.69 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.724 -0.75 . . . . 64.32 112.45 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.416 HD23 ' N ' ' A' ' 76' ' ' LYS . 9.6 mt -102.4 157.67 16.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.842 0.353 . . . . 64.12 110.942 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -148.45 162.31 39.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 73.02 110.904 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -115.02 140.23 25.31 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.607 0.718 . . . . 40.41 110.896 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 167.85 23.24 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.652 2.235 . . . . 60.01 112.352 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 82.0 mt -96.6 95.2 7.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 73.33 110.889 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -163.47 -174.73 3.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 73.2 111.108 179.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -56.37 -66.43 0.44 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 72.14 110.896 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.448 HG23 HG11 ' A' ' 53' ' ' VAL . 3.5 mp -119.37 82.03 23.52 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.666 0.746 . . . . 72.05 111.125 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 170.08 17.39 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.671 2.247 . . . . 71.24 112.368 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -143.88 130.91 20.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 63.42 110.903 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 55.5 m -51.26 142.56 12.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 45.3 110.848 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -160.84 147.24 15.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 63.22 110.847 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.416 ' N ' HD23 ' A' ' 64' ' ' LEU . 66.3 mmtt -50.99 118.76 3.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 73.32 110.936 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -52.89 118.1 3.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.219 -0.446 . . . . 72.12 110.917 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 20.4 ttp85 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.1 -0.5 . . . . 72.25 110.918 179.99 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.484 -0.246 . . . . 52.14 112.484 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -71.38 -178.99 2.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.911 0.386 . . . . 62.43 110.795 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 27.5 p -172.02 167.25 6.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.482 . . . . 75.44 110.853 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -97.52 147.35 24.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 73.24 111.083 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.33 175.37 10.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 71.54 110.915 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 52.0 tt0 -63.92 129.91 41.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 72.32 110.937 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.51 -28.68 9.52 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.694 -0.765 . . . . 63.23 112.492 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -66.28 159.19 27.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.924 0.392 . . . . 30.3 110.878 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 23.3 t -79.63 149.61 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 75.45 111.121 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 17.2 p -113.11 143.09 44.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 52.33 110.845 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 61.9 p -135.63 177.89 7.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 73.1 110.894 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 66.4 p-90 -55.63 -35.26 65.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.182 -0.463 . . . . 73.53 110.866 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -95.85 -24.87 14.2 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.749 -0.738 . . . . 54.21 112.467 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.69 106.68 17.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.859 0.361 . . . . 64.13 110.904 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -106.93 133.3 51.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 74.44 110.864 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -52.18 140.22 21.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 51.23 110.873 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 41.2 m -57.78 -35.53 70.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 64.24 110.915 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -117.8 79.14 1.32 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 63.51 110.87 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 95.9 mt -71.61 -34.3 69.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 73.35 110.935 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -57.82 -35.56 71.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 70.41 110.851 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -92.85 -58.27 2.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 73.55 110.887 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -94.45 144.17 25.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 74.53 110.889 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 6.6 p90 -128.49 176.01 8.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 73.03 110.871 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 89.3 m -114.7 91.54 25.91 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.632 0.73 . . . . 74.31 110.854 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 145.69 58.17 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.705 2.27 . . . . 72.23 112.361 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 5.8 tpt -65.04 107.25 1.46 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 71.01 110.903 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -163.63 172.45 14.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.2 -0.454 . . . . 73.53 110.891 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.462 ' HB2' HD12 ' A' ' 29' ' ' ILE . 92.1 m-85 -51.21 -57.4 8.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 71.41 110.844 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.462 HD12 ' HB2' ' A' ' 28' ' ' PHE . 2.9 mp -124.16 102.18 34.25 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.644 0.735 . . . . 63.43 111.141 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 126.79 13.72 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.688 2.258 . . . . 73.2 112.344 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 26.1 m80 -122.04 156.36 33.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 70.33 110.876 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 34.1 m -87.21 71.33 10.