data_2dnu_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2dnu _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 . . . . . 0 CA--C 1.527 0.066 0 CA-C-O 120.926 0.393 . . . . 0.0 110.808 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 27.1 mttp -87.01 119.58 27.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.914 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -108.92 173.61 6.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.956 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.1 p -131.89 142.13 43.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.109 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 16.2 p -87.12 138.24 31.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.169 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.8 m -108.14 -7.6 10.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.115 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.482 ' HB2' ' CD2' ' A' ' 59' ' ' TYR . 60.1 mt-30 -152.21 146.31 18.36 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.643 0.735 . . . . 0.0 110.872 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.83 141.22 44.36 Favored 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.666 2.244 . . . . 0.0 112.37 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.405 ' CE1' ' HG3' ' A' ' 56' ' ' PRO . 62.2 t80 -129.55 130.25 45.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 88.6 m -101.85 116.34 32.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.095 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.1 p -77.64 130.84 37.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.816 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.6 mp0 -83.99 -36.43 23.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.989 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 64.3 m -135.59 164.88 26.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 23' ' ' ASP . 42.5 mtpt -49.45 -49.57 44.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.941 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 22' ' ' LYS . 10.6 m-20 -38.14 -37.09 0.25 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -104.81 149.58 25.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.944 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 9.9 tt -114.78 133.64 60.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.153 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -102.08 132.82 11.13 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.517 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -131.19 -178.03 4.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.844 0.354 . . . . 0.0 110.885 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -108.93 172.78 6.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 43.3 tttt -90.46 119.26 30.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 109.42 30.36 3.6 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.466 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.4 m -123.62 166.75 18.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.966 0.412 . . . . 0.0 111.103 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 95.6 m -101.12 134.83 43.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.16 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 15.8 m -126.81 158.02 37.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.159 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -112.42 109.45 19.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 61.8 t -75.22 113.72 14.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.145 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 13.4 mt -94.35 -59.67 2.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.103 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 20.1 mmm180 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.985 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.509 ' HB3' ' CZ3' ' A' ' 54' ' ' TRP . 12.9 m95 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.785 0.326 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 11.7 m0 -118.43 106.25 12.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.898 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.533 ' CE2' ' HB3' ' A' ' 52' ' ' GLU . 3.4 t80 -64.54 115.41 5.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.944 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 7.1 pt -121.92 173.39 7.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.135 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.6 ttm105 -127.23 121.05 30.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.912 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.457 ' CE2' HD12 ' A' ' 49' ' ' LEU . 38.1 t80 -144.1 144.97 31.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.457 HD12 ' CE2' ' A' ' 48' ' ' TYR . 13.8 mt 54.51 34.75 21.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.924 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 62.51 36.31 92.99 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.451 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 25.6 mtpt -147.25 136.34 22.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.709 0.29 . . . . 0.0 110.867 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.533 ' HB3' ' CE2' ' A' ' 45' ' ' TYR . 39.1 mt-10 -101.85 126.2 48.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.864 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -147.59 179.91 24.12 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.51 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.509 ' CZ3' ' HB3' ' A' ' 43' ' ' TRP . 64.3 m95 -95.29 126.37 40.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.667 0.27 . . . . 0.0 110.942 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -133.01 145.74 58.29 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.577 0.703 . . . . 0.0 111.175 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.405 ' HG3' ' CE1' ' A' ' 17' ' ' TYR . 53.7 Cg_endo -69.76 121.78 8.47 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.701 2.268 . . . . 0.0 112.386 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -53.48 -24.12 12.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.077 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.1 m -59.55 -38.99 82.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.831 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.482 ' CD2' ' HB2' ' A' ' 15' ' ' GLN . 16.4 m-85 -89.43 29.31 1.13 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.7 mt -144.21 152.29 40.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.945 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 47.1 pttt -153.23 144.34 23.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 46.3 tttm -62.85 125.64 24.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.041 179.875 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.902 0.382 . . . . 0.0 110.834 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.8 mttp -97.56 118.1 33.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.977 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -110.5 170.41 8.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.963 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 14.2 p -127.43 147.64 32.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.167 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.469 HG22 ' CE1' ' A' ' 27' ' ' PHE . 77.3 p -94.39 134.51 36.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.081 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.6 m -103.78 -14.81 8.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.16 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 34.8 mm-40 -146.38 148.26 33.77 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.605 0.716 . . . . 0.0 110.859 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 151.46 69.19 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.688 2.259 . . . . 0.0 112.358 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -131.56 141.95 49.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 57.8 m -109.44 106.29 15.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.161 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 27.9 p -74.54 117.15 16.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.832 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 97.9 mm-40 -74.09 -47.32 37.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.99 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 36.8 m -125.25 165.63 17.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' A' ' 23' ' ' ASP . 91.2 mttt -47.45 -54.35 11.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.848 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 22' ' ' LYS . 7.7 p-10 -35.82 -35.04 0.06 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.867 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 22' ' ' LYS . 19.3 mt-10 -103.12 146.45 28.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.865 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 16.1 tt -111.82 137.55 44.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.104 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -102.43 131.99 10.82 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.484 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.469 ' CE1' HG22 ' A' ' 13' ' ' THR . 7.7 p90 -134.18 179.21 6.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.86 0.362 . . . . 0.0 110.851 -179.833 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -112.09 173.72 6.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 28.8 tttm -89.51 115.07 26.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 114.3 34.44 1.61 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.487 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.9 m -130.38 161.65 39.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.855 0.36 . . . . 0.0 111.2 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 95.7 m -95.07 135.12 37.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 28.7 m -126.78 155.7 37.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.172 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.0 mp0 -113.36 107.14 15.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.949 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 85.0 t -73.37 106.54 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.172 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 66.5 mt -76.3 -61.74 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.11 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 65.6 mtt180 . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.876 -179.996 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.514 ' HB3' ' CZ3' ' A' ' 54' ' ' TRP . 9.8 m95 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.669 0.271 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 13.6 m0 -118.68 108.9 15.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.945 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.509 ' CE2' ' HB3' ' A' ' 52' ' ' GLU . 3.0 t80 -68.4 116.16 8.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 8.1 pt -122.76 171.96 10.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.128 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.4 ' NH1' ' HB2' ' A' ' 47' ' ' ARG . 16.7 ttm105 -123.18 126.74 47.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.839 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -147.16 134.53 20.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.969 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 18.6 mt 61.23 39.67 15.46 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.923 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 60.2 35.45 87.95 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.474 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.4 135.37 22.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.769 0.319 . . . . 0.0 110.902 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.509 ' HB3' ' CE2' ' A' ' 45' ' ' TYR . 2.2 mp0 -102.3 123.83 46.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -146.45 -179.17 22.41 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.426 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.514 ' CZ3' ' HB3' ' A' ' 43' ' ' TRP . 60.9 m95 -91.17 137.52 32.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.741 0.305 . . . . 0.0 110.923 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -147.05 144.12 19.32 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.528 0.68 . . . . 0.0 111.159 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.85 126.77 13.64 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.672 2.248 . . . . 0.0 112.328 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.04 -21.33 30.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.121 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 14.9 m -63.15 -29.58 70.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.848 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -95.54 17.41 14.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.932 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 11.7 mt -139.35 141.65 37.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.93 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 18.0 pttp -142.4 138.1 30.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.83 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 11.8 tttp -55.28 124.84 18.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.92 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.077 179.822 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.93 0.395 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.3 mtmp? -108.4 120.17 41.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.525 ' CD2' ' C ' ' A' ' 61' ' ' LYS . 6.2 m-85 -106.07 -177.82 3.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.857 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 61.6 t -131.96 146.83 32.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.146 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.497 HG23 ' CD1' ' A' ' 27' ' ' PHE . 43.9 p -94.7 117.36 30.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.119 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.413 ' C ' ' HG3' ' A' ' 15' ' ' GLN . 23.8 m -91.69 -6.02 10.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.17 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.413 ' HG3' ' C ' ' A' ' 14' ' ' VAL . 40.0 mt-30 -157.19 144.01 13.38 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.654 0.74 . . . . 0.0 110.903 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.68 147.48 63.47 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.692 2.261 . . . . 0.0 112.392 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -127.69 136.33 51.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.942 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 25.6 m -108.68 102.52 11.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.184 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.524 ' HG ' ' N ' ' A' ' 26' ' ' GLY . 5.9 p -75.16 125.2 28.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.855 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 10.5 mp0 -91.68 -25.5 19.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.872 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 33.4 p -119.77 161.28 21.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.837 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -63.99 -40.29 96.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.956 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -53.38 -24.36 12.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -107.05 154.67 20.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 15.5 tt -121.58 141.63 41.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.139 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.524 ' N ' ' HG ' ' A' ' 19' ' ' SER . . . -107.47 129.7 9.78 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.486 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.497 ' CD1' HG23 ' A' ' 13' ' ' THR . 2.8 p90 -127.98 167.0 17.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.836 0.351 . . . . 0.0 110.901 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -98.61 174.82 6.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 51.3 tttt -94.0 120.98 35.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 111.06 32.33 2.64 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.531 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 17.3 m -130.3 -177.07 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.908 0.385 . . . . 0.0 111.121 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.457 HG21 ' N ' ' A' ' 33' ' ' VAL . 98.8 m -118.49 137.28 53.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.184 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.457 ' N ' HG21 ' A' ' 32' ' ' THR . 27.7 m -126.15 152.3 33.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.125 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.8 mp0 -107.38 109.32 21.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.942 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.437 HG13 ' CE3' ' A' ' 44' ' ' TRP . 80.2 t -72.64 114.57 11.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.16 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 22.5 mt -88.06 -59.71 2.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.096 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.838 -179.99 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.522 ' HB3' ' CZ3' ' A' ' 54' ' ' TRP . 7.7 m95 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.778 0.323 . . . . 0.0 110.968 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.437 ' CE3' HG13 ' A' ' 35' ' ' VAL . 9.0 m0 -121.72 105.08 10.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.412 ' CE2' ' HB3' ' A' ' 52' ' ' GLU . 3.2 t80 -62.95 104.93 0.61 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.904 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 12.5 pt -114.74 161.82 13.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.156 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 22.5 ttp180 -120.99 125.62 47.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.554 ' CE1' ' HG ' ' A' ' 49' ' ' LEU . 17.9 t80 -139.57 131.68 28.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.949 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.554 ' HG ' ' CE1' ' A' ' 48' ' ' TYR . 21.0 mt 60.62 40.99 15.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 61.31 36.58 92.67 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.479 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.9 mmmt -142.78 130.56 21.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.785 0.326 . . . . 0.0 110.915 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.412 ' HB3' ' CE2' ' A' ' 45' ' ' TYR . 51.4 mt-10 -99.71 126.2 45.71 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -151.77 170.64 31.23 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.47 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.522 ' CZ3' ' HB3' ' A' ' 43' ' ' TRP . 65.7 m95 -88.76 126.28 35.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.824 0.345 . . . . 0.0 110.904 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -132.81 144.36 52.57 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.58 0.705 . . . . 0.0 111.124 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 124.62 11.29 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.712 2.275 . . . . 0.0 112.342 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -53.5 -21.81 7.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.118 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 16.9 t -63.51 -29.48 70.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.844 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -95.52 15.7 19.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.93 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 13.1 mt -133.86 136.66 44.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.942 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.525 ' C ' ' CD2' ' A' ' 11' ' ' TYR . 4.0 ptmm? -124.87 144.46 50.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.477 ' HG2' ' CZ ' ' A' ' 11' ' ' TYR . 3.2 tmtp? -69.31 106.8 3.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.867 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.15 179.744 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.952 0.406 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 29.4 mttm -104.16 124.13 48.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.46 ' CD1' HG22 ' A' ' 35' ' ' VAL . 7.6 m-85 -110.74 165.84 11.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.86 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 15.0 p -127.87 144.59 37.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.158 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.54 HG22 ' CE1' ' A' ' 27' ' ' PHE . 67.5 p -85.99 136.65 33.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.422 ' O ' ' NE2' ' A' ' 15' ' ' GLN . 14.1 m -107.26 -15.37 9.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.125 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.422 ' NE2' ' O ' ' A' ' 14' ' ' VAL . 98.9 mm-40 -149.09 147.67 24.55 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.609 0.719 . . . . 0.0 110.919 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 141.08 44.29 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.639 2.226 . . . . 0.0 112.333 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 37.8 t80 -130.07 146.77 51.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.918 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 90.8 m -122.63 105.26 9.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.099 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 97.1 p -63.45 132.1 50.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 15.6 mp0 -77.95 -39.0 44.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.956 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.9 m -130.56 177.36 7.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.821 -179.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.0 pttp -61.56 -37.03 82.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.59 -33.62 15.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.883 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -106.99 154.35 21.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 13.2 tt -117.88 133.21 65.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.115 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -102.79 132.47 11.02 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.487 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.54 ' CE1' HG22 ' A' ' 13' ' ' THR . 1.1 p90 -133.61 -179.95 5.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.832 0.349 . . . . 0.0 110.851 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -101.39 176.81 5.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.864 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 28.4 tttt -96.44 118.14 32.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 114.88 26.73 3.47 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.498 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.0 m -123.14 162.11 23.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.948 0.404 . . . . 0.0 111.116 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 84.8 m -96.35 136.61 36.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.166 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 19.6 m -129.81 155.61 41.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.061 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -112.07 126.28 55.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.46 HG22 ' CD1' ' A' ' 11' ' ' TYR . 22.1 t -89.51 108.04 18.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.085 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 93.1 mt -77.19 -65.38 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.169 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 40.1 mtt180 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.81 179.953 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 41.0 m95 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.8 0.333 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.505 ' CE2' ' HB1' ' A' ' 57' ' ' ALA . 7.1 m0 -116.41 104.52 11.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.91 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.556 ' CE2' ' HB3' ' A' ' 52' ' ' GLU . 12.0 t80 -51.48 110.53 0.46 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.915 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 8.0 pt -116.33 170.76 5.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.089 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 51.6 ttp180 -131.11 127.97 39.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.814 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.479 ' CZ ' ' HG ' ' A' ' 49' ' ' LEU . 19.1 t80 -141.07 135.86 31.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.882 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.479 ' HG ' ' CZ ' ' A' ' 48' ' ' TYR . 12.7 mt 60.64 32.29 20.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.987 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 72.12 21.16 79.29 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.448 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.64 125.56 36.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.761 0.315 . . . . 0.0 110.919 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.556 ' HB3' ' CE2' ' A' ' 45' ' ' TYR . 3.1 mp0 -97.75 126.71 43.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.948 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -155.03 175.97 32.86 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.483 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 61.9 m95 -85.28 124.83 32.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.773 0.32 . . . . 0.0 110.898 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -130.74 146.87 63.81 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.569 0.7 . . . . 0.0 111.103 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 123.98 10.64 Favored 'Trans proline' 0 N--CA 1.466 -0.133 0 C-N-CA 122.73 2.287 . . . . 0.0 112.337 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.505 ' HB1' ' CE2' ' A' ' 44' ' ' TRP . . . -56.95 -24.53 53.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.062 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.0 m -61.74 -36.72 81.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.905 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -89.66 26.2 1.81 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.956 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.1 mt -146.32 138.95 25.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.938 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.431 ' C ' ' CD2' ' A' ' 11' ' ' TYR . 18.5 ptmt -140.22 138.04 34.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.17 111.09 0.7 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.839 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.062 179.857 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.898 0.38 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.464 ' CE ' HG21 ' A' ' 32' ' ' THR . 33.8 mtpt -76.69 112.79 13.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -100.79 173.61 6.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 63.0 t -123.98 136.82 59.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.155 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 43.1 p -90.17 117.24 28.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.427 ' CG1' ' HD3' ' A' ' 61' ' ' LYS . 16.8 m -87.38 -8.97 11.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.141 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -150.33 144.08 17.13 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.565 0.698 . . . . 0.0 110.917 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 151.12 68.82 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.661 2.241 . . . . 0.0 112.346 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -132.91 138.39 46.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 58.1 m -105.82 116.3 31.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.124 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.413 ' HB3' ' C ' ' A' ' 25' ' ' ILE . 22.3 p -76.58 119.36 20.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.811 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 96.1 mm-40 -83.86 -31.2 25.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.872 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 31.1 m -143.37 160.1 41.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.847 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 43.8 tttm -46.61 -41.59 14.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.877 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -48.78 -35.71 14.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.902 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -106.86 145.13 32.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.413 ' C ' ' HB3' ' A' ' 19' ' ' SER . 16.3 tt -107.28 144.56 15.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.092 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -108.06 131.09 10.42 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.426 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 1.8 p90 -134.34 170.64 15.43 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.787 0.327 . . . . 0.0 110.83 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -103.67 178.56 4.