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 70.21 110.879 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.2 ttmt -115.02 130.8 57.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 75.42 110.957 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 24.8 ttmt -51.73 153.04 2.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 50.32 110.891 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -51.68 157.95 1.05 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 53.34 110.979 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 33.8 mtmt -55.27 159.93 3.88 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.538 0.685 . . . . 44.55 110.951 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 166.06 28.91 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.678 2.252 . . . . 71.24 112.328 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -57.86 141.97 47.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 74.33 110.919 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.424 HG13 ' HD2' ' A' ' 40' ' ' PRO . 58.6 t -73.48 133.29 80.49 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.617 0.723 . . . . 45.31 111.117 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.424 ' HD2' HG13 ' A' ' 39' ' ' VAL . 54.1 Cg_endo -69.76 157.6 59.83 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.663 2.242 . . . . 75.3 112.387 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 28.9 t -71.67 139.96 18.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 74.45 111.158 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.7 p -62.28 156.0 23.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 74.42 111.134 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.3 p -82.41 -177.29 6.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 72.4 111.159 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 63.3 p -69.39 142.54 53.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 51.25 110.826 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -89.14 133.27 34.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 71.51 110.861 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 32.6 t30 -150.65 122.94 8.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 55.21 110.908 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 21.3 p -62.17 159.13 15.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 53.14 110.867 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -77.81 112.8 15.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 65.32 111.132 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.5 ptmt -76.4 167.19 22.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 73.53 110.899 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 63.1 tt0 -51.59 128.2 22.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 70.12 110.867 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 103.26 -29.8 11.66 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.736 -0.745 . . . . 64.44 112.482 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -64.27 155.7 31.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.861 0.362 . . . . 54.14 110.916 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.8 t -90.54 149.93 3.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 71.54 111.124 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 34.3 m -116.35 143.81 45.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 73.34 110.861 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 151.97 -33.66 0.87 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.757 -0.735 . . . . 70.2 112.493 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 86.1 m95 -90.84 46.92 1.36 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.781 0.324 . . . . 62.22 110.892 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 64.07 32.66 84.94 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.739 -0.744 . . . . 63.1 112.442 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.65 119.54 39.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.889 0.376 . . . . 74.01 110.874 -179.755 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.5 mmmm -102.55 135.63 43.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.467 . . . . 75.31 110.905 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 72.0 m -58.85 152.61 18.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 74.52 110.82 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 20.2 m -68.16 167.18 14.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 72.54 110.867 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 41.0 m80 -51.85 128.84 25.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.463 . . . . 72.34 110.88 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 96.14 -23.19 35.75 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.774 -0.727 . . . . 71.22 112.502 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.462 HD23 ' HA ' ' A' ' 76' ' ' LYS . 20.1 mt -102.22 160.45 14.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.801 0.334 . . . . 75.11 110.932 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -153.48 159.97 42.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 73.42 110.843 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -116.21 131.5 23.76 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.654 0.74 . . . . 63.23 110.854 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 167.01 25.78 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.631 2.221 . . . . 52.41 112.35 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -97.18 95.35 7.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 61.43 110.944 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -159.59 -174.49 4.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 50.33 111.127 179.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -52.19 -65.77 0.5 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 71.11 110.885 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 4.0 mp -127.75 83.0 67.27 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.631 0.729 . . . . 41.32 111.131 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 169.8 17.98 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.659 2.239 . . . . 65.43 112.389 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -143.79 131.24 21.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 71.12 110.926 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 56.0 m -51.43 137.01 24.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 75.34 110.871 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -157.18 146.55 20.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.485 . . . . 72.5 110.885 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.462 ' HA ' HD23 ' A' ' 64' ' ' LEU . 2.9 mmmp? -51.62 118.8 3.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 63.51 110.923 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -55.33 129.77 39.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 74.44 110.973 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 16.4 mmt180 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 71.13 110.878 -179.977 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.475 -0.25 . . . . 44.12 112.475 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -139.13 153.58 47.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.841 0.353 . . . . 64.41 110.888 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 30.3 p -172.04 170.88 5.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 65.02 110.851 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -99.47 114.4 27.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 64.23 111.108 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.9 tttm -58.2 173.88 0.32 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 74.21 110.884 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 70.8 tt0 -58.54 125.27 22.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 64.24 110.895 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.72 -28.8 9.44 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.709 -0.758 . . . . 73.04 112.467 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -59.54 161.03 6.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.838 0.351 . . . . 64.1 110.937 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 90.5 t -79.18 144.34 11.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 63.32 111.144 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 22.7 p -117.78 137.63 52.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 63.15 110.886 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 93.7 p -140.45 -170.03 2.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 61.51 110.845 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 69.9 p-90 -64.19 -35.53 81.1 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.105 -0.498 . . . . 74.25 110.925 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -93.02 -24.88 21.47 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.687 -0.768 . . . . 60.24 112.481 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.0 tppt? -103.76 114.05 28.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.861 0.362 . . . . 61.54 110.889 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.23 129.84 48.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 71.33 110.873 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.589 ' HB3' HD23 ' A' ' 19' ' ' LEU . 2.6 t -58.04 136.34 57.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 71.45 110.92 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 40.5 m -58.16 -36.06 72.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 75.34 110.91 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -120.15 77.22 1.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 72.52 110.869 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.589 HD23 ' HB3' ' A' ' 16' ' ' CYS . 82.7 mt -67.19 -34.7 78.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 54.22 110.96 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -58.37 -35.91 72.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 75.15 110.877 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.6 m-80 -92.79 -58.61 2.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 74.2 110.861 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -94.49 146.08 24.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 64.42 110.853 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 19.7 p90 -124.35 170.8 10.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.488 . . . . 74.32 110.924 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -109.15 87.41 4.8 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.61 0.719 . . . . 54.32 110.903 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 167.2 25.11 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.706 2.271 . . . . 64.42 112.32 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 4.8 tpt -95.7 106.64 18.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 74.21 110.902 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -163.39 177.2 9.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 54.21 110.875 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.441 ' HB2' HD12 ' A' ' 29' ' ' ILE . 97.4 m-85 -51.59 -57.03 10.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 75.32 110.857 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.441 HD12 ' HB2' ' A' ' 28' ' ' PHE . 3.4 mp -123.92 102.29 34.9 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.618 0.723 . . . . 72.31 111.115 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 138.84 38.79 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.673 2.249 . . . . 73.41 112.369 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 35.6 m80 -134.82 165.79 24.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 71.43 110.849 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 34.1 m -100.39 81.08 2.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 74.42 110.905 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 43.4 mmtt -113.33 145.94 40.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.458 . . . . 71.25 110.93 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.3 ptpt -68.97 147.31 51.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 63.14 110.873 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -51.89 151.7 3.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 71.35 110.95 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 20.3 mttp -52.03 159.88 1.32 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.546 0.689 . . . . 74.43 110.919 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 166.02 29.01 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.694 2.263 . . . . 60.34 112.357 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -66.37 153.83 41.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 71.44 110.892 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.443 HG13 ' HD2' ' A' ' 40' ' ' PRO . 58.1 t -72.61 133.34 82.71 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.608 0.718 . . . . 74.11 111.106 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.443 ' HD2' HG13 ' A' ' 39' ' ' VAL . 54.0 Cg_endo -69.8 162.45 42.06 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.694 2.263 . . . . 64.43 112.362 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.9 t -73.6 149.21 8.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 73.14 111.154 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.9 t -52.47 148.2 7.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 64.43 111.155 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 64.14 36.65 9.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 65.04 111.129 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.4 p -86.63 156.56 19.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 73.1 110.875 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -96.02 119.17 34.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 73.5 110.842 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -164.71 140.3 5.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 74.32 110.892 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 18.0 p -62.19 161.72 10.