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.837 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 59.5 tttt -94.7 122.98 37.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 106.28 35.67 2.86 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.469 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 16.2 m -132.42 173.88 14.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.916 0.389 . . . . 0.0 111.082 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.464 HG21 ' CE ' ' A' ' 10' ' ' LYS . 78.6 m -109.67 133.85 52.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.159 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.412 ' N ' HG23 ' A' ' 32' ' ' THR . 30.9 m -123.79 141.91 42.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.092 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -99.36 113.5 25.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.915 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 74.8 t -79.93 114.36 20.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.156 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 18.9 mt -83.81 -60.94 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.186 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.414 ' HB3' ' CZ3' ' A' ' 54' ' ' TRP . 31.3 m95 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.779 0.323 . . . . 0.0 110.974 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 9.1 m0 -121.31 107.49 12.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.957 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -68.1 115.46 7.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.967 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 34.0 pt -123.18 168.21 15.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.14 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 30.6 ttt180 -123.92 123.92 41.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.881 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.57 ' CE1' ' HG ' ' A' ' 49' ' ' LEU . 23.9 t80 -137.66 130.08 29.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.888 -179.8 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.57 ' HG ' ' CE1' ' A' ' 48' ' ' TYR . 53.7 mt 60.24 42.15 15.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.944 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 63.27 27.88 71.36 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.495 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.2 ttmm -133.25 130.85 39.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.779 0.323 . . . . 0.0 110.902 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.409 ' N ' ' OE1' ' A' ' 52' ' ' GLU . 2.6 mp0 -106.13 120.44 41.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -146.1 -175.35 19.06 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.45 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.414 ' CZ3' ' HB3' ' A' ' 43' ' ' TRP . 38.8 m95 -97.21 133.01 42.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.72 0.295 . . . . 0.0 110.988 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -144.28 147.0 35.43 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.614 0.721 . . . . 0.0 111.046 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 126.52 13.42 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.734 2.29 . . . . 0.0 112.337 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.58 -12.59 10.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.097 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.8 m -68.58 -26.67 65.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -97.24 20.61 11.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.925 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 19.0 mt -136.31 138.85 42.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.914 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.427 ' HD3' ' CG1' ' A' ' 14' ' ' VAL . 53.4 pttt -131.45 135.82 47.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 179.785 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.58 114.24 3.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.941 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.131 179.834 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.867 0.365 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 23.8 mttp -85.77 113.48 21.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.932 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -107.91 163.77 12.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.985 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 85.2 t -119.59 142.56 34.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.115 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.464 HG22 ' CD1' ' A' ' 27' ' ' PHE . 30.6 p -90.79 145.42 24.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.429 ' O ' ' NZ ' ' A' ' 29' ' ' LYS . 4.4 m -116.48 -4.88 11.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.114 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 -155.33 144.01 14.75 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.657 0.742 . . . . 0.0 110.955 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 134.53 28.22 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.709 2.273 . . . . 0.0 112.279 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -117.61 129.62 55.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 91.3 m -100.04 103.3 14.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.186 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.419 ' HB3' ' N ' ' A' ' 26' ' ' GLY . 51.7 p -60.79 140.48 57.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.817 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -101.74 -31.84 10.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.91 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.1 t -139.57 159.6 41.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 34.6 mtmt -48.64 -40.29 27.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.902 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -49.39 -42.76 43.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.877 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.7 mp0 -99.52 147.95 24.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 12.3 tt -113.15 140.0 35.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.113 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.419 ' N ' ' HB3' ' A' ' 19' ' ' SER . . . -105.41 129.24 9.72 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.503 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.464 ' CD1' HG22 ' A' ' 13' ' ' THR . 2.6 p90 -126.75 169.43 13.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.833 0.349 . . . . 0.0 110.852 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -96.0 179.0 5.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.894 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.429 ' NZ ' ' O ' ' A' ' 14' ' ' VAL . 16.3 tttp -98.23 121.15 39.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.927 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.66 26.6 6.08 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.495 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 15.3 m -121.45 175.81 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.847 0.355 . . . . 0.0 111.167 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 95.3 m -107.61 139.41 42.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.106 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 16.9 m -131.79 152.03 36.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.166 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -107.66 116.56 32.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.929 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 92.7 t -86.9 117.41 31.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.136 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.462 ' CD1' ' HG2' ' A' ' 52' ' ' GLU . 32.6 mt -92.73 -54.45 7.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.141 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 36.1 mtp180 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 179.945 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.523 ' CZ3' ' HB3' ' A' ' 54' ' ' TRP . 21.9 m95 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.789 0.328 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 8.6 m0 -122.48 109.42 14.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.926 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -66.95 115.25 6.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.003 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 22.6 pt -126.93 169.67 18.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.101 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 20.6 ttt180 -128.06 125.9 40.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.819 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.518 ' CE1' ' HG ' ' A' ' 49' ' ' LEU . 17.1 t80 -136.14 132.13 35.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.923 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.518 ' HG ' ' CE1' ' A' ' 48' ' ' TYR . 19.8 mt 60.19 35.52 21.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.843 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 69.19 34.88 76.29 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.519 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.4 ttpt -141.9 124.72 16.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.687 0.28 . . . . 0.0 110.878 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.462 ' HG2' ' CD1' ' A' ' 36' ' ' ILE . 66.1 mt-10 -95.96 121.72 38.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.928 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -147.31 -178.14 22.36 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.48 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.523 ' HB3' ' CZ3' ' A' ' 43' ' ' TRP . 59.2 m95 -92.55 134.05 35.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.793 0.33 . . . . 0.0 110.904 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -143.28 144.16 27.24 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.557 0.694 . . . . 0.0 111.079 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 126.6 13.48 Favored 'Trans proline' 0 N--CA 1.466 -0.146 0 C-N-CA 122.704 2.269 . . . . 0.0 112.334 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.53 -9.96 6.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.108 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 13.7 t -76.43 -22.43 54.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -98.85 15.22 26.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.949 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.5 mt -133.54 146.34 50.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.931 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.2 pttp -134.12 134.59 42.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 9.6 tmtt? -60.02 121.15 11.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.927 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.139 179.816 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 69.8 mt-10 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.881 0.372 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 48.1 mttt -79.25 115.83 19.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.538 ' CE1' ' HD2' ' A' ' 62' ' ' LYS . 3.5 m-85 -104.77 -178.44 3.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.863 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 24.1 t -136.18 139.08 46.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.129 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.545 HG23 ' CE1' ' A' ' 27' ' ' PHE . 35.2 p -89.51 121.37 31.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.095 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.6 m -92.34 -10.89 9.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.109 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -144.47 146.35 32.3 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.562 0.696 . . . . 0.0 110.899 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 153.85 68.55 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.631 2.221 . . . . 0.0 112.361 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -133.8 124.63 26.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.944 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 41.0 m -93.22 110.85 22.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.151 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 30.1 p -85.02 154.77 21.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -129.77 -33.29 1.83 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 42.5 t -130.76 149.76 52.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.054 0.454 . . . . 0.0 110.814 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 11.0 tppt? -41.18 -45.15 2.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.955 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.11 -44.05 10.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.829 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 75.5 mt-10 -99.26 150.55 21.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 15.4 tt -120.86 140.94 43.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.175 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -108.42 129.39 9.55 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.498 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.545 ' CE1' HG23 ' A' ' 13' ' ' THR . 2.7 p90 -133.91 157.94 44.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.782 0.325 . . . . 0.0 110.938 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -87.15 168.9 12.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.2 tttm -87.91 118.48 27.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 111.39 29.27 3.48 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.538 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 16.3 m -121.93 173.54 7.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.887 0.375 . . . . 0.0 111.134 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 89.5 m -106.5 138.7 42.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.185 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 24.9 m -135.76 150.27 28.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.137 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -104.15 115.65 30.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 98.2 t -79.2 100.86 4.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 52.2 mt -72.5 -52.13 25.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.131 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 55.9 mtm-85 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.942 179.95 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.489 ' HB3' ' CZ3' ' A' ' 54' ' ' TRP . 18.1 m95 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.771 0.319 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 7.7 m0 -122.31 102.85 8.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.878 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -61.87 118.57 7.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.961 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 19.9 pt -127.78 168.88 20.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.148 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 22.8 ttp180 -128.79 119.93 25.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.528 ' CE1' ' HG ' ' A' ' 49' ' ' LEU . 14.7 t80 -132.94 132.48 42.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.528 ' HG ' ' CE1' ' A' ' 48' ' ' TYR . 11.8 mt 59.08 41.87 19.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.928 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 61.21 38.78 96.2 Favored Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.513 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 26.5 ttmt -147.02 129.0 15.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.773 0.32 . . . . 0.0 110.929 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.7 mp0 -98.74 128.41 44.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -150.91 174.95 30.09 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.463 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.489 ' CZ3' ' HB3' ' A' ' 43' ' ' TRP . 44.4 m95 -90.31 126.75 35.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.784 0.326 . . . . 0.0 110.963 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -138.37 144.65 43.67 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.541 0.686 . . . . 0.0 111.125 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 125.91 12.69 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.661 2.241 . . . . 0.0 112.386 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.4 -27.06 9.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.075 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 73.5 m -60.1 -30.99 69.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.816 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -93.98 25.13 3.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.93 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.0 mt -147.73 141.08 25.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.934 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 31.1 pttt -142.1 130.62 22.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.914 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.538 ' HD2' ' CE1' ' A' ' 11' ' ' TYR . 12.7 tptm -51.4 113.32 0.93 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.125 179.848 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.886 0.374 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 54.7 mttp -107.55 120.31 41.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.947 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.471 ' CD2' ' N ' ' A' ' 62' ' ' LYS . 5.9 m-85 -105.65 -177.79 3.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.946 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 54.4 t -132.15 142.69 42.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.111 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.537 HG21 ' CE1' ' A' ' 27' ' ' PHE . 57.1 p -94.87 120.28 34.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.126 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.419 ' CG1' ' HD3' ' A' ' 61' ' ' LYS . 13.6 m -88.38 -15.11 9.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.138 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 20.1 mm100 -148.48 146.92 23.76 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.622 0.725 . . . . 0.0 110.893 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 152.7 69.32 Favored 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 122.662 2.241 . . . . 0.0 112.428 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -128.85 149.45 50.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.009 0.433 . . . . 0.0 110.909 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.424 HG21 ' NE2' ' A' ' 20' ' ' GLN . 94.6 m -117.97 104.69 11.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.129 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.409 ' HB3' ' C ' ' A' ' 25' ' ' ILE . 87.8 p -76.72 117.23 18.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.816 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.424 ' NE2' HG21 ' A' ' 18' ' ' THR . 15.7 mp0 -74.66 -41.8 59.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.948 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 47.3 m -121.22 165.43 15.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.0 pttt -56.83 -28.79 62.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.861 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.06 -39.1 68.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.866 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -99.63 164.1 12.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.893 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.409 ' C ' ' HB3' ' A' ' 19' ' ' SER . 15.1 tt -124.83 140.49 47.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.126 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -107.66 119.96 5.95 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.448 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.537 ' CE1' HG21 ' A' ' 13' ' ' THR . 3.5 p90 -123.93 168.2 13.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.794 0.331 . . . . 0.0 110.918 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -100.15 173.4 6.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 29.7 tttm -89.18 124.38 34.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.66 37.17 2.64 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.482 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.5 m -133.59 174.87 12.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.877 0.37 . . . . 0.0 111.167 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 60.9 m -109.41 133.48 53.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.114 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 35.9 m -127.72 141.84 45.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 -98.01 112.22 24.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.891 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 64.2 t -78.37 108.49 11.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.119 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 59.4 mt -75.97 -62.85 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.092 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 36.6 mmt180 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 179.947 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 16.8 m95 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.843 0.354 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 7.6 m0 -125.53 110.01 13.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.941 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -69.5 121.95 18.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.864 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 23.3 pt -132.0 161.59 41.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.146 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 45.4 ttt180 -118.3 122.53 43.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.878 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.494 ' CE2' HD12 ' A' ' 49' ' ' LEU . 27.6 t80 -136.19 132.13 35.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.926 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.494 HD12 ' CE2' ' A' ' 48' ' ' TYR . 76.3 mt 59.96 39.15 20.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.928 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 62.42 33.17 85.5 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.463 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 20.2 ttmt -139.38 131.65 28.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.747 0.308 . . . . 0.0 110.9 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -96.73 131.12 43.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.898 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -157.78 169.35 34.56 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.484 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 42.4 m95 -86.14 122.27 29.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.796 0.331 . . . . 0.0 110.959 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -124.91 144.14 46.03 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.575 0.702 . . . . 0.0 111.07 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 125.87 12.61 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.689 2.259 . . . . 0.0 112.315 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.47 -18.61 11.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.083 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 72.5 m -69.9 -35.56 74.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.791 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -90.09 21.54 3.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.906 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 11.1 mt -139.39 136.01 34.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.96 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.464 ' C ' ' CD2' ' A' ' 11' ' ' TYR . 61.2 pttt -133.81 133.89 42.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.908 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.471 ' N ' ' CD2' ' A' ' 11' ' ' TYR . 21.1 tttt -51.12 124.88 12.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.077 179.861 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.1 mp0 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.944 0.402 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 34.8 mttt -82.38 112.41 19.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.82 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.553 ' CE1' ' HD2' ' A' ' 62' ' ' LYS . 4.1 m-85 -107.36 174.41 5.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.971 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.456 HG23 ' N ' ' A' ' 13' ' ' THR . 11.2 p -133.4 152.53 35.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.09 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.538 HG23 ' CD1' ' A' ' 27' ' ' PHE . 42.9 p -98.35 115.17 27.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.095 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 20.4 m -87.04 -7.51 10.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.151 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.551 ' HB2' ' CD2' ' A' ' 59' ' ' TYR . 37.3 mt-30 -151.83 145.85 18.13 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.591 0.71 . . . . 0.0 110.897 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 150.8 68.16 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.625 2.217 . . . . 0.0 112.353 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -133.31 149.13 51.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 73.8 m -114.43 116.59 29.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.12 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.467 ' HB3' ' N ' ' A' ' 26' ' ' GLY . 79.0 p -79.0 125.29 29.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.858 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 16.6 mp0 -83.46 -41.39 18.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.912 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.7 m -135.49 167.74 20.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.841 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' ' 23' ' ' ASP . 9.9 ptpp? -48.65 -41.58 31.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.928 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.42 ' N ' ' HG3' ' A' ' 22' ' ' LYS . 0.7 OUTLIER -45.09 -43.06 9.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.914 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -100.06 157.68 16.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 14.8 tt -123.24 134.96 64.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.096 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.467 ' N ' ' HB3' ' A' ' 19' ' ' SER . . . -98.33 130.51 10.25 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.538 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.538 ' CD1' HG23 ' A' ' 13' ' ' THR . 3.4 p90 -130.36 178.55 6.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.791 0.329 . . . . 0.0 110.899 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -110.16 170.34 8.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.865 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 57.7 tttt -86.98 123.76 32.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.95 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.0 35.7 3.12 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.467 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.9 m -132.16 160.69 42.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.833 0.349 . . . . 0.0 111.13 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 91.2 m -91.74 143.5 26.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.166 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 31.1 m -135.64 152.78 31.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.208 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 21.2 mp0 -109.58 108.4 18.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.861 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 63.2 t -75.31 103.09 2.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.112 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 56.5 mt -74.1 -63.7 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.165 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 41.3 mmm-85 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.94 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 9.9 m95 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.735 0.302 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 9.1 m0 -116.39 108.0 15.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.959 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.547 ' CE2' ' HB3' ' A' ' 52' ' ' GLU . 3.0 t80 -67.35 114.35 5.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.973 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 7.2 pt -120.81 163.75 18.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.09 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 45.3 ttt85 -123.55 119.99 31.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.859 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.492 ' CE1' ' HG ' ' A' ' 49' ' ' LEU . 24.5 t80 -131.81 129.19 40.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 -179.825 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.492 ' HG ' ' CE1' ' A' ' 48' ' ' TYR . 77.9 mt 61.38 37.85 16.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.961 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 67.81 22.58 73.82 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.507 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 42.8 mmtt -127.1 134.62 50.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.806 0.336 . . . . 0.0 110.875 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.547 ' HB3' ' CE2' ' A' ' 45' ' ' TYR . 31.8 mt-10 -103.98 128.53 51.53 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.87 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -152.14 174.66 31.08 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.488 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 16.3 m95 -92.67 119.77 32.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.761 0.315 . . . . 0.0 110.946 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -125.79 144.66 49.09 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.608 0.718 . . . . 0.0 111.075 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 117.94 5.38 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.625 2.216 . . . . 0.0 112.339 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -49.09 -20.91 0.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.105 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 67.8 m -61.33 -41.01 96.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.551 ' CD2' ' HB2' ' A' ' 15' ' ' GLN . 2.6 m-85 -90.97 26.66 2.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.946 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 15.4 mt -139.95 144.66 37.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.855 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.5 ptmt -152.88 135.73 15.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.553 ' HD2' ' CE1' ' A' ' 11' ' ' TYR . 12.9 tptm -52.85 119.82 5.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.127 179.814 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.897 0.38 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 49.5 mttt -88.98 121.16 31.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.469 ' CD1' HG22 ' A' ' 35' ' ' VAL . 10.9 m-85 -106.85 166.8 10.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 79.9 t -124.71 138.73 53.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.101 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.423 HG21 ' CE1' ' A' ' 27' ' ' PHE . 19.3 p -87.55 142.63 27.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.5 m -114.64 -6.08 11.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.06 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 93.4 mm-40 -155.49 143.98 14.62 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.56 0.695 . . . . 0.0 110.991 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 128.89 16.71 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.718 2.279 . . . . 0.0 112.323 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.408 ' CE1' ' HG3' ' A' ' 56' ' ' PRO . 62.5 t80 -109.55 133.02 53.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.967 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 90.0 m -105.39 98.85 8.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.172 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.415 ' HB3' ' C ' ' A' ' 25' ' ' ILE . 21.4 p -81.43 124.61 29.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.875 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -112.38 27.24 9.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.876 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.1 p -150.45 133.52 16.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.897 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.1 ptpt -50.5 -39.2 47.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.935 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.45 -28.94 69.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -101.98 164.6 11.63 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.415 ' C ' ' HB3' ' A' ' 19' ' ' SER . 13.1 tt -130.45 144.36 38.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.082 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -111.51 136.25 13.43 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.482 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.423 ' CE1' HG21 ' A' ' 13' ' ' THR . 7.2 p90 -130.93 177.7 7.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.783 0.325 . . . . 0.0 110.92 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -108.96 165.37 11.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 42.1 tttt -83.32 129.34 34.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 99.33 25.8 9.18 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.502 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 26.1 m -120.71 -177.77 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.979 0.418 . . . . 0.0 111.118 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.4 m -115.0 142.15 47.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.162 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 36.0 m -133.81 160.72 41.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.143 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -119.43 115.67 24.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.91 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.469 HG22 ' CD1' ' A' ' 11' ' ' TYR . 42.1 t -81.64 107.87 14.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.094 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 77.2 mt -76.62 -67.85 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.106 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.7 mmt180 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.827 179.996 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 56.3 m95 . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.714 0.292 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.528 ' CH2' ' HB2' ' A' ' 57' ' ' ALA . 8.2 m0 -117.8 107.86 14.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -55.47 105.9 0.21 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 7.1 pt -107.08 175.61 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.173 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 12.2 ttm180 -133.22 131.68 40.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.899 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.459 ' CZ ' ' HG ' ' A' ' 49' ' ' LEU . 26.3 t80 -150.28 147.62 27.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.962 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.459 ' HG ' ' CZ ' ' A' ' 48' ' ' TYR . 11.3 mt 53.62 40.26 31.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.928 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 60.05 32.95 77.31 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.414 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.412 ' O ' ' CD1' ' A' ' 25' ' ' ILE . 39.7 mtmt -149.39 129.32 13.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.784 0.326 . . . . 0.0 110.873 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -96.16 140.77 30.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -163.64 178.27 39.21 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.48 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 78.0 m95 -86.78 135.03 33.51 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.758 0.313 . . . . 0.0 110.931 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -147.76 144.01 18.6 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.58 0.705 . . . . 0.0 111.123 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.408 ' HG3' ' CE1' ' A' ' 17' ' ' TYR . 54.4 Cg_endo -69.66 117.86 5.33 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.668 2.245 . . . . 0.0 112.438 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.528 ' HB2' ' CH2' ' A' ' 44' ' ' TRP . . . -53.81 -16.88 1.96 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.118 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.9 t -63.27 -30.24 71.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -92.21 12.23 23.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.902 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.423 HD21 ' CZ ' ' A' ' 27' ' ' PHE . 10.0 mt -133.04 146.36 51.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.927 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.16 131.36 34.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 29.2 tttt -57.59 118.0 4.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.092 179.857 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.874 0.369 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 27.5 mttp -81.93 111.76 18.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.563 ' CD1' HG22 ' A' ' 35' ' ' VAL . 6.3 m-85 -102.62 -179.77 4.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 81.3 t -132.07 144.32 37.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.152 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.562 HG21 ' CD1' ' A' ' 27' ' ' PHE . 57.2 p -94.46 130.67 40.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.144 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.8 m -100.16 -11.45 8.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.071 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.54 ' HB2' ' CD2' ' A' ' 59' ' ' TYR . 14.9 mm-40 -147.26 144.24 19.33 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.528 0.68 . . . . 0.0 110.939 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 146.42 60.2 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.724 2.283 . . . . 0.0 112.3 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -134.44 137.78 44.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.993 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 86.4 m -113.5 124.21 51.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.102 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 34.5 p -70.88 140.95 51.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 42.3 mm-40 -104.24 -47.95 4.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.903 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.8 t -110.71 -176.51 2.99 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.36 33.97 0.63 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.905 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -128.59 -30.28 2.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.5 mp0 -98.17 157.4 16.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 15.7 tt -120.69 138.03 52.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.115 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -99.26 123.53 7.93 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.511 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.562 ' CD1' HG21 ' A' ' 13' ' ' THR . 5.0 p90 -123.42 151.35 42.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.804 0.335 . . . . 0.0 110.882 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -88.32 168.8 12.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.891 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 28.0 tttm -86.75 127.61 34.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 99.17 33.35 5.48 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.487 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 15.6 m -127.58 173.72 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.904 0.383 . . . . 0.0 111.134 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.435 HG23 ' N ' ' A' ' 33' ' ' VAL . 97.5 m -110.03 138.54 46.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.176 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.435 ' N ' HG23 ' A' ' 32' ' ' THR . 29.5 m -129.91 168.41 23.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.149 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -122.4 106.54 11.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.563 HG22 ' CD1' ' A' ' 11' ' ' TYR . 58.6 t -71.07 94.58 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.059 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.408 ' CD1' ' HG2' ' A' ' 52' ' ' GLU . 44.9 mt -65.78 -57.04 12.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.082 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.834 179.975 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.467 ' HB3' ' CZ3' ' A' ' 54' ' ' TRP . 24.4 m95 . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.763 0.316 . . . . 0.0 110.945 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.552 ' CD1' ' HB1' ' A' ' 57' ' ' ALA . 11.3 m0 -119.12 111.29 18.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.964 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.488 ' CE2' ' HB3' ' A' ' 52' ' ' GLU . 4.1 t80 -74.75 123.98 25.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 -179.833 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 18.7 pt -134.55 168.68 23.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.158 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 32.5 ttt180 -126.29 117.45 23.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.941 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.516 ' CE1' ' HG ' ' A' ' 49' ' ' LEU . 14.9 t80 -130.49 132.47 45.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 -179.797 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.516 ' HG ' ' CE1' ' A' ' 48' ' ' TYR . 16.0 mt 62.33 36.34 14.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.894 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 65.13 34.18 88.99 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.478 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.45 134.01 28.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.665 0.269 . . . . 0.0 110.891 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.488 ' HB3' ' CE2' ' A' ' 45' ' ' TYR . 9.8 mt-10 -100.65 133.08 45.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.899 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -156.26 173.11 34.15 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.439 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.467 ' CZ3' ' HB3' ' A' ' 43' ' ' TRP . 37.4 m95 -87.44 116.71 25.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.719 0.295 . . . . 0.0 110.924 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -117.95 144.73 35.22 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.561 0.696 . . . . 0.0 111.134 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 146.24 59.97 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.714 2.276 . . . . 0.0 112.335 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.552 ' HB1' ' CD1' ' A' ' 44' ' ' TRP . . . -84.32 23.5 1.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.097 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 12.8 t -114.4 -22.51 9.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.54 ' CD2' ' HB2' ' A' ' 15' ' ' GLN . 7.4 m-85 -104.88 27.47 8.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.879 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 16.1 mt -136.9 144.18 43.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.875 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.63 131.72 26.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? -57.73 117.58 4.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.078 179.829 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.938 0.399 . . . . 0.0 110.825 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.1 mtmm -100.82 124.77 46.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.405 ' CD2' ' N ' ' A' ' 62' ' ' LYS . 6.8 m-85 -111.3 178.18 4.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.907 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 60.1 t -130.35 145.12 36.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.113 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.9 p -92.26 129.19 38.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.094 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.42 ' CG1' ' HD3' ' A' ' 61' ' ' LYS . 8.4 m -101.27 -9.47 9.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.161 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -150.75 144.01 16.88 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.625 0.726 . . . . 0.0 110.877 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.88 138.96 38.67 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.635 2.223 . . . . 0.0 112.281 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -123.75 133.55 53.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.934 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 92.7 m -102.74 119.85 39.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.185 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 68.9 p -81.66 121.98 27.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 20.4 mp0 -84.34 -29.88 25.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.903 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.0 m -133.83 156.92 47.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.829 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.2 ptmt -49.86 -43.06 48.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -44.93 -36.82 3.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -99.09 158.96 15.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 14.9 tt -122.02 129.24 75.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.081 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -92.81 125.26 8.08 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.481 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -126.01 167.61 15.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.789 0.328 . . . . 0.0 110.923 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -104.1 172.54 6.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 36.9 tttt -88.93 119.21 29.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 110.45 34.61 2.25 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.472 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.1 m -131.43 170.7 19.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.915 0.388 . . . . 0.0 111.171 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.9 m -105.91 140.29 39.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.149 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 17.8 m -132.25 149.32 32.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.14 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.441 ' OE1' ' NH2' ' A' ' 47' ' ' ARG . 17.1 mt-10 -107.8 113.53 26.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 33.8 t -78.07 116.23 21.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.13 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 13.7 mt -89.02 -53.8 8.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.133 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 13.4 mmm180 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 179.977 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.491 ' HB3' ' CZ3' ' A' ' 54' ' ' TRP . 34.4 m95 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.811 0.339 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.516 ' CD1' ' HB1' ' A' ' 57' ' ' ALA . 23.1 m0 -106.52 104.48 14.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.949 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.489 ' CE2' ' HB3' ' A' ' 52' ' ' GLU . 4.7 t80 -63.43 114.49 3.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.945 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 22.1 pt -124.05 161.93 26.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.133 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.441 ' NH2' ' OE1' ' A' ' 34' ' ' GLU . 3.0 ttp-105 -121.77 127.36 50.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.482 ' CE1' ' HG ' ' A' ' 49' ' ' LEU . 15.9 t80 -137.93 133.18 33.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.922 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.482 ' HG ' ' CE1' ' A' ' 48' ' ' TYR . 14.4 mt 62.4 34.75 15.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.85 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 68.15 31.79 75.41 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.436 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.7 ttpp -138.77 131.01 28.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.723 0.297 . . . . 0.0 110.882 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.489 ' HB3' ' CE2' ' A' ' 45' ' ' TYR . 11.0 mt-10 -98.86 126.67 44.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.879 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -148.87 177.13 27.31 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.471 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.491 ' CZ3' ' HB3' ' A' ' 43' ' ' TRP . 28.7 m95 -89.09 125.84 35.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.803 0.335 . . . . 0.0 110.944 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -133.02 145.05 55.36 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.576 0.703 . . . . 0.0 111.156 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 147.26 62.7 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.674 2.249 . . . . 0.0 112.35 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.516 ' HB1' ' CD1' ' A' ' 44' ' ' TRP . . . -84.62 23.34 1.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.089 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 65.5 m -112.39 -28.95 7.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.836 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -96.19 26.22 4.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.967 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 20.9 mt -140.26 140.72 35.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.937 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.42 ' HD3' ' CG1' ' A' ' 14' ' ' VAL . 16.4 pttp -132.07 132.82 43.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.405 ' N ' ' CD2' ' A' ' 11' ' ' TYR . 31.1 tttm -53.0 123.34 11.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 179.804 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.09 179.878 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 49.1 mm-40 . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.92 0.39 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.462 ' CE ' HG23 ' A' ' 32' ' ' THR . 34.5 mtpt -78.13 112.05 14.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.933 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -100.65 177.63 4.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.939 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 96.4 t -130.24 142.77 42.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.07 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.52 HG21 ' CE1' ' A' ' 27' ' ' PHE . 57.0 p -93.98 120.96 34.96 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.142 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.8 m -87.62 -12.72 10.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.099 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -148.15 145.06 19.7 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.599 0.714 . . . . 0.0 110.939 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.79 151.53 68.9 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.638 2.225 . . . . 0.0 112.327 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -128.15 148.86 50.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 10.5 m -117.64 105.31 11.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.102 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.428 ' OG ' ' N ' ' A' ' 25' ' ' ILE . 2.3 m -96.16 138.66 33.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.845 -179.822 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -125.31 25.01 7.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.8 m -162.76 141.12 8.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.0 pttt -44.58 -49.5 10.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -47.2 -38.6 12.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.853 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -100.64 158.39 15.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.428 ' N ' ' OG ' ' A' ' 19' ' ' SER . 14.6 tt -132.28 135.06 58.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.07 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.416 ' N ' ' HB2' ' A' ' 19' ' ' SER . . . -104.39 129.42 9.84 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.494 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.52 ' CE1' HG21 ' A' ' 13' ' ' THR . 1.9 p90 -130.85 170.89 13.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.829 0.347 . . . . 0.0 110.855 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -99.66 178.89 4.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.967 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 28.6 tttm -94.21 125.0 38.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 103.13 38.88 2.77 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.449 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 6.3 m -133.48 171.21 18.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.895 0.379 . . . . 0.0 111.139 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.462 HG23 ' CE ' ' A' ' 10' ' ' LYS . 95.8 m -106.36 134.1 50.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.17 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 35.2 m -121.76 147.72 25.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.123 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 80.4 mt-10 -99.47 109.19 21.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.925 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 47.5 t -75.0 106.31 4.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 47.0 mt -80.93 -64.09 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.119 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 7.4 mtp85 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 179.961 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.532 ' CZ3' ' HB3' ' A' ' 54' ' ' TRP . 36.8 m95 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.795 0.331 . . . . 0.0 110.846 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 8.3 m0 -123.78 106.36 10.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.43 ' CE2' ' HB3' ' A' ' 52' ' ' GLU . 2.6 t80 -65.44 117.32 7.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.938 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 14.2 pt -126.14 163.64 27.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.182 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 38.4 ttt180 -121.99 119.85 32.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.837 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.458 ' CE2' HD11 ' A' ' 49' ' ' LEU . 44.1 t80 -134.42 131.48 38.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.014 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.458 HD11 ' CE2' ' A' ' 48' ' ' TYR . 13.2 mt 62.51 36.39 14.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.939 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 66.83 30.35 76.02 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.492 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.6 mtpm? -138.5 129.95 27.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.765 0.317 . . . . 0.0 110.91 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.43 ' HB3' ' CE2' ' A' ' 45' ' ' TYR . 2.0 mp0 -100.01 119.73 38.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -140.8 -177.7 16.44 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.458 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.532 ' HB3' ' CZ3' ' A' ' 43' ' ' TRP . 33.7 m95 -96.61 131.41 43.29 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.845 0.355 . . . . 0.0 110.929 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -140.63 144.28 35.69 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.606 0.717 . . . . 0.0 111.073 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 129.28 17.27 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.694 2.263 . . . . 0.0 112.386 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.14 -19.38 7.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.087 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 62.9 m -67.11 -35.97 80.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.828 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -88.62 22.61 2.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.9 mt -141.94 137.15 31.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.8 ptmt -131.73 130.75 42.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.6 tttm -54.37 113.25 1.2 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.874 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.08 179.866 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.934 0.397 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 78.3 mttt -85.83 116.12 23.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.959 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.512 ' CE2' ' N ' ' A' ' 62' ' ' LYS . 5.9 m-85 -104.69 -177.99 3.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 39.4 t -132.89 146.94 31.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.142 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.437 HG23 ' CE1' ' A' ' 27' ' ' PHE . 70.7 p -91.96 145.01 24.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.085 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.2 m -116.56 -9.1 12.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.154 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 36.3 mm-40 -154.56 144.05 15.24 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.622 0.725 . . . . 0.0 110.883 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 141.59 45.52 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.711 2.274 . . . . 0.0 112.293 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 41.7 t80 -128.52 140.13 51.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.4 m -110.87 118.75 36.