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 70.43 110.878 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.01 112.67 17.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 74.04 111.095 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.6 ptmm? -76.55 168.89 19.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 61.25 110.867 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -51.71 125.8 15.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 75.2 110.923 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 104.7 -29.65 11.46 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.771 -0.728 . . . . 71.34 112.505 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -63.12 153.87 32.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.878 0.371 . . . . 64.31 110.853 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 22.0 t -89.61 149.84 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 54.54 111.093 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 28.1 m -116.49 159.49 21.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 71.45 110.852 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 124.86 -33.32 3.75 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.729 -0.748 . . . . 71.13 112.489 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 43.5 m95 -98.3 56.21 1.16 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.723 0.297 . . . . 74.35 110.881 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 63.71 32.78 85.31 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.728 -0.749 . . . . 63.3 112.451 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -116.95 116.44 27.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.894 0.378 . . . . 73.12 110.824 -179.712 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -108.08 130.43 55.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 63.44 110.858 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 82.3 m -57.84 151.34 18.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 73.23 110.85 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.44 ' HB2' HD12 ' A' ' 64' ' ' LEU . 20.7 m -71.2 170.51 12.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 74.4 110.853 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.7 t-160 -55.16 125.01 18.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 74.24 110.886 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 100.05 -23.17 37.01 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.759 -0.734 . . . . 41.33 112.521 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.576 HD23 ' N ' ' A' ' 76' ' ' LYS . 11.2 mt -99.56 160.49 14.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.759 0.314 . . . . 72.21 110.955 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -151.56 159.41 44.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.46 . . . . 71.45 110.848 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -117.2 131.5 23.98 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.61 0.719 . . . . 61.45 110.942 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 166.94 25.84 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.695 2.263 . . . . 70.35 112.326 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 8.8 mp -97.04 95.18 7.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 53.24 110.898 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -159.71 -174.72 4.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 70.23 111.094 179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 43.7 m-85 -52.38 -65.9 0.48 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 75.11 110.88 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 4.0 mp -127.03 82.92 67.23 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.659 0.742 . . . . 65.3 111.159 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 169.82 17.98 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.708 2.272 . . . . 74.42 112.318 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -143.32 132.21 22.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 72.12 110.916 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 55.7 m -51.64 140.2 19.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 64.43 110.897 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -158.48 141.63 14.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 72.13 110.927 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.576 ' N ' HD23 ' A' ' 64' ' ' LEU . 24.8 mmtp -51.27 118.97 3.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.454 . . . . 72.12 110.885 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -53.58 127.76 26.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 73.44 110.913 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 26.1 ttm180 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 64.01 110.821 -179.948 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.457 -0.257 . . . . 62.43 112.457 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -144.75 168.73 19.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.841 0.353 . . . . 71.23 110.866 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 28.2 p -171.99 173.24 4.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 72.15 110.869 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -105.56 119.28 38.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 74.35 111.084 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.84 174.98 0.22 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 73.44 110.933 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -70.27 137.24 50.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 72.21 110.885 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.64 -28.62 9.77 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.746 -0.74 . . . . 72.14 112.525 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -73.43 161.03 30.89 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.891 0.377 . . . . 70.24 110.878 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.4 t -78.13 150.17 5.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 52.44 111.117 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 20.4 p -112.4 143.17 43.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 44.12 110.868 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 66.8 p -134.68 -173.91 3.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 75.21 110.83 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 51.5 t90 -67.62 -40.47 84.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.131 -0.486 . . . . 54.34 110.898 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -86.62 -24.9 37.28 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.78 -0.724 . . . . 65.35 112.471 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.7 tppt? -103.59 114.24 28.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.8 0.333 . . . . 75.21 110.904 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? -105.6 127.65 53.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 73.3 110.886 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.476 ' HB3' HD23 ' A' ' 19' ' ' LEU . 1.9 t -51.63 141.28 16.