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.211 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.446 ' OG ' ' N ' ' A' ' 25' ' ' ILE . 2.0 m -99.97 125.18 45.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -110.0 27.88 9.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 35.5 t -159.23 135.62 9.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.8 tttp -45.43 -39.27 6.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.843 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -58.84 -36.38 74.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.797 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -101.59 151.79 21.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.446 ' N ' ' OG ' ' A' ' 19' ' ' SER . 12.3 tt -120.86 141.17 42.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.126 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.429 ' N ' ' HB2' ' A' ' 19' ' ' SER . . . -103.62 126.73 8.9 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.506 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.437 ' CE1' HG23 ' A' ' 13' ' ' THR . 21.7 p90 -128.38 172.4 11.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.819 0.342 . . . . 0.0 110.897 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -102.66 -176.02 2.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 35.1 tttt -102.15 115.93 31.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 112.79 27.44 3.78 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.513 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 6.0 m -120.28 173.58 6.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.901 0.381 . . . . 0.0 111.108 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 98.5 m -106.93 139.28 41.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.111 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 30.1 m -134.72 146.9 30.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.177 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -102.04 111.55 23.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.923 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 61.9 t -70.54 122.68 22.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.161 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 18.0 mt -101.64 -70.18 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.169 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 40.8 mmt180 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.934 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.564 ' HB3' ' CZ3' ' A' ' 54' ' ' TRP . 12.8 m95 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.761 0.315 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 29.2 m0 -114.53 100.74 8.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.962 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.464 ' CE2' ' HB3' ' A' ' 52' ' ' GLU . 12.3 t80 -63.98 102.87 0.53 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.88 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 16.2 pt -109.09 168.92 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.099 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 24.6 ttp180 -128.01 117.26 21.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.802 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.523 ' CE1' ' HG ' ' A' ' 49' ' ' LEU . 20.0 t80 -125.6 126.24 44.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.523 ' HG ' ' CE1' ' A' ' 48' ' ' TYR . 28.3 mt 61.58 32.82 18.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.946 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.42 ' C ' ' HE3' ' A' ' 51' ' ' LYS . . . 79.16 -4.63 61.83 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.457 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.42 ' HE3' ' C ' ' A' ' 50' ' ' GLY . 0.0 OUTLIER -98.41 122.23 41.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.824 0.345 . . . . 0.0 110.891 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.464 ' HB3' ' CE2' ' A' ' 45' ' ' TYR . 34.1 mt-10 -98.94 129.3 45.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -153.93 -176.48 26.35 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.412 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.564 ' CZ3' ' HB3' ' A' ' 43' ' ' TRP . 51.5 m95 -96.88 131.88 43.2 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.789 0.328 . . . . 0.0 110.891 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -141.89 145.25 35.7 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.553 0.692 . . . . 0.0 111.062 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 122.41 9.1 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.72 2.28 . . . . 0.0 112.306 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -52.51 -19.9 2.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.126 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.8 t -64.58 -30.98 72.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -92.22 24.5 3.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.918 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.1 mt -144.71 145.01 31.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.965 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.473 ' C ' ' CD2' ' A' ' 11' ' ' TYR . 42.9 pttt -138.65 133.67 32.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.831 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.512 ' N ' ' CE2' ' A' ' 11' ' ' TYR . 9.0 tttp -52.44 120.41 5.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.871 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.039 179.871 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.93 0.395 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.404 ' HE2' ' CG2' ' A' ' 32' ' ' THR . 15.8 mtpt -115.81 128.0 55.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -110.52 177.58 4.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 85.8 t -126.22 128.95 72.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.112 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.557 HG21 ' CD1' ' A' ' 27' ' ' PHE . 73.3 p -81.96 112.59 19.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.164 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.5 m -85.44 -11.94 11.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.136 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -144.2 144.84 27.35 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.605 0.716 . . . . 0.0 110.903 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 156.68 62.77 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.685 2.256 . . . . 0.0 112.322 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.4 ' CE1' ' HD3' ' A' ' 56' ' ' PRO . 53.4 t80 -133.75 143.63 48.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.961 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.418 ' O ' ' NE2' ' A' ' 20' ' ' GLN . 85.7 m -107.45 109.45 21.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.1 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.423 ' HB3' ' N ' ' A' ' 26' ' ' GLY . 78.1 p -69.5 101.47 1.6 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.418 ' NE2' ' O ' ' A' ' 18' ' ' THR . 27.2 mp0 -68.87 -36.29 77.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.4 t -140.54 163.16 33.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.877 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -49.68 -32.79 14.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -56.86 -37.53 71.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.847 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -100.09 154.98 17.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 13.5 tt -118.17 139.57 44.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.142 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.423 ' N ' ' HB3' ' A' ' 19' ' ' SER . . . -102.67 124.65 8.24 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.453 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.557 ' CD1' HG21 ' A' ' 13' ' ' THR . 3.0 p90 -130.61 156.17 45.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.776 0.322 . . . . 0.0 110.871 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -85.34 168.46 14.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.88 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 54.7 tttt -88.74 114.36 25.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.892 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 121.0 22.07 3.02 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.499 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.2 m -121.27 165.4 16.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.994 0.426 . . . . 0.0 111.059 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.404 ' CG2' ' HE2' ' A' ' 10' ' ' LYS . 49.5 m -104.59 134.61 47.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.164 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 28.9 m -121.22 173.35 7.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.109 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -117.32 108.82 16.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 19.3 t -78.13 106.51 8.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.167 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 24.9 mt -80.14 -57.96 4.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.147 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 36.2 mmt-85 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.835 179.952 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.472 ' HB3' ' CZ3' ' A' ' 54' ' ' TRP . 13.1 m95 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.763 0.316 . . . . 0.0 110.984 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 12.0 m0 -111.34 104.75 13.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.902 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.532 ' CE2' ' HB3' ' A' ' 52' ' ' GLU . 3.5 t80 -63.85 116.27 5.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.952 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 11.7 pt -123.53 167.22 17.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.098 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 16.3 ttt180 -126.59 125.22 41.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.489 ' CZ ' HD11 ' A' ' 49' ' ' LEU . 38.4 t80 -136.36 129.41 31.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.938 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.489 HD11 ' CZ ' ' A' ' 48' ' ' TYR . 12.3 mt 61.97 38.63 14.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.927 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 65.59 36.36 92.35 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.509 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.6 mtmp? -143.81 126.18 15.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.862 0.363 . . . . 0.0 110.907 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.532 ' HB3' ' CE2' ' A' ' 45' ' ' TYR . 38.7 mt-10 -96.59 122.49 39.56 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -146.81 168.04 28.14 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.515 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.472 ' CZ3' ' HB3' ' A' ' 43' ' ' TRP . 63.6 m95 -80.82 129.88 34.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.709 0.29 . . . . 0.0 110.927 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -138.59 144.08 40.77 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.598 0.713 . . . . 0.0 111.113 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.4 ' HD3' ' CE1' ' A' ' 17' ' ' TYR . 53.1 Cg_endo -69.79 122.69 9.35 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.68 2.253 . . . . 0.0 112.292 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -52.51 -27.33 15.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.063 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.6 m -60.74 -28.32 68.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.854 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -96.28 29.15 2.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.958 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.423 ' CD2' HG23 ' A' ' 13' ' ' THR . 9.8 mt -149.22 139.05 21.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.895 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.1 pttp -134.71 134.71 41.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.839 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.412 ' HD3' ' C ' ' A' ' 62' ' ' LYS . 5.6 tmtm? -49.85 112.42 0.66 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.082 179.837 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.943 0.401 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 30.5 mttt -89.92 111.05 21.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.931 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.551 ' CD1' HG21 ' A' ' 35' ' ' VAL . 5.0 m-85 -101.81 -178.1 3.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.938 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.7 p -139.69 144.05 29.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.032 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.553 HG21 ' CE1' ' A' ' 27' ' ' PHE . 41.1 p -91.31 132.21 36.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.136 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 18.1 m -101.43 -10.24 8.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.1 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 61.3 mm-40 -148.78 144.32 18.15 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.662 0.744 . . . . 0.0 110.914 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 142.24 47.51 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.694 2.262 . . . . 0.0 112.332 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -119.47 151.19 38.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.944 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 43.1 m -120.65 95.83 4.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.177 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.411 ' HB3' ' C ' ' A' ' 25' ' ' ILE . 65.9 p -67.83 138.93 56.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 92.8 mm-40 -99.55 -40.73 7.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 74.5 m -129.58 170.25 14.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.5 ptpp? -54.29 -42.81 70.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.878 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -43.25 -45.19 5.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.906 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -98.88 157.98 15.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.869 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.496 ' CD1' ' O ' ' A' ' 51' ' ' LYS . 13.7 tt -122.42 138.25 53.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.088 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -106.35 125.06 8.0 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.478 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.553 ' CE1' HG21 ' A' ' 13' ' ' THR . 1.7 p90 -126.29 171.72 10.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.824 0.345 . . . . 0.0 110.876 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -101.79 173.09 6.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.941 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 31.6 tttm -90.51 126.15 35.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.937 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 101.73 30.17 5.93 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.455 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 16.0 m -125.63 168.07 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.922 0.391 . . . . 0.0 111.11 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 80.4 m -99.38 143.01 30.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.155 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.0 m -136.36 157.69 37.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.16 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -116.05 115.28 25.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.551 HG21 ' CD1' ' A' ' 11' ' ' TYR . 58.6 t -78.43 103.28 5.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.109 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 41.4 mt -75.29 -64.3 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.1 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 47.2 mtt180 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 179.958 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.437 ' CE3' ' HB3' ' A' ' 54' ' ' TRP . 18.1 m95 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.738 0.304 . . . . 0.0 110.954 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 14.9 m0 -116.76 112.51 21.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.946 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.511 ' CE2' ' HB3' ' A' ' 52' ' ' GLU . 3.6 t80 -75.58 123.12 24.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.963 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 11.3 pt -132.67 168.46 24.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.07 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 48.1 ttt180 -123.56 115.96 22.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.834 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.523 ' CE2' HD13 ' A' ' 49' ' ' LEU . 22.1 t80 -130.58 128.81 41.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.523 HD13 ' CE2' ' A' ' 48' ' ' TYR . 13.1 mt 62.7 41.02 9.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.875 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 60.61 35.98 90.53 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.47 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.496 ' O ' ' CD1' ' A' ' 25' ' ' ILE . 55.9 mttt -141.69 123.75 15.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.787 0.327 . . . . 0.0 110.847 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.511 ' HB3' ' CE2' ' A' ' 45' ' ' TYR . 2.1 mp0 -95.91 125.33 40.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.459 ' O ' ' CD1' ' A' ' 45' ' ' TYR . . . -150.49 -176.47 23.51 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.453 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.437 ' HB3' ' CE3' ' A' ' 43' ' ' TRP . 61.9 m95 -100.16 115.27 29.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.736 0.303 . . . . 0.0 110.964 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -122.65 142.82 38.45 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.543 0.687 . . . . 0.0 111.112 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 120.92 7.63 Favored 'Trans proline' 0 C--O 1.231 0.128 0 C-N-CA 122.685 2.256 . . . . 0.0 112.329 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -44.17 -33.15 1.43 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.092 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.0 m -49.22 -39.31 29.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.827 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -90.33 26.22 2.0 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.941 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 13.3 mt -146.74 152.53 38.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.829 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.49 ' C ' ' CD2' ' A' ' 11' ' ' TYR . 5.7 ptmm? -157.96 135.02 10.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.538 ' N ' ' CE2' ' A' ' 11' ' ' TYR . 58.6 tttt -48.81 123.3 6.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.934 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.07 179.88 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.906 0.384 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 29.8 mttp -106.98 116.73 32.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.936 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -107.48 176.53 5.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.899 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 24.3 t -132.38 140.7 47.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.124 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.449 HG23 ' CD1' ' A' ' 27' ' ' PHE . 22.5 p -89.23 135.04 33.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.127 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.455 ' CG1' ' HD3' ' A' ' 61' ' ' LYS . 7.0 m -103.05 -16.13 7.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.113 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.407 ' HB2' ' CD2' ' A' ' 59' ' ' TYR . 41.9 mm-40 -143.68 146.54 35.51 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.599 0.714 . . . . 0.0 110.903 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.65 151.24 69.67 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.732 2.288 . . . . 0.0 112.343 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 84.6 t80 -134.55 142.27 46.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.031 0.443 . . . . 0.0 110.845 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 37.1 m -109.94 116.94 32.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.176 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.403 ' HB3' ' N ' ' A' ' 26' ' ' GLY . 96.7 p -76.87 123.71 26.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.1 mp0 -82.93 -46.16 13.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.97 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.2 m -124.48 154.26 40.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.836 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -45.29 -38.19 5.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.865 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -47.92 -40.81 23.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.857 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.9 mp0 -98.99 159.37 15.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.885 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 11.7 tt -121.06 142.53 36.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.131 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.403 ' N ' ' HB3' ' A' ' 19' ' ' SER . . . -109.15 127.82 8.71 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.606 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.449 ' CD1' HG23 ' A' ' 13' ' ' THR . 4.7 p90 -124.54 172.83 8.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.779 0.323 . . . . 0.0 110.927 -179.796 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -104.11 167.98 9.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 56.3 tttt -85.55 121.27 28.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.928 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.78 32.13 3.96 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.518 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 18.6 m -125.75 177.92 4.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.875 0.369 . . . . 0.0 111.126 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 51.5 m -111.53 142.67 43.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 30.8 m -139.78 149.1 22.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.121 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -103.14 117.69 35.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 83.0 t -79.9 110.69 15.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.158 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 45.0 mt -85.11 -63.9 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.067 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 22.4 mtp85 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 -179.983 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.529 ' HB3' ' CZ3' ' A' ' 54' ' ' TRP . 21.8 m95 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.758 0.313 . . . . 0.0 110.943 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.469 ' CD1' ' HB2' ' A' ' 57' ' ' ALA . 14.5 m0 -112.36 103.91 12.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.447 ' CE1' ' C ' ' A' ' 53' ' ' GLY . 3.1 t80 -68.39 118.11 11.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.963 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 26.0 pt -122.35 170.94 11.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.132 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 14.9 ttm180 -127.86 116.36 20.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.472 ' CZ ' ' HG ' ' A' ' 49' ' ' LEU . 21.3 t80 -135.5 143.68 45.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.925 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.472 ' HG ' ' CZ ' ' A' ' 48' ' ' TYR . 11.3 mt 54.67 35.64 24.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.97 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 64.15 20.68 65.25 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.499 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.406 ' CE ' ' HA ' ' A' ' 51' ' ' LYS . 0.5 OUTLIER -125.41 136.02 52.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.804 0.335 . . . . 0.0 110.899 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -102.79 130.52 49.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.447 ' C ' ' CE1' ' A' ' 45' ' ' TYR . . . -154.73 177.09 32.23 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.474 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.529 ' CZ3' ' HB3' ' A' ' 43' ' ' TRP . 22.7 m95 -90.14 118.98 30.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.742 0.306 . . . . 0.0 110.99 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -119.48 144.13 36.03 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.606 0.717 . . . . 0.0 111.095 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.65 147.07 62.74 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.622 2.215 . . . . 0.0 112.431 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.469 ' HB2' ' CD1' ' A' ' 44' ' ' TRP . . . -85.37 22.94 1.4 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.15 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 39.8 t -112.45 -27.58 8.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.407 ' CD2' ' HB2' ' A' ' 15' ' ' GLN . 16.1 m-85 -98.51 26.99 5.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.925 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 18.1 mt -137.11 143.18 42.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.455 ' HD3' ' CG1' ' A' ' 14' ' ' VAL . 15.1 pttp -136.72 135.29 38.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.801 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' A' ' 63' ' ' ALA . 2.4 tmtt? -63.59 106.77 1.01 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 62' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.067 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.949 0.404 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 39.8 mttt -88.36 111.69 22.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.944 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.568 ' CE1' ' HD2' ' A' ' 62' ' ' LYS . 3.6 m-85 -104.07 164.67 11.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.961 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 88.7 t -120.71 145.79 26.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.109 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.418 HG21 ' CD1' ' A' ' 27' ' ' PHE . 24.8 p -95.75 113.91 25.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.157 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.0 m -86.1 -8.1 11.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.121 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.477 ' HB2' ' CD2' ' A' ' 59' ' ' TYR . 37.3 mt-30 -150.48 145.23 18.23 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.678 0.752 . . . . 0.0 110.912 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 152.39 69.56 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.674 2.249 . . . . 0.0 112.361 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -133.8 131.72 39.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 22.5 m -99.28 111.17 23.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.127 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.464 ' HB3' ' N ' ' A' ' 26' ' ' GLY . 78.5 p -74.51 133.25 42.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.936 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 95.2 mm-40 -90.7 -30.18 17.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 22' ' ' LYS . 18.8 m -154.57 163.78 39.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.824 -179.802 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.449 ' O ' ' C ' ' A' ' 23' ' ' ASP . 0.7 OUTLIER -36.04 -59.73 0.59 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.899 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' A' ' 22' ' ' LYS . 13.6 p-10 -34.43 -43.21 0.16 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.888 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 -98.47 151.58 20.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.931 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.416 ' C ' ' HB3' ' A' ' 19' ' ' SER . 13.7 tt -122.61 135.03 64.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.073 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.464 ' N ' ' HB3' ' A' ' 19' ' ' SER . . . -102.43 133.68 11.49 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.478 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.418 ' CD1' HG21 ' A' ' 13' ' ' THR . 3.6 p90 -138.19 168.28 20.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.83 0.348 . . . . 0.0 110.867 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -96.11 173.15 7.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 45.0 tttt -92.31 116.69 29.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 116.76 24.2 3.75 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.534 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 5.8 m -116.33 -178.38 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.901 0.381 . . . . 0.0 111.147 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 92.5 m -115.12 136.57 52.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.158 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.1 m -126.43 166.18 23.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.155 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -122.73 113.14 18.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.959 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.412 HG11 ' CE3' ' A' ' 44' ' ' TRP . 96.4 t -76.51 112.67 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.186 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 78.8 mt -88.89 -60.04 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.154 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 58.3 mtm180 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.851 179.957 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 10.3 m95 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.741 0.305 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.412 ' CE3' HG11 ' A' ' 35' ' ' VAL . 11.8 m0 -115.73 106.17 13.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.509 ' CE2' ' HB3' ' A' ' 52' ' ' GLU . 3.7 t80 -62.53 116.96 5.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 10.3 pt -125.52 167.27 20.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.066 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 9.7 ttp180 -126.11 121.79 33.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.862 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.501 ' CE2' HD13 ' A' ' 49' ' ' LEU . 15.6 t80 -134.02 130.71 37.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.501 HD13 ' CE2' ' A' ' 48' ' ' TYR . 23.8 mt 61.13 37.77 17.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.95 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 65.19 35.16 91.32 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.491 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 15.4 ttmt -140.94 125.98 18.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.777 0.322 . . . . 0.0 110.907 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.509 ' HB3' ' CE2' ' A' ' 45' ' ' TYR . 41.7 mt-10 -95.89 125.14 40.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.918 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -147.49 -174.49 19.49 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.446 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 32.6 m95 -101.39 120.7 40.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.778 0.323 . . . . 0.0 110.926 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -127.45 144.13 49.81 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.544 0.687 . . . . 0.0 111.132 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 128.87 16.6 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.699 2.266 . . . . 0.0 112.309 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.75 -16.23 25.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.061 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.1 m -71.21 -25.25 62.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.813 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.477 ' CD2' ' HB2' ' A' ' 15' ' ' GLN . 4.3 m-85 -101.5 22.25 12.95 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 14.7 mt -138.35 137.2 37.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.91 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.75 131.76 39.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.568 ' HD2' ' CE1' ' A' ' 11' ' ' TYR . 15.8 tptm -57.72 120.5 8.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.076 179.866 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 79.8 mt-10 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.89 0.376 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 33.2 mttm -100.12 118.99 37.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.969 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.489 ' CE1' ' CD ' ' A' ' 62' ' ' LYS . 3.9 m-85 -104.7 177.47 4.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.953 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.404 ' HB ' ' CG ' ' A' ' 61' ' ' LYS . 44.5 t -132.26 144.38 37.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.136 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.548 HG21 ' CD1' ' A' ' 27' ' ' PHE . 42.1 p -95.77 119.61 34.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.109 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.442 ' O ' ' NZ ' ' A' ' 29' ' ' LYS . 16.5 m -93.8 -9.24 9.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.5 ' HB2' ' CD2' ' A' ' 59' ' ' TYR . 45.7 mt-30 -146.86 142.99 17.74 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.608 0.718 . . . . 0.0 110.906 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 150.68 68.66 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.719 2.279 . . . . 0.0 112.343 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 45.8 t80 -132.17 142.52 49.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.5 m -113.06 110.21 20.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.123 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.8 p -61.79 110.69 1.6 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -112.75 26.41 10.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.878 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.461 ' HB2' ' CG ' ' A' ' 24' ' ' GLU . 3.3 m -152.04 157.03 41.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.927 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 56.4 pttt -61.29 -28.72 69.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -109.46 34.55 3.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.481 ' OE2' ' CZ3' ' A' ' 43' ' ' TRP . 31.8 mm-40 -123.82 141.72 51.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.879 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.424 ' CD1' ' HB3' ' A' ' 51' ' ' LYS . 14.6 tt -115.82 137.48 49.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.153 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -109.02 120.46 5.86 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.48 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.548 ' CD1' HG21 ' A' ' 13' ' ' THR . 4.0 p90 -122.04 159.66 26.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.891 0.377 . . . . 0.0 110.834 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -92.19 174.44 7.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.848 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.442 ' NZ ' ' O ' ' A' ' 14' ' ' VAL . 18.9 tttp -92.78 125.18 37.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.56 28.78 5.29 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.516 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 15.3 m -123.46 -175.82 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.868 0.366 . . . . 0.0 111.116 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.415 HG23 ' N ' ' A' ' 33' ' ' VAL . 52.3 m -119.8 140.19 51.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.126 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.415 ' N ' HG23 ' A' ' 32' ' ' THR . 27.6 m -131.62 -178.71 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -134.58 115.84 14.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.41 ' HA ' ' CG2' ' A' ' 46' ' ' ILE . 40.9 t -78.71 110.05 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.154 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 17.6 mt -84.58 -64.28 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.108 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 26.1 mmt180 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.877 179.961 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.517 ' CZ3' ' HB3' ' A' ' 54' ' ' TRP . 34.3 m95 . . . . . 0 N--CA 1.458 -0.073 0 CA-C-O 120.737 0.304 . . . . 0.0 110.943 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 33.0 m0 -112.93 103.04 11.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.468 ' CE2' ' HB3' ' A' ' 52' ' ' GLU . 7.0 t80 -57.88 122.61 13.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.936 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.41 ' CG2' ' HA ' ' A' ' 35' ' ' VAL . 8.1 pt -136.0 168.49 22.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.142 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 28.3 ttp180 -125.79 121.15 32.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.433 ' CE1' ' HG ' ' A' ' 49' ' ' LEU . 13.2 t80 -131.7 126.68 35.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.958 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.433 ' HG ' ' CE1' ' A' ' 48' ' ' TYR . 13.1 mt 62.73 40.58 9.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.899 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 63.59 37.25 94.47 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.433 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.424 ' HB3' ' CD1' ' A' ' 25' ' ' ILE . 14.2 ttpt -143.8 122.19 12.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.794 0.331 . . . . 0.0 110.904 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.468 ' HB3' ' CE2' ' A' ' 45' ' ' TYR . 28.4 mt-10 -96.61 122.04 39.09 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.875 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -149.52 175.46 28.69 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.502 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.517 ' HB3' ' CZ3' ' A' ' 43' ' ' TRP . 30.8 m95 -86.35 133.9 33.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.78 0.324 . . . . 0.0 110.987 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -146.6 143.95 19.74 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.555 0.693 . . . . 0.0 111.128 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 124.9 11.53 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.677 2.251 . . . . 0.0 112.338 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.53 -27.28 62.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.182 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 41.5 t -55.71 -26.1 43.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.834 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.5 ' CD2' ' HB2' ' A' ' 15' ' ' GLN . 3.2 m-85 -99.51 23.36 9.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 22.8 mt -135.26 143.68 46.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.873 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.404 ' CG ' ' HB ' ' A' ' 12' ' ' VAL . 4.8 ptmm? -137.11 130.69 31.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.489 ' CD ' ' CE1' ' A' ' 11' ' ' TYR . 18.0 tptp -62.7 104.84 0.57 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.074 179.875 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.896 0.379 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.537 ' CG ' ' CD ' ' A' ' 34' ' ' GLU . 17.2 mtmm -117.08 122.43 44.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.888 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -105.63 -178.89 3.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.96 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.436 HG11 ' N ' ' A' ' 13' ' ' THR . 40.4 t -126.82 143.28 40.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.149 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.447 HG23 ' CE1' ' A' ' 27' ' ' PHE . 32.3 p -92.0 132.54 36.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.13 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 28.9 m -107.27 -11.41 10.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.085 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -146.7 144.0 19.66 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.653 0.74 . . . . 0.0 110.884 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.69 140.4 42.84 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.688 2.259 . . . . 0.0 112.356 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -122.21 143.82 49.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 59.0 m -119.1 102.38 8.69 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.164 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 82.1 p -72.11 127.58 33.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 81.6 mm-40 -81.79 -36.88 27.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 16.8 m -125.04 168.32 13.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.942 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -55.88 -47.4 77.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -39.78 -40.69 0.99 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.829 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.9 mp0 -98.16 154.03 18.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 12.7 tt -121.52 136.24 59.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.113 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -103.72 129.5 9.89 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.478 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.447 ' CE1' HG23 ' A' ' 13' ' ' THR . 3.8 p90 -129.01 166.95 18.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.777 0.322 . . . . 0.0 110.95 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -95.23 162.76 13.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 24.0 tttm -80.89 116.09 20.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.945 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 114.03 32.27 2.07 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.499 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 15.5 m -128.4 177.41 6.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.883 0.373 . . . . 0.0 111.116 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.43 ' CG2' ' HD2' ' A' ' 10' ' ' LYS . 52.4 m -110.52 136.75 49.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.165 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 19.3 m -126.89 145.28 34.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.135 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.537 ' CD ' ' CG ' ' A' ' 10' ' ' LYS . 5.1 mm-40 -105.8 109.93 22.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.903 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 63.8 t -74.77 122.62 28.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.138 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.457 ' CD1' ' HG2' ' A' ' 52' ' ' GLU . 80.4 mt -93.67 -52.49 9.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.121 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.852 179.969 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.558 ' CE3' ' HB3' ' A' ' 54' ' ' TRP . 24.9 m95 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.707 0.289 . . . . 0.0 110.934 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 8.8 m0 -122.98 117.25 25.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -75.32 114.56 13.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.936 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 6.6 pt -123.1 169.31 14.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.088 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 50.1 ttt180 -125.13 129.41 50.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.942 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.526 ' CE2' HD13 ' A' ' 49' ' ' LEU . 19.7 t80 -142.68 133.01 24.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.949 -179.813 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.526 HD13 ' CE2' ' A' ' 48' ' ' TYR . 35.8 mt 61.21 33.51 19.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 71.48 28.21 69.97 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.452 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 19.1 mtmt -136.79 126.45 25.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.792 0.33 . . . . 0.0 110.881 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.457 ' HG2' ' CD1' ' A' ' 36' ' ' ILE . 4.4 mp0 -95.92 120.43 36.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.872 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -144.09 179.47 21.39 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.455 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.558 ' HB3' ' CE3' ' A' ' 43' ' ' TRP . 45.3 m95 -92.49 125.06 36.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.748 0.309 . . . . 0.0 110.909 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -128.54 144.23 51.33 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.575 0.702 . . . . 0.0 111.112 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 120.14 6.97 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.717 2.278 . . . . 0.0 112.298 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.66 -20.49 8.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.116 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.0 m -68.94 -24.02 64.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.882 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -97.77 17.85 17.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 12.9 mt -134.17 141.83 47.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.883 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.2 ptmt -131.13 133.4 45.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -57.91 115.81 3.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.855 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.047 179.826 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.0 m -56.53 -59.59 4.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.869 0.366 . . . . 0.0 110.826 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.2 m 43.69 43.09 4.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.79 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.66 -71.33 0.28 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.488 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.5 p 40.93 40.99 1.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.927 0.394 . . . . 0.0 110.913 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.2 m -126.49 142.76 51.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.803 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.401 ' HA3' ' CD ' ' A' ' 34' ' ' GLU . . . -170.61 -166.09 28.97 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.835 -0.697 . . . . 0.0 112.617 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -99.33 -59.71 1.67 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.838 0.351 . . . . 0.0 110.924 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -128.19 109.6 11.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.808 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 27.1 mttp -87.01 119.58 27.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.914 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -108.92 173.61 6.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.956 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.1 p -131.89 142.13 43.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.109 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 16.2 p -87.12 138.24 31.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.169 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.8 m -108.14 -7.6 10.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.115 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.482 ' HB2' ' CD2' ' A' ' 59' ' ' TYR . 60.1 mt-30 -152.21 146.31 18.36 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.643 0.735 . . . . 0.0 110.872 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.83 141.22 44.36 Favored 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.666 2.244 . . . . 0.0 112.37 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.405 ' CE1' ' HG3' ' A' ' 56' ' ' PRO . 62.2 t80 -129.55 130.25 45.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 88.6 m -101.85 116.34 32.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.095 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.1 p -77.64 130.84 37.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.816 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.6 mp0 -83.99 -36.43 23.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.989 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 64.3 m -135.59 164.88 26.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 23' ' ' ASP . 42.5 mtpt -49.45 -49.57 44.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.941 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 22' ' ' LYS . 10.6 m-20 -38.14 -37.09 0.25 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -104.81 149.58 25.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.944 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 9.9 tt -114.78 133.64 60.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.153 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -102.08 132.82 11.13 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.517 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -131.19 -178.03 4.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.844 0.354 . . . . 0.0 110.885 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -108.93 172.78 6.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 43.3 tttt -90.46 119.26 30.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 109.42 30.36 3.6 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.466 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.4 m -123.62 166.75 18.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.966 0.412 . . . . 0.0 111.103 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 95.6 m -101.12 134.83 43.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.16 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 15.8 m -126.81 158.02 37.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.159 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.401 ' CD ' ' HA3' ' A' ' 7' ' ' GLY . 7.1 mm-40 -112.42 109.45 19.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 61.8 t -75.22 113.72 14.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.145 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 13.4 mt -94.35 -59.67 2.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.103 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 20.1 mmm180 -115.12 156.81 24.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.515 ' HD3' ' CH2' ' A' ' 44' ' ' TRP . 38.3 mtmt -135.77 108.21 7.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -95.16 -175.41 3.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 11.6 mt -99.94 -31.14 11.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.98 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 42' ' ' GLY . 2.0 mp0 -77.12 58.73 1.6 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.955 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 41' ' ' GLU . . . 36.12 40.8 0.41 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.539 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.509 ' HB3' ' CZ3' ' A' ' 54' ' ' TRP . 12.9 m95 -125.08 111.65 15.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.785 0.326 . . . . 0.0 110.876 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.515 ' CH2' ' HD3' ' A' ' 38' ' ' LYS . 11.7 m0 -118.43 106.25 12.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.898 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.533 ' CE2' ' HB3' ' A' ' 52' ' ' GLU . 3.4 t80 -64.54 115.41 5.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.944 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 7.1 pt -121.92 173.39 7.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.135 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.6 ttm105 -127.23 121.05 30.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.912 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.457 ' CE2' HD12 ' A' ' 49' ' ' LEU . 38.1 t80 -144.1 144.97 31.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.457 HD12 ' CE2' ' A' ' 48' ' ' TYR . 13.8 mt 54.51 34.75 21.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.924 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 62.51 36.31 92.99 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.451 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 25.6 mtpt -147.25 136.34 22.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.709 0.29 . . . . 0.0 110.867 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.533 ' HB3' ' CE2' ' A' ' 45' ' ' TYR . 39.1 mt-10 -101.85 126.2 48.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.864 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -147.59 179.91 24.12 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.51 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.509 ' CZ3' ' HB3' ' A' ' 43' ' ' TRP . 64.3 m95 -95.29 126.37 40.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.667 0.27 . . . . 0.0 110.942 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -133.01 145.74 58.29 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.577 0.703 . . . . 0.0 111.175 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.405 ' HG3' ' CE1' ' A' ' 17' ' ' TYR . 53.7 Cg_endo -69.76 121.78 8.47 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.701 2.268 . . . . 0.0 112.386 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -53.48 -24.12 12.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.077 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.1 m -59.55 -38.99 82.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.831 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.482 ' CD2' ' HB2' ' A' ' 15' ' ' GLN . 16.4 m-85 -89.43 29.31 1.13 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.7 mt -144.21 152.29 40.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.945 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 47.1 pttt -153.23 144.34 23.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 46.3 tttm -62.85 125.64 24.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -79.28 155.24 28.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.041 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -122.67 101.71 7.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -84.4 135.35 34.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.834 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 80.9 p -96.16 127.45 42.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.819 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -164.54 160.14 33.2 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.557 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 69' ' ' SER . 53.5 Cg_endo -69.65 -18.46 37.53 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.648 2.232 . . . . 0.0 112.351 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 68' ' ' PRO . 1.3 t -38.22 129.78 1.28 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.871 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.9 m -106.83 108.09 19.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.857 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.491 179.974 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -57.86 170.11 0.66 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.829 0.347 . . . . 0.0 110.907 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 t -167.11 165.3 15.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 64.69 82.68 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.511 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.6 p -151.55 154.37 36.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.913 0.387 . . . . 0.0 110.895 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.5 p -102.02 -51.04 3.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.884 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.71 106.41 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.498 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -107.64 -52.27 2.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.839 0.352 . . . . 0.0 110.883 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -133.37 123.79 26.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.834 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.8 mttp -97.56 118.1 33.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.977 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -110.5 170.41 8.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.963 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 14.2 p -127.43 147.64 32.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.167 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.469 HG22 ' CE1' ' A' ' 27' ' ' PHE . 77.3 p -94.39 134.51 36.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.081 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.6 m -103.78 -14.81 8.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.16 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 34.8 mm-40 -146.38 148.26 33.77 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.605 0.716 . . . . 0.0 110.859 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 151.46 69.19 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.688 2.259 . . . . 0.0 112.358 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -131.56 141.95 49.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 57.8 m -109.44 106.29 15.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.161 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 27.9 p -74.54 117.15 16.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.832 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 97.9 mm-40 -74.09 -47.32 37.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.99 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 36.8 m -125.25 165.63 17.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' A' ' 23' ' ' ASP . 91.2 mttt -47.45 -54.35 11.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.848 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 22' ' ' LYS . 7.7 p-10 -35.82 -35.04 0.06 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.867 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 22' ' ' LYS . 