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 62.3 110.897 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 37.6 m -59.68 -36.05 75.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 55.12 110.862 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -119.49 76.57 1.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 73.42 110.841 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.476 HD23 ' HB3' ' A' ' 16' ' ' CYS . 94.5 mt -67.45 -35.67 79.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.456 . . . . 75.4 110.906 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -57.74 -36.05 71.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 43.32 110.885 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.3 m-20 -91.92 -58.33 2.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 71.24 110.862 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -94.59 142.75 27.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 74.12 110.88 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 10.2 p90 -130.17 176.46 8.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.469 . . . . 54.42 110.899 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 85.1 m -108.77 87.85 4.82 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.612 0.72 . . . . 74.3 110.889 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 165.69 30.11 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.665 2.244 . . . . 72.1 112.354 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 33.8 mmt -82.45 103.01 11.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 73.03 110.856 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 21.2 pt-20 -163.35 172.13 15.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 71.43 110.857 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.456 ' HB2' HD12 ' A' ' 29' ' ' ILE . 78.7 m-85 -51.95 -57.3 9.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 74.12 110.85 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.456 HD12 ' HB2' ' A' ' 28' ' ' PHE . 3.8 mp -123.88 102.14 35.19 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.617 0.722 . . . . 71.21 111.118 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 121.51 8.19 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.666 2.244 . . . . 75.13 112.373 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 23.6 m80 -114.59 157.73 22.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 73.3 110.86 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 34.6 m -84.89 75.63 10.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 63.4 110.876 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -113.4 147.19 38.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 64.32 110.915 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -64.42 151.05 45.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 75.23 110.9 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 30.6 m-85 -52.06 153.52 2.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.25 -0.432 . . . . 74.34 110.891 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 31.7 mtpt -52.83 159.94 1.63 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.525 0.678 . . . . 71.21 110.917 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 166.0 29.15 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.656 2.238 . . . . 73.21 112.332 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -52.0 145.19 10.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 72.44 110.939 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.442 HG13 ' HD2' ' A' ' 40' ' ' PRO . 58.4 t -71.43 133.26 85.2 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.63 0.728 . . . . 75.45 111.158 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.442 ' HD2' HG13 ' A' ' 39' ' ' VAL . 54.0 Cg_endo -69.68 162.03 43.64 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.686 2.257 . . . . 62.31 112.371 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 38.9 t -55.12 138.24 15.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 62.32 111.1 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.5 p -120.48 162.37 19.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.473 . . . . 72.33 111.155 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.3 p -55.58 170.98 0.22 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 75.42 111.165 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 10.3 p -71.38 147.52 47.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 70.25 110.825 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -99.93 159.96 14.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.487 . . . . 74.11 110.898 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -153.96 116.87 4.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 71.04 110.881 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 18.1 p -61.75 160.56 11.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 73.2 110.905 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.3 113.31 17.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 64.11 111.117 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -76.66 168.29 20.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 72.34 110.853 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -51.63 127.58 20.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 73.4 110.88 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 103.71 -29.92 11.27 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.688 -0.768 . . . . 41.13 112.473 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -63.85 154.93 32.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.916 0.388 . . . . 72.21 110.872 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.8 t -90.07 150.13 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 43.34 111.142 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 26.9 m -116.78 153.75 31.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 73.02 110.883 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 131.74 -33.34 2.75 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.73 -0.748 . . . . 44.53 112.456 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 11.8 m95 -97.36 55.69 1.29 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.871 0.367 . . . . 70.52 110.933 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 63.52 32.6 84.71 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.711 -0.757 . . . . 72.52 112.56 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.02 116.47 27.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.916 0.388 . . . . 73.42 110.857 -179.726 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -107.82 132.47 53.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 72.24 110.903 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 75.8 m -58.36 151.26 20.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 62.53 110.876 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 17.3 m -70.03 170.73 10.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 70.02 110.844 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 7.3 m170 -56.15 124.97 19.