19.3 mt-10 -103.12 146.45 28.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.865 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 16.1 tt -111.82 137.55 44.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.104 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -102.43 131.99 10.82 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.484 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.469 ' CE1' HG22 ' A' ' 13' ' ' THR . 7.7 p90 -134.18 179.21 6.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.86 0.362 . . . . 0.0 110.851 -179.833 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -112.09 173.72 6.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 28.8 tttm -89.51 115.07 26.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 114.3 34.44 1.61 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.487 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.9 m -130.38 161.65 39.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.855 0.36 . . . . 0.0 111.2 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 95.7 m -95.07 135.12 37.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 28.7 m -126.78 155.7 37.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.172 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.0 mp0 -113.36 107.14 15.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.949 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 85.0 t -73.37 106.54 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.172 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 66.5 mt -76.3 -61.74 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.11 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 65.6 mtt180 -132.79 162.23 32.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.876 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 61.4 mttt -120.78 143.89 48.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.892 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.442 ' CB ' ' O ' ' A' ' 43' ' ' TRP . 11.6 t-20 -120.84 163.26 18.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.953 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.1 mt -80.7 -34.69 34.39 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.948 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -78.33 52.77 1.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.882 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 42.0 40.1 3.13 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.525 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.514 ' HB3' ' CZ3' ' A' ' 54' ' ' TRP . 9.8 m95 -122.94 113.52 19.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.669 0.271 . . . . 0.0 110.915 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 13.6 m0 -118.68 108.9 15.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.945 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.509 ' CE2' ' HB3' ' A' ' 52' ' ' GLU . 3.0 t80 -68.4 116.16 8.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 8.1 pt -122.76 171.96 10.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.128 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.4 ' NH1' ' HB2' ' A' ' 47' ' ' ARG . 16.7 ttm105 -123.18 126.74 47.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.839 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -147.16 134.53 20.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.969 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 18.6 mt 61.23 39.67 15.46 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.923 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 60.2 35.45 87.95 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.474 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.4 135.37 22.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.769 0.319 . . . . 0.0 110.902 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.509 ' HB3' ' CE2' ' A' ' 45' ' ' TYR . 2.2 mp0 -102.3 123.83 46.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -146.45 -179.17 22.41 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.426 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.514 ' CZ3' ' HB3' ' A' ' 43' ' ' TRP . 60.9 m95 -91.17 137.52 32.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.741 0.305 . . . . 0.0 110.923 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -147.05 144.12 19.32 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.528 0.68 . . . . 0.0 111.159 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.85 126.77 13.64 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.672 2.248 . . . . 0.0 112.328 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.04 -21.33 30.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.121 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 14.9 m -63.15 -29.58 70.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.848 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -95.54 17.41 14.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.932 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 11.7 mt -139.35 141.65 37.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.93 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 18.0 pttp -142.4 138.1 30.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.83 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 11.8 tttp -55.28 124.84 18.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.92 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -84.65 145.75 27.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.077 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.8 ttmm -135.68 135.0 39.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -109.02 132.09 54.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 14.6 m -68.13 -53.68 23.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -89.78 -158.98 35.0 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.51 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.8 100.97 0.86 Allowed 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.692 2.261 . . . . 0.0 112.339 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 90.5 p -56.64 160.88 3.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.9 t -96.5 132.13 42.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.843 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.47 -179.966 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 N-CA-C 112.544 -0.223 . . . . 0.0 112.544 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.3 t -118.82 166.21 13.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.879 0.371 . . . . 0.0 110.768 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.4 m -100.1 -52.02 3.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.885 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.76 153.65 11.38 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.466 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.4 m -48.03 97.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.827 0.346 . . . . 0.0 110.816 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.7 m -156.26 117.18 3.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.69 93.83 0.14 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.484 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -66.03 -46.14 78.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.839 0.352 . . . . 0.0 110.881 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -128.73 132.47 47.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.3 mtmp? -108.4 120.17 41.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.525 ' CD2' ' C ' ' A' ' 61' ' ' LYS . 6.2 m-85 -106.07 -177.82 3.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.857 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 61.6 t -131.96 146.83 32.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.146 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.497 HG23 ' CD1' ' A' ' 27' ' ' PHE . 43.9 p -94.7 117.36 30.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.119 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.413 ' C ' ' HG3' ' A' ' 15' ' ' GLN . 23.8 m -91.69 -6.02 10.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.17 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.413 ' HG3' ' C ' ' A' ' 14' ' ' VAL . 40.0 mt-30 -157.19 144.01 13.38 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.654 0.74 . . . . 0.0 110.903 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.68 147.48 63.47 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.692 2.261 . . . . 0.0 112.392 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -127.69 136.33 51.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.942 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 25.6 m -108.68 102.52 11.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.184 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.524 ' HG ' ' N ' ' A' ' 26' ' ' GLY . 5.9 p -75.16 125.2 28.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.855 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 10.5 mp0 -91.68 -25.5 19.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.872 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 33.4 p -119.77 161.28 21.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.837 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -63.99 -40.29 96.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.956 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -53.38 -24.36 12.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -107.05 154.67 20.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 15.5 tt -121.58 141.63 41.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.139 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.524 ' N ' ' HG ' ' A' ' 19' ' ' SER . . . -107.47 129.7 9.78 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.486 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.497 ' CD1' HG23 ' A' ' 13' ' ' THR . 2.8 p90 -127.98 167.0 17.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.836 0.351 . . . . 0.0 110.901 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -98.61 174.82 6.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 51.3 tttt -94.0 120.98 35.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 111.06 32.33 2.64 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.531 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 17.3 m -130.3 -177.07 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.908 0.385 . . . . 0.0 111.121 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.457 HG21 ' N ' ' A' ' 33' ' ' VAL . 98.8 m -118.49 137.28 53.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.184 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.457 ' N ' HG21 ' A' ' 32' ' ' THR . 27.7 m -126.15 152.3 33.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.125 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.8 mp0 -107.38 109.32 21.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.942 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.437 HG13 ' CE3' ' A' ' 44' ' ' TRP . 80.2 t -72.64 114.57 11.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.16 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 22.5 mt -88.06 -59.71 2.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.096 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -119.91 164.1 16.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.838 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 83.1 mttt -138.65 124.11 19.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -112.1 -176.36 2.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 24.8 tp -100.1 -28.42 13.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.877 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 42' ' ' GLY . 7.4 mm-40 -77.46 55.63 1.29 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.906 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 41' ' ' GLU . . . 37.22 43.22 0.94 Allowed Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.505 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.522 ' HB3' ' CZ3' ' A' ' 54' ' ' TRP . 7.7 m95 -128.5 116.42 19.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.778 0.323 . . . . 0.0 110.968 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.437 ' CE3' HG13 ' A' ' 35' ' ' VAL . 9.0 m0 -121.72 105.08 10.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.412 ' CE2' ' HB3' ' A' ' 52' ' ' GLU . 3.2 t80 -62.95 104.93 0.61 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.904 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 12.5 pt -114.74 161.82 13.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.156 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 22.5 ttp180 -120.99 125.62 47.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.554 ' CE1' ' HG ' ' A' ' 49' ' ' LEU . 17.9 t80 -139.57 131.68 28.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.949 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.554 ' HG ' ' CE1' ' A' ' 48' ' ' TYR . 21.0 mt 60.62 40.99 15.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 61.31 36.58 92.67 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.479 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.9 mmmt -142.78 130.56 21.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.785 0.326 . . . . 0.0 110.915 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.412 ' HB3' ' CE2' ' A' ' 45' ' ' TYR . 51.4 mt-10 -99.71 126.2 45.71 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -151.77 170.64 31.23 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.47 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.522 ' CZ3' ' HB3' ' A' ' 43' ' ' TRP . 65.7 m95 -88.76 126.28 35.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.824 0.345 . . . . 0.0 110.904 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -132.81 144.36 52.57 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.58 0.705 . . . . 0.0 111.124 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 124.62 11.29 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.712 2.275 . . . . 0.0 112.342 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -53.5 -21.81 7.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.118 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 16.9 t -63.51 -29.48 70.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.844 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -95.52 15.7 19.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.93 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 13.1 mt -133.86 136.66 44.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.942 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.525 ' C ' ' CD2' ' A' ' 11' ' ' TYR . 4.0 ptmm? -124.87 144.46 50.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.477 ' HG2' ' CZ ' ' A' ' 11' ' ' TYR . 3.2 tmtp? -69.31 106.8 3.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.867 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.38 145.71 53.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.15 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 65' ' ' ASP . 27.8 ttpt 62.36 37.27 13.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.852 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 64' ' ' LYS . 1.1 m-20 -38.15 153.21 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.933 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 33.5 t -133.36 117.72 17.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.891 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 60.8 82.08 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.542 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -25.37 28.41 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.723 2.282 . . . . 0.0 112.293 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 48.4 p -103.32 124.65 49.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.8 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 69.6 m -97.2 82.05 3.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.847 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.455 -179.974 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.243 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.8 p -114.78 81.08 1.5 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.873 0.368 . . . . 0.0 110.902 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.9 m -61.57 100.07 0.13 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.839 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 83.31 91.48 0.68 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.481 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 m -101.81 -58.16 1.93 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.896 0.379 . . . . 0.0 110.893 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.6 t -128.1 82.7 2.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.852 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.26 52.45 0.77 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.535 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -75.96 -40.07 54.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.833 0.349 . . . . 0.0 110.914 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -128.49 122.74 31.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 29.4 mttm -104.16 124.13 48.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.46 ' CD1' HG22 ' A' ' 35' ' ' VAL . 7.6 m-85 -110.74 165.84 11.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.86 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 15.0 p -127.87 144.59 37.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.158 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.54 HG22 ' CE1' ' A' ' 27' ' ' PHE . 67.5 p -85.99 136.65 33.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.422 ' O ' ' NE2' ' A' ' 15' ' ' GLN . 14.1 m -107.26 -15.37 9.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.125 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.422 ' NE2' ' O ' ' A' ' 14' ' ' VAL . 98.9 mm-40 -149.09 147.67 24.55 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.609 0.719 . . . . 0.0 110.919 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 141.08 44.29 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.639 2.226 . . . . 0.0 112.333 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 37.8 t80 -130.07 146.77 51.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.918 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 90.8 m -122.63 105.26 9.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.099 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 97.1 p -63.45 132.1 50.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 15.6 mp0 -77.95 -39.0 44.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.956 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.9 m -130.56 177.36 7.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.821 -179.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.0 pttp -61.56 -37.03 82.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.59 -33.62 15.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.883 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -106.99 154.35 21.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 13.2 tt -117.88 133.21 65.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.115 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -102.79 132.47 11.02 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.487 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.54 ' CE1' HG22 ' A' ' 13' ' ' THR . 1.1 p90 -133.61 -179.95 5.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.832 0.349 . . . . 0.0 110.851 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -101.39 176.81 5.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.864 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 28.4 tttt -96.44 118.14 32.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 114.88 26.73 3.47 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.498 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.0 m -123.14 162.11 23.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.948 0.404 . . . . 0.0 111.116 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 84.8 m -96.35 136.61 36.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.166 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 19.6 m -129.81 155.61 41.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.061 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -112.07 126.28 55.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.46 HG22 ' CD1' ' A' ' 11' ' ' TYR . 22.1 t -89.51 108.04 18.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.085 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 93.1 mt -77.19 -65.38 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.169 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 40.1 mtt180 -128.33 159.42 35.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.81 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.504 ' HG2' ' CG ' ' A' ' 44' ' ' TRP . 40.3 mttt -126.66 156.51 40.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.937 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 64.4 m-20 -166.27 153.57 9.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.947 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.5 mm? 42.49 26.24 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.914 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 40.2 31.4 0.1 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -143.19 -43.58 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.458 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 41.0 m95 -103.58 105.39 15.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.8 0.333 . . . . 0.0 110.873 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.505 ' CE2' ' HB1' ' A' ' 57' ' ' ALA . 7.1 m0 -116.41 104.52 11.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.91 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.556 ' CE2' ' HB3' ' A' ' 52' ' ' GLU . 12.0 t80 -51.48 110.53 0.46 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.915 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 8.0 pt -116.33 170.76 5.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.089 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 51.6 ttp180 -131.11 127.97 39.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.814 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.479 ' CZ ' ' HG ' ' A' ' 49' ' ' LEU . 19.1 t80 -141.07 135.86 31.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.882 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.479 ' HG ' ' CZ ' ' A' ' 48' ' ' TYR . 12.7 mt 60.64 32.29 20.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.987 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 72.12 21.16 79.29 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.448 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.64 125.56 36.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.761 0.315 . . . . 0.0 110.919 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.556 ' HB3' ' CE2' ' A' ' 45' ' ' TYR . 3.1 mp0 -97.75 126.71 43.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.948 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -155.03 175.97 32.86 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.483 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 61.9 m95 -85.28 124.83 32.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.773 0.32 . . . . 0.0 110.898 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -130.74 146.87 63.81 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.569 0.7 . . . . 0.0 111.103 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 123.98 10.64 Favored 'Trans proline' 0 N--CA 1.466 -0.133 0 C-N-CA 122.73 2.287 . . . . 0.0 112.337 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.505 ' HB1' ' CE2' ' A' ' 44' ' ' TRP . . . -56.95 -24.53 53.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.062 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.0 m -61.74 -36.72 81.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.905 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -89.66 26.2 1.81 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.956 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.1 mt -146.32 138.95 25.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.938 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.431 ' C ' ' CD2' ' A' ' 11' ' ' TYR . 18.5 ptmt -140.22 138.04 34.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.17 111.09 0.7 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.839 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -86.31 143.68 27.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.062 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.0 mmmt -84.74 169.87 13.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -151.34 159.91 44.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.6 t -56.92 137.32 55.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 138.43 146.52 5.01 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.483 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.446 ' O ' ' C ' ' A' ' 69' ' ' SER . 54.0 Cg_endo -69.79 -38.11 8.18 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.738 2.292 . . . . 0.0 112.344 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 68' ' ' PRO . 3.5 m -34.82 116.8 0.35 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 17.6 t -122.39 91.92 3.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.478 179.986 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.4 t -68.14 119.38 12.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.926 0.393 . . . . 0.0 110.851 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.6 t -39.04 -56.99 1.34 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.885 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.3 -53.26 0.76 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.471 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 m -66.19 160.55 23.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.951 0.405 . . . . 0.0 110.792 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.7 m -92.21 168.91 11.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.778 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.67 -168.41 0.43 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.556 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -109.78 -60.89 1.72 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.847 0.356 . . . . 0.0 110.971 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -138.52 106.34 5.65 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.895 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.464 ' CE ' HG21 ' A' ' 32' ' ' THR . 33.8 mtpt -76.69 112.79 13.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -100.79 173.61 6.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 63.0 t -123.98 136.82 59.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.155 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 43.1 p -90.17 117.24 28.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.427 ' CG1' ' HD3' ' A' ' 61' ' ' LYS . 16.8 m -87.38 -8.97 11.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.141 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -150.33 144.08 17.13 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.565 0.698 . . . . 0.0 110.917 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 151.12 68.82 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.661 2.241 . . . . 0.0 112.346 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -132.91 138.39 46.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 58.1 m -105.82 116.3 31.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.124 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.413 ' HB3' ' C ' ' A' ' 25' ' ' ILE . 22.3 p -76.58 119.36 20.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.811 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 96.1 mm-40 -83.86 -31.2 25.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.872 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 31.1 m -143.37 160.1 41.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.847 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 43.8 tttm -46.61 -41.59 14.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.877 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -48.78 -35.71 14.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.902 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -106.86 145.13 32.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.413 ' C ' ' HB3' ' A' ' 19' ' ' SER . 16.3 tt -107.28 144.56 15.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.092 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -108.06 131.09 10.42 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.426 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 1.8 p90 -134.34 170.64 15.43 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.787 0.327 . . . . 0.0 110.83 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -103.67 178.56 4.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.837 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 59.5 tttt -94.7 122.98 37.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 106.28 35.67 2.86 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.469 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 16.2 m -132.42 173.88 14.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.916 0.389 . . . . 0.0 111.082 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.464 HG21 ' CE ' ' A' ' 10' ' ' LYS . 78.6 m -109.67 133.85 52.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.159 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.412 ' N ' HG23 ' A' ' 32' ' ' THR . 30.9 m -123.79 141.91 42.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.092 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -99.36 113.5 25.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.915 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 74.8 t -79.93 114.36 20.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.156 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 18.9 mt -83.81 -60.94 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.186 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -114.96 168.76 9.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.483 ' HD3' ' CZ2' ' A' ' 44' ' ' TRP . 32.1 mttp -135.9 152.3 50.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 33.9 t30 -147.83 143.36 27.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.844 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 41' ' ' GLU . 11.4 mt -74.95 -47.21 30.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 40' ' ' LEU . 17.0 mt-10 -37.64 -46.66 0.89 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 138.22 42.85 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.443 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.414 ' HB3' ' CZ3' ' A' ' 54' ' ' TRP . 31.3 m95 -141.51 121.32 13.52 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.779 0.323 . . . . 0.0 110.974 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.483 ' CZ2' ' HD3' ' A' ' 38' ' ' LYS . 9.1 m0 -121.31 107.49 12.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.957 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -68.1 115.46 7.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.967 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 34.0 pt -123.18 168.21 15.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.14 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 30.6 ttt180 -123.92 123.92 41.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.881 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.57 ' CE1' ' HG ' ' A' ' 49' ' ' LEU . 23.9 t80 -137.66 130.08 29.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.888 -179.8 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.57 ' HG ' ' CE1' ' A' ' 48' ' ' TYR . 53.7 mt 60.24 42.15 15.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.944 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 63.27 27.88 71.36 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.495 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.2 ttmm -133.25 130.85 39.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.779 0.323 . . . . 0.0 110.902 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.409 ' N ' ' OE1' ' A' ' 52' ' ' GLU . 2.6 mp0 -106.13 120.44 41.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -146.1 -175.35 19.06 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.45 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.414 ' CZ3' ' HB3' ' A' ' 43' ' ' TRP . 38.8 m95 -97.21 133.01 42.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.72 0.295 . . . . 0.0 110.988 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -144.28 147.0 35.43 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.614 0.721 . . . . 0.0 111.046 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 126.52 13.42 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.734 2.29 . . . . 0.0 112.337 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.58 -12.59 10.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.097 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.8 m -68.58 -26.67 65.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -97.24 20.61 11.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.925 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 19.0 mt -136.31 138.85 42.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.914 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.427 ' HD3' ' CG1' ' A' ' 14' ' ' VAL . 53.4 pttt -131.45 135.82 47.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 179.785 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.58 114.24 3.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.941 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.12 -61.03 2.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.131 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 38.9 tttt -82.87 43.73 0.87 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -43.43 156.44 0.05 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.4 t -141.59 154.27 45.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -115.29 164.45 12.13 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.508 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.84 -10.94 29.71 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.707 2.271 . . . . 0.0 112.279 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.0 t -52.3 128.72 26.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.832 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.3 m -110.56 135.35 51.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.857 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.225 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.448 179.973 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.8 p -152.51 169.33 22.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.931 0.396 . . . . 0.0 110.741 -179.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.5 m -41.55 124.15 2.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.796 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.01 77.18 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.508 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.6 m -118.37 -54.93 2.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.826 0.346 . . . . 0.0 110.869 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.8 p -119.98 40.37 3.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.36 165.3 29.9 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.55 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -112.96 -62.03 1.65 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.817 0.341 . . . . 0.0 110.882 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -120.4 125.23 47.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.842 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 23.8 mttp -85.77 113.48 21.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.932 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -107.91 163.77 12.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.985 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 85.2 t -119.59 142.56 34.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.115 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.464 HG22 ' CD1' ' A' ' 27' ' ' PHE . 30.6 p -90.79 145.42 24.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.429 ' O ' ' NZ ' ' A' ' 29' ' ' LYS . 4.4 m -116.48 -4.88 11.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.114 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 -155.33 144.01 14.75 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.657 0.742 . . . . 0.0 110.955 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 134.53 28.22 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.709 2.273 . . . . 0.0 112.279 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -117.61 129.62 55.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 91.3 m -100.04 103.3 14.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.186 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.419 ' HB3' ' N ' ' A' ' 26' ' ' GLY . 51.7 p -60.79 140.48 57.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.817 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -101.74 -31.84 10.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.91 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.1 t -139.57 159.6 41.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 34.6 mtmt -48.64 -40.29 27.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.902 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -49.39 -42.76 43.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.877 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.7 mp0 -99.52 147.95 24.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 12.3 tt -113.15 140.0 35.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.113 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.419 ' N ' ' HB3' ' A' ' 19' ' ' SER . . . -105.41 129.24 9.72 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.503 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.464 ' CD1' HG22 ' A' ' 13' ' ' THR . 2.6 p90 -126.75 169.43 13.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.833 0.349 . . . . 0.0 110.852 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -96.0 179.0 5.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.894 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.429 ' NZ ' ' O ' ' A' ' 14' ' ' VAL . 16.3 tttp -98.23 121.15 39.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.927 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.66 26.6 6.08 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.495 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 15.3 m -121.45 175.81 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.847 0.355 . . . . 0.0 111.167 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 95.3 m -107.61 139.41 42.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.106 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 16.9 m -131.79 152.03 36.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.166 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -107.66 116.56 32.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.929 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 92.7 t -86.9 117.41 31.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.136 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.462 ' CD1' ' HG2' ' A' ' 52' ' ' GLU . 32.6 mt -92.73 -54.45 7.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.141 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 36.1 mtp180 -117.69 159.97 22.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.501 ' HG2' ' CD2' ' A' ' 44' ' ' TRP . 43.9 mtmt -140.97 128.89 21.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.936 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -114.54 179.57 3.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.912 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.421 ' O ' ' C ' ' A' ' 41' ' ' GLU . 8.4 mt -99.44 -53.97 3.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.961 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 40' ' ' LEU . 40.0 mt-10 -34.94 -57.27 0.55 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.842 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 153.91 37.29 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.441 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.523 ' CZ3' ' HB3' ' A' ' 54' ' ' TRP . 21.9 m95 -132.2 123.31 26.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.789 0.328 . . . . 0.0 110.906 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.501 ' CD2' ' HG2' ' A' ' 38' ' ' LYS . 8.6 m0 -122.48 109.42 14.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.926 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -66.95 115.25 6.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.003 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 22.6 pt -126.93 169.67 18.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.101 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 20.6 ttt180 -128.06 125.9 40.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.819 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.518 ' CE1' ' HG ' ' A' ' 49' ' ' LEU . 17.1 t80 -136.14 132.13 35.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.923 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.518 ' HG ' ' CE1' ' A' ' 48' ' ' TYR . 19.8 mt 60.19 35.52 21.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.843 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 69.19 34.88 76.29 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.519 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.4 ttpt -141.9 124.72 16.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.687 0.28 . . . . 0.0 110.878 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.462 ' HG2' ' CD1' ' A' ' 36' ' ' ILE . 66.1 mt-10 -95.96 121.72 38.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.928 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -147.31 -178.14 22.36 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.48 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.523 ' HB3' ' CZ3' ' A' ' 43' ' ' TRP . 59.2 m95 -92.55 134.05 35.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.793 0.33 . . . . 0.0 110.904 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -143.28 144.16 27.24 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.557 0.694 . . . . 0.0 111.079 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 126.6 13.48 Favored 'Trans proline' 0 N--CA 1.466 -0.146 0 C-N-CA 122.704 2.269 . . . . 0.0 112.334 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.53 -9.96 6.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.108 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 13.7 t -76.43 -22.43 54.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -98.85 15.22 26.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.949 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.5 mt -133.54 146.34 50.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.931 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.2 pttp -134.12 134.59 42.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 9.6 tmtt? -60.02 121.15 11.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.927 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.36 123.65 23.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.139 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 46.4 mtpt -84.12 143.51 29.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.885 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -159.32 169.82 23.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 52.3 m -119.08 40.38 3.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -106.6 -158.22 21.62 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.5 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 110.5 2.57 Favored 'Trans proline' 0 N--CA 1.465 -0.182 0 C-N-CA 122.68 2.253 . . . . 0.0 112.351 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.6 m -102.9 -57.23 2.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.884 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 41.0 t -98.09 107.58 20.09 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.892 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.547 179.999 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.5 m -95.97 151.02 19.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.824 0.345 . . . . 0.0 110.905 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.5 p -83.26 -43.73 15.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 94.15 111.2 2.26 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.439 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.9 t -127.33 119.13 25.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.949 0.404 . . . . 0.0 110.834 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 t -105.03 40.52 1.5 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.88 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.74 127.43 9.25 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.526 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -98.07 -54.51 3.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.789 0.328 . . . . 0.0 110.88 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 69.8 mt-10 -123.33 115.52 21.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.901 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 48.1 mttt -79.25 115.83 19.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.538 ' CE1' ' HD2' ' A' ' 62' ' ' LYS . 3.5 m-85 -104.77 -178.44 3.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.863 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 24.1 t -136.18 139.08 46.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.129 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.545 HG23 ' CE1' ' A' ' 27' ' ' PHE . 35.2 p -89.51 121.37 31.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.095 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.6 m -92.34 -10.89 9.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.109 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -144.47 146.35 32.3 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.562 0.696 . . . . 0.0 110.899 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 153.85 68.55 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.631 2.221 . . . . 0.0 112.361 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -133.8 124.63 26.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.944 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 41.0 m -93.22 110.85 22.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.151 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 30.1 p -85.02 154.77 21.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -129.77 -33.29 1.83 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 42.5 t -130.76 149.76 52.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.054 0.454 . . . . 0.0 110.814 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 11.0 tppt? -41.18 -45.15 2.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.955 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.11 -44.05 10.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.829 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 75.5 mt-10 -99.26 150.55 21.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 15.4 tt -120.86 140.94 43.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.175 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -108.42 129.39 9.55 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.498 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.545 ' CE1' HG23 ' A' ' 13' ' ' THR . 2.7 p90 -133.91 157.94 44.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.782 0.325 . . . . 0.0 110.938 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -87.15 168.9 12.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.2 tttm -87.91 118.48 27.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 111.39 29.27 3.48 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.538 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 16.3 m -121.93 173.54 7.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.887 0.375 . . . . 0.0 111.134 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 89.5 m -106.5 138.7 42.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.185 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 24.9 m -135.76 150.27 28.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.137 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -104.15 115.65 30.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 98.2 t -79.2 100.86 4.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 52.2 mt -72.5 -52.13 25.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.131 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 55.9 mtm-85 -134.24 153.17 52.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.942 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.507 ' HB2' ' CE2' ' A' ' 44' ' ' TRP . 9.6 ptpp? -135.09 123.42 23.16 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.88 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -100.14 179.38 4.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.934 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.3 tt -97.91 -47.02 5.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.96 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -42.95 -57.63 2.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 156.11 43.81 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.481 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.489 ' HB3' ' CZ3' ' A' ' 54' ' ' TRP . 18.1 m95 -139.74 123.2 17.18 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.771 0.319 . . . . 0.0 110.898 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.507 ' CE2' ' HB2' ' A' ' 38' ' ' LYS . 7.7 m0 -122.31 102.85 8.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.878 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -61.87 118.57 7.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.961 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 19.9 pt -127.78 168.88 20.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.148 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 22.8 ttp180 -128.79 119.93 25.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.528 ' CE1' ' HG ' ' A' ' 49' ' ' LEU . 14.7 t80 -132.94 132.48 42.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.528 ' HG ' ' CE1' ' A' ' 48' ' ' TYR . 11.8 mt 59.08 41.87 19.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.928 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 61.21 38.78 96.2 Favored Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.513 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 26.5 ttmt -147.02 129.0 15.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.773 0.32 . . . . 0.0 110.929 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.7 mp0 -98.74 128.41 44.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -150.91 174.95 30.09 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.463 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.489 ' CZ3' ' HB3' ' A' ' 43' ' ' TRP . 44.4 m95 -90.31 126.75 35.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.784 0.326 . . . . 0.0 110.963 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -138.37 144.65 43.67 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.541 0.686 . . . . 0.0 111.125 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 125.91 12.69 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.661 2.241 . . . . 0.0 112.386 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.4 -27.06 9.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.075 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 73.5 m -60.1 -30.99 69.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.816 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -93.98 25.13 3.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.93 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.0 mt -147.73 141.08 25.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.934 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 31.1 pttt -142.1 130.62 22.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.914 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.538 ' HD2' ' CE1' ' A' ' 11' ' ' TYR . 12.7 tptm -51.4 113.32 0.93 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -45.8 -69.81 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.125 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 11.1 ptmt -79.03 169.25 18.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.859 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -116.23 130.68 56.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 34.1 t -168.38 139.69 2.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 51.25 65.79 2.9 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.477 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -47.36 0.93 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.673 2.249 . . . . 0.0 112.357 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 49.7 m -62.62 120.36 11.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.1 t -109.0 97.27 6.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.904 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.543 -179.963 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.262 0 N-CA-C 112.433 -0.267 . . . . 0.0 112.433 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.2 m -144.44 126.76 15.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.871 0.367 . . . . 0.0 110.865 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.2 t -132.02 41.81 3.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.839 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.02 -143.05 8.44 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.479 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.8 m -123.17 134.83 54.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.906 0.384 . . . . 0.0 110.826 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.8 p -112.41 118.5 35.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.815 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.99 86.52 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.437 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -38.65 -44.93 1.04 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.821 0.343 . . . . 0.0 110.867 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -153.7 135.25 14.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.891 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 54.7 mttp -107.55 120.31 41.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.947 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.471 ' CD2' ' N ' ' A' ' 62' ' ' LYS . 5.9 m-85 -105.65 -177.79 3.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.946 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 54.4 t -132.15 142.69 42.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.111 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.537 HG21 ' CE1' ' A' ' 27' ' ' PHE . 57.1 p -94.87 120.28 34.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.126 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.419 ' CG1' ' HD3' ' A' ' 61' ' ' LYS . 13.6 m -88.38 -15.11 9.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.138 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 20.1 mm100 -148.48 146.92 23.76 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.622 0.725 . . . . 0.0 110.893 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 152.7 69.32 Favored 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 122.662 2.241 . . . . 0.0 112.428 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -128.85 149.45 50.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.009 0.433 . . . . 0.0 110.909 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.424 HG21 ' NE2' ' A' ' 20' ' ' GLN . 94.6 m -117.97 104.69 11.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.129 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.409 ' HB3' ' C ' ' A' ' 25' ' ' ILE . 87.8 p -76.72 117.23 18.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.816 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.424 ' NE2' HG21 ' A' ' 18' ' ' THR . 15.7 mp0 -74.66 -41.8 59.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.948 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 47.3 m -121.22 165.43 15.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.0 pttt -56.83 -28.79 62.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.861 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.06 -39.1 68.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.866 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -99.63 164.1 12.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.893 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.409 ' C ' ' HB3' ' A' ' 19' ' ' SER . 15.1 tt -124.83 140.49 47.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.126 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -107.66 119.96 5.95 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.448 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.537 ' CE1' HG21 ' A' ' 13' ' ' THR . 3.5 p90 -123.93 168.2 13.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.794 0.331 . . . . 0.0 110.918 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -100.15 173.4 6.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 29.7 tttm -89.18 124.38 34.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.66 37.17 2.64 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.482 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.5 m -133.59 174.87 12.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.877 0.37 . . . . 0.0 111.167 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 60.9 m -109.41 133.48 53.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.114 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 35.9 m -127.72 141.84 45.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 -98.01 112.22 24.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.891 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 64.2 t -78.37 108.49 11.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.119 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 59.4 mt -75.97 -62.85 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.092 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 36.6 mmt180 -117.77 172.44 7.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.472 ' HE3' ' CZ3' ' A' ' 44' ' ' TRP . 54.4 mttp -142.52 138.15 30.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.939 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -122.4 166.3 14.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.912 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.7 tt -95.74 -45.84 6.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.904 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -43.22 -47.09 6.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.839 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 144.87 44.79 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.441 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 16.8 m95 -142.3 126.96 18.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.843 0.354 . . . . 