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 74.44 110.867 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 101.11 -23.39 35.65 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.7 -0.762 . . . . 44.35 112.458 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.486 HD23 ' N ' ' A' ' 76' ' ' LYS . 13.1 mt -101.57 160.04 14.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.85 0.357 . . . . 74.5 110.86 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -150.36 160.9 43.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 72.32 110.832 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -117.29 132.07 23.71 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.607 0.718 . . . . 70.41 110.875 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 166.99 25.79 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.707 2.271 . . . . 74.43 112.329 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 8.8 mp -97.46 95.39 7.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 75.24 110.905 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -159.15 -174.63 4.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 73.02 111.079 179.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -52.92 -63.86 1.01 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 71.12 110.89 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 4.1 mp -128.97 82.74 68.12 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.657 0.741 . . . . 54.33 111.153 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.65 169.73 18.1 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.695 2.263 . . . . 73.23 112.396 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -143.45 132.13 22.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 63.24 110.916 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 54.9 m -51.6 136.48 26.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 64.21 110.882 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -156.23 145.87 20.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 72.21 110.885 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.486 ' N ' HD23 ' A' ' 64' ' ' LEU . 22.1 mmtp -51.17 118.95 3.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 75.42 110.927 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -55.91 133.29 51.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 72.31 110.906 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 63.5 ttt-85 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 51.33 110.905 179.998 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.487 -0.245 . . . . 64.03 112.487 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -75.93 -176.91 3.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.859 0.362 . . . . 73.4 110.879 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.6 p -171.97 145.54 1.87 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 42.42 110.856 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -74.94 135.66 41.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 64.23 111.104 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 16.4 mtmm -58.2 171.62 0.54 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 73.24 110.86 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 63.8 tt0 -64.21 121.87 15.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 61.0 110.847 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.65 -28.71 9.59 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.761 -0.733 . . . . 30.41 112.497 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -62.64 152.67 34.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.888 0.375 . . . . 65.42 110.928 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 58.6 t -66.19 142.51 16.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 55.31 111.163 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 8.8 p -120.55 137.45 54.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 73.11 110.859 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 89.4 p -111.86 -170.2 1.61 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 73.34 110.89 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 7.8 t90 -64.07 -37.52 87.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 74.12 110.91 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -91.69 -24.83 24.64 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.759 -0.734 . . . . 74.21 112.493 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.8 tttt -103.76 113.81 27.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.825 0.345 . . . . 72.21 110.897 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.6 164.21 12.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 73.42 110.851 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 59.6 m -73.45 132.75 43.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 73.32 110.896 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 79.4 m -52.1 -36.14 50.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 72.2 110.889 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 -112.56 97.05 6.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 74.31 110.882 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 70.8 mt -79.46 -35.87 39.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 73.22 110.915 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -59.18 -36.09 74.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 50.24 110.855 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 60.0 m-80 -98.83 -59.87 1.65 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 61.43 110.878 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -94.7 170.81 9.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 70.2 110.89 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 6.1 p90 -162.1 172.53 15.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 64.42 110.875 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -108.89 88.6 5.6 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.633 0.73 . . . . 73.44 110.918 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 159.84 51.93 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.668 2.245 . . . . 55.55 112.335 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 42.6 tpp -91.29 105.53 17.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 73.23 110.882 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -163.39 -178.7 6.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 70.44 110.903 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -51.39 -53.74 33.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 75.44 110.878 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.7 mp -123.92 102.1 35.12 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.6 0.714 . . . . 61.01 111.1 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 121.62 8.3 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.622 2.215 . . . . 70.42 112.333 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 34.3 m80 -115.02 169.13 9.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 75.14 110.848 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 34.6 m -107.2 63.45 0.63 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 63.32 110.882 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.32 168.0 10.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 75.22 110.926 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 34.3 mtmt -73.68 158.6 34.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 64.21 110.895 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -51.85 149.23 5.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.43 . . . . 73.44 110.941 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.85 157.6 44.31 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.541 0.686 . . . . 72.04 110.93 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 125.08 11.71 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.655 2.237 . . . . 74.1 112.334 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 -53.28 150.43 6.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 73.43 110.942 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.423 HG13 ' HD2' ' A' ' 40' ' ' PRO . 58.2 t -125.77 133.32 24.79 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.622 0.725 . . . . 75.44 111.13 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.423 ' HD2' HG13 ' A' ' 39' ' ' VAL . 53.4 Cg_endo -69.87 126.92 13.8 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.63 2.22 . . . . 73.34 112.348 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 30.2 t -98.61 145.87 9.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 61.13 111.122 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -52.08 162.34 0.49 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 72.53 111.131 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 64.09 36.51 9.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 72.11 111.119 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 15.6 p -89.07 165.41 14.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 72.24 110.854 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -70.66 137.63 50.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.098 -0.501 . . . . 74.41 110.892 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 16.4 t30 -174.72 157.16 2.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 61.43 110.877 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 26.4 p -62.21 150.91 37.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 71.42 110.892 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.17 110.57 8.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 54.23 111.087 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.7 ptpp? -75.28 168.95 19.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 74.23 110.885 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 49.1 tt0 -52.01 127.39 21.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 74.44 110.852 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 103.99 -29.71 11.59 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.734 -0.746 . . . . 73.21 112.503 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -63.35 154.99 30.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.902 0.382 . . . . 73.11 110.885 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.408 HG22 ' CE1' ' A' ' 73' ' ' TYR . 21.7 t -92.49 149.35 4.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 61.22 111.113 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 20.5 m -116.39 142.22 47.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 64.02 110.875 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 164.8 -31.46 0.24 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.767 -0.73 . . . . 65.22 112.49 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 81.7 m95 -92.91 40.79 1.06 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.79 0.329 . . . . 74.14 110.937 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 63.46 32.9 85.72 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.717 -0.754 . . . . 55.31 112.545 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.1 m -106.5 116.14 31.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.973 0.416 . . . . 74.31 110.871 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.9 mtpt -82.56 157.44 23.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 71.21 110.874 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 69.8 m -80.94 141.84 34.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 72.2 110.897 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.625 ' HB2' HD12 ' A' ' 64' ' ' LEU . 89.3 m -51.6 167.14 0.11 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 75.12 110.897 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 13.3 m80 -55.96 127.01 28.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 42.42 110.876 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 87.43 18.89 56.28 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.76 -0.733 . . . . 74.41 112.493 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.625 HD12 ' HB2' ' A' ' 61' ' ' CYS . 32.5 mt -141.07 160.09 40.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.82 0.343 . . . . 60.32 110.937 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -153.35 162.28 41.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 64.03 110.835 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -116.26 131.04 24.01 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.627 0.727 . . . . 63.12 110.83 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 166.98 25.74 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.735 2.29 . . . . 74.33 112.342 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 15.9 mt -96.69 95.4 7.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 63.12 110.931 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -160.1 -174.73 4.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 64.13 111.118 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -52.59 -66.12 0.44 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 64.35 110.895 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.6 mp -126.62 82.8 66.22 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.601 0.715 . . . . 74.52 111.096 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 169.72 18.29 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.715 2.277 . . . . 74.31 112.345 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.408 ' CE1' HG22 ' A' ' 53' ' ' VAL . 38.5 m-85 -144.63 131.01 19.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 74.54 110.93 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 55.8 m -51.61 134.52 29.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.098 -0.501 . . . . 54.34 110.857 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.2 pt-20 -155.17 158.66 39.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 75.52 110.916 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 5.7 mmmm -51.47 118.77 3.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.131 -0.486 . . . . 71.32 110.883 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -54.12 117.77 3.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.26 -0.427 . . . . 63.54 110.93 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.48 . . . . 60.4 110.863 -179.972 . . . . . . . . 1 1 . 1 stop_ save_