0.0 110.893 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.472 ' CZ3' ' HE3' ' A' ' 38' ' ' LYS . 7.6 m0 -125.53 110.01 13.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.941 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -69.5 121.95 18.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.864 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 23.3 pt -132.0 161.59 41.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.146 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 45.4 ttt180 -118.3 122.53 43.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.878 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.494 ' CE2' HD12 ' A' ' 49' ' ' LEU . 27.6 t80 -136.19 132.13 35.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.926 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.494 HD12 ' CE2' ' A' ' 48' ' ' TYR . 76.3 mt 59.96 39.15 20.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.928 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 62.42 33.17 85.5 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.463 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 20.2 ttmt -139.38 131.65 28.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.747 0.308 . . . . 0.0 110.9 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -96.73 131.12 43.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.898 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -157.78 169.35 34.56 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.484 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 42.4 m95 -86.14 122.27 29.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.796 0.331 . . . . 0.0 110.959 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -124.91 144.14 46.03 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.575 0.702 . . . . 0.0 111.07 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 125.87 12.61 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.689 2.259 . . . . 0.0 112.315 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.47 -18.61 11.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.083 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 72.5 m -69.9 -35.56 74.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.791 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -90.09 21.54 3.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.906 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 11.1 mt -139.39 136.01 34.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.96 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.464 ' C ' ' CD2' ' A' ' 11' ' ' TYR . 61.2 pttt -133.81 133.89 42.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.908 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.471 ' N ' ' CD2' ' A' ' 11' ' ' TYR . 21.1 tttt -51.12 124.88 12.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -77.74 130.17 36.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.077 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.0 ptmt -105.6 88.98 2.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -126.78 111.96 14.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.3 m 59.88 27.55 16.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.882 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -78.91 -86.35 0.52 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.462 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 1.63 4.31 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.7 2.267 . . . . 0.0 112.296 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.4 m -67.75 72.58 0.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 69.7 m -83.96 125.5 32.1 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.853 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.506 -179.949 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.509 -0.237 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -155.63 152.89 29.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.923 0.392 . . . . 0.0 110.851 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.6 m -84.32 148.22 26.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.879 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.97 -116.97 0.77 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.486 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.1 p -87.2 46.26 1.36 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.926 0.393 . . . . 0.0 110.902 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.4 p -115.0 -44.02 3.06 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.872 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.79 135.07 7.31 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.54 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -100.87 -61.8 1.32 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.798 0.332 . . . . 0.0 110.942 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.1 mp0 -102.97 110.8 22.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.895 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 34.8 mttt -82.38 112.41 19.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.82 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.553 ' CE1' ' HD2' ' A' ' 62' ' ' LYS . 4.1 m-85 -107.36 174.41 5.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.971 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.456 HG23 ' N ' ' A' ' 13' ' ' THR . 11.2 p -133.4 152.53 35.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.09 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.538 HG23 ' CD1' ' A' ' 27' ' ' PHE . 42.9 p -98.35 115.17 27.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.095 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 20.4 m -87.04 -7.51 10.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.151 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.551 ' HB2' ' CD2' ' A' ' 59' ' ' TYR . 37.3 mt-30 -151.83 145.85 18.13 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.591 0.71 . . . . 0.0 110.897 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 150.8 68.16 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.625 2.217 . . . . 0.0 112.353 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -133.31 149.13 51.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 73.8 m -114.43 116.59 29.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.12 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.467 ' HB3' ' N ' ' A' ' 26' ' ' GLY . 79.0 p -79.0 125.29 29.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.858 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 16.6 mp0 -83.46 -41.39 18.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.912 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.7 m -135.49 167.74 20.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.841 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' ' 23' ' ' ASP . 9.9 ptpp? -48.65 -41.58 31.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.928 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.42 ' N ' ' HG3' ' A' ' 22' ' ' LYS . 0.7 OUTLIER -45.09 -43.06 9.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.914 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -100.06 157.68 16.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 14.8 tt -123.24 134.96 64.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.096 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.467 ' N ' ' HB3' ' A' ' 19' ' ' SER . . . -98.33 130.51 10.25 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.538 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.538 ' CD1' HG23 ' A' ' 13' ' ' THR . 3.4 p90 -130.36 178.55 6.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.791 0.329 . . . . 0.0 110.899 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -110.16 170.34 8.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.865 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 57.7 tttt -86.98 123.76 32.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.95 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.0 35.7 3.12 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.467 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.9 m -132.16 160.69 42.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.833 0.349 . . . . 0.0 111.13 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 91.2 m -91.74 143.5 26.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.166 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 31.1 m -135.64 152.78 31.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.208 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 21.2 mp0 -109.58 108.4 18.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.861 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 63.2 t -75.31 103.09 2.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.112 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 56.5 mt -74.1 -63.7 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.165 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 41.3 mmm-85 -120.03 163.02 18.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.509 ' HG2' ' CD2' ' A' ' 44' ' ' TRP . 21.8 mtmt -132.41 132.88 43.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.855 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -117.02 159.91 21.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.913 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -86.18 -49.01 8.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.954 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -41.17 -52.51 3.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 148.29 36.12 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.492 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 9.9 m95 -131.94 117.12 18.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.735 0.302 . . . . 0.0 110.903 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.509 ' CD2' ' HG2' ' A' ' 38' ' ' LYS . 9.1 m0 -116.39 108.0 15.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.959 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.547 ' CE2' ' HB3' ' A' ' 52' ' ' GLU . 3.0 t80 -67.35 114.35 5.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.973 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 7.2 pt -120.81 163.75 18.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.09 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 45.3 ttt85 -123.55 119.99 31.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.859 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.492 ' CE1' ' HG ' ' A' ' 49' ' ' LEU . 24.5 t80 -131.81 129.19 40.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 -179.825 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.492 ' HG ' ' CE1' ' A' ' 48' ' ' TYR . 77.9 mt 61.38 37.85 16.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.961 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 67.81 22.58 73.82 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.507 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 42.8 mmtt -127.1 134.62 50.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.806 0.336 . . . . 0.0 110.875 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.547 ' HB3' ' CE2' ' A' ' 45' ' ' TYR . 31.8 mt-10 -103.98 128.53 51.53 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.87 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -152.14 174.66 31.08 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.488 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 16.3 m95 -92.67 119.77 32.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.761 0.315 . . . . 0.0 110.946 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -125.79 144.66 49.09 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.608 0.718 . . . . 0.0 111.075 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 117.94 5.38 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.625 2.216 . . . . 0.0 112.339 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -49.09 -20.91 0.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.105 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 67.8 m -61.33 -41.01 96.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.551 ' CD2' ' HB2' ' A' ' 15' ' ' GLN . 2.6 m-85 -90.97 26.66 2.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.946 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 15.4 mt -139.95 144.66 37.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.855 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.5 ptmt -152.88 135.73 15.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.553 ' HD2' ' CE1' ' A' ' 11' ' ' TYR . 12.9 tptm -52.85 119.82 5.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -92.73 178.13 5.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.127 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.3 pttm -130.62 114.75 15.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.976 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -75.37 158.25 33.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.2 t -75.23 -55.2 5.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 66.99 -158.31 50.54 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.445 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 114.0 3.56 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.62 2.214 . . . . 0.0 112.325 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 42.8 t -73.89 -47.64 36.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 13.8 m -97.63 127.28 43.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.949 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.254 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.515 179.995 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.6 p -88.23 97.63 11.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.91 0.386 . . . . 0.0 110.852 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.6 t -100.75 82.91 2.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.874 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.31 -136.43 17.33 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.498 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.1 p -93.02 147.32 22.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.938 0.399 . . . . 0.0 110.85 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -152.63 130.04 11.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.73 145.41 1.1 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.488 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -109.1 -52.05 2.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.891 0.377 . . . . 0.0 110.856 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -123.67 124.76 43.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.852 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 49.5 mttt -88.98 121.16 31.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.469 ' CD1' HG22 ' A' ' 35' ' ' VAL . 10.9 m-85 -106.85 166.8 10.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 79.9 t -124.71 138.73 53.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.101 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.423 HG21 ' CE1' ' A' ' 27' ' ' PHE . 19.3 p -87.55 142.63 27.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.5 m -114.64 -6.08 11.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.06 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 93.4 mm-40 -155.49 143.98 14.62 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.56 0.695 . . . . 0.0 110.991 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 128.89 16.71 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.718 2.279 . . . . 0.0 112.323 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.408 ' CE1' ' HG3' ' A' ' 56' ' ' PRO . 62.5 t80 -109.55 133.02 53.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.967 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 90.0 m -105.39 98.85 8.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.172 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.415 ' HB3' ' C ' ' A' ' 25' ' ' ILE . 21.4 p -81.43 124.61 29.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.875 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -112.38 27.24 9.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.876 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.1 p -150.45 133.52 16.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.897 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.1 ptpt -50.5 -39.2 47.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.935 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.45 -28.94 69.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -101.98 164.6 11.63 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.415 ' C ' ' HB3' ' A' ' 19' ' ' SER . 13.1 tt -130.45 144.36 38.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.082 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -111.51 136.25 13.43 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.482 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.423 ' CE1' HG21 ' A' ' 13' ' ' THR . 7.2 p90 -130.93 177.7 7.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.783 0.325 . . . . 0.0 110.92 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -108.96 165.37 11.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 42.1 tttt -83.32 129.34 34.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 99.33 25.8 9.18 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.502 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 26.1 m -120.71 -177.77 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.979 0.418 . . . . 0.0 111.118 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.4 m -115.0 142.15 47.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.162 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 36.0 m -133.81 160.72 41.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.143 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -119.43 115.67 24.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.91 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.469 HG22 ' CD1' ' A' ' 11' ' ' TYR . 42.1 t -81.64 107.87 14.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.094 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 77.2 mt -76.62 -67.85 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.106 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.7 mmt180 -119.57 164.58 15.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.827 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -134.25 151.88 51.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.844 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.472 ' O ' ' N ' ' A' ' 41' ' ' GLU . 0.3 OUTLIER -168.63 170.13 9.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.462 ' O ' ' N ' ' A' ' 42' ' ' GLY . 4.0 mm? 37.0 30.05 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 39' ' ' ASN . 19.6 mm-40 35.06 33.57 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 40' ' ' LEU . . . -154.3 -46.94 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.501 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 56.3 m95 -92.05 105.37 17.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.714 0.292 . . . . 0.0 110.874 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.528 ' CH2' ' HB2' ' A' ' 57' ' ' ALA . 8.2 m0 -117.8 107.86 14.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -55.47 105.9 0.21 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 7.1 pt -107.08 175.61 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.173 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 12.2 ttm180 -133.22 131.68 40.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.899 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.459 ' CZ ' ' HG ' ' A' ' 49' ' ' LEU . 26.3 t80 -150.28 147.62 27.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.962 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.459 ' HG ' ' CZ ' ' A' ' 48' ' ' TYR . 11.3 mt 53.62 40.26 31.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.928 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 60.05 32.95 77.31 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.414 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.412 ' O ' ' CD1' ' A' ' 25' ' ' ILE . 39.7 mtmt -149.39 129.32 13.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.784 0.326 . . . . 0.0 110.873 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -96.16 140.77 30.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -163.64 178.27 39.21 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.48 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 78.0 m95 -86.78 135.03 33.51 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.758 0.313 . . . . 0.0 110.931 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -147.76 144.01 18.6 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.58 0.705 . . . . 0.0 111.123 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.408 ' HG3' ' CE1' ' A' ' 17' ' ' TYR . 54.4 Cg_endo -69.66 117.86 5.33 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.668 2.245 . . . . 0.0 112.438 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.528 ' HB2' ' CH2' ' A' ' 44' ' ' TRP . . . -53.81 -16.88 1.96 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.118 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.9 t -63.27 -30.24 71.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -92.21 12.23 23.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.902 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.423 HD21 ' CZ ' ' A' ' 27' ' ' PHE . 10.0 mt -133.04 146.36 51.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.927 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.16 131.36 34.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 29.2 tttt -57.59 118.0 4.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.77 176.72 0.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.092 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -122.64 82.41 1.98 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -53.42 106.02 0.16 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.8 m -96.8 125.05 40.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.839 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -166.76 -95.03 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.494 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -13.4 34.7 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.67 2.247 . . . . 0.0 112.347 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.9 m 52.89 35.53 19.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.759 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 87.9 p -90.23 94.55 9.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.429 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.578 -179.94 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.449 -0.261 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.5 t -68.98 -57.69 5.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.915 0.388 . . . . 0.0 110.87 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.6 m -45.82 154.98 0.19 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.861 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.34 -109.59 2.36 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.433 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.4 p -104.9 80.7 1.66 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.881 0.372 . . . . 0.0 110.837 -179.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 m -131.05 81.02 1.97 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.92 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.62 -168.46 15.98 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.448 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 -113.43 -46.5 3.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.778 0.323 . . . . 0.0 110.905 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -143.42 111.13 5.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.909 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 27.5 mttp -81.93 111.76 18.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.563 ' CD1' HG22 ' A' ' 35' ' ' VAL . 6.3 m-85 -102.62 -179.77 4.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 81.3 t -132.07 144.32 37.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.152 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.562 HG21 ' CD1' ' A' ' 27' ' ' PHE . 57.2 p -94.46 130.67 40.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.144 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.8 m -100.16 -11.45 8.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.071 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.54 ' HB2' ' CD2' ' A' ' 59' ' ' TYR . 14.9 mm-40 -147.26 144.24 19.33 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.528 0.68 . . . . 0.0 110.939 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 146.42 60.2 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.724 2.283 . . . . 0.0 112.3 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -134.44 137.78 44.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.993 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 86.4 m -113.5 124.21 51.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.102 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 34.5 p -70.88 140.95 51.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 42.3 mm-40 -104.24 -47.95 4.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.903 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.8 t -110.71 -176.51 2.99 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.36 33.97 0.63 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.905 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -128.59 -30.28 2.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.5 mp0 -98.17 157.4 16.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 15.7 tt -120.69 138.03 52.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.115 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -99.26 123.53 7.93 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.511 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.562 ' CD1' HG21 ' A' ' 13' ' ' THR . 5.0 p90 -123.42 151.35 42.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.804 0.335 . . . . 0.0 110.882 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -88.32 168.8 12.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.891 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 28.0 tttm -86.75 127.61 34.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 99.17 33.35 5.48 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.487 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 15.6 m -127.58 173.72 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.904 0.383 . . . . 0.0 111.134 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.435 HG23 ' N ' ' A' ' 33' ' ' VAL . 97.5 m -110.03 138.54 46.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.176 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.435 ' N ' HG23 ' A' ' 32' ' ' THR . 29.5 m -129.91 168.41 23.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.149 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -122.4 106.54 11.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.563 HG22 ' CD1' ' A' ' 11' ' ' TYR . 58.6 t -71.07 94.58 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.059 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.408 ' CD1' ' HG2' ' A' ' 52' ' ' GLU . 44.9 mt -65.78 -57.04 12.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.082 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -140.69 111.39 6.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.834 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.509 ' HB2' ' CE2' ' A' ' 44' ' ' TRP . 12.0 pttt -101.53 122.66 44.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.875 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 64.2 m-80 -96.47 173.7 7.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -96.89 -32.73 11.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.968 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 19.7 mp0 -46.81 -60.6 2.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.837 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 161.01 35.8 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.491 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.467 ' HB3' ' CZ3' ' A' ' 54' ' ' TRP . 24.4 m95 -145.24 125.37 13.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.763 0.316 . . . . 0.0 110.945 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.552 ' CD1' ' HB1' ' A' ' 57' ' ' ALA . 11.3 m0 -119.12 111.29 18.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.964 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.488 ' CE2' ' HB3' ' A' ' 52' ' ' GLU . 4.1 t80 -74.75 123.98 25.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 -179.833 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 18.7 pt -134.55 168.68 23.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.158 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 32.5 ttt180 -126.29 117.45 23.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.941 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.516 ' CE1' ' HG ' ' A' ' 49' ' ' LEU . 14.9 t80 -130.49 132.47 45.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 -179.797 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.516 ' HG ' ' CE1' ' A' ' 48' ' ' TYR . 16.0 mt 62.33 36.34 14.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.894 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 65.13 34.18 88.99 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.478 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.45 134.01 28.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.665 0.269 . . . . 0.0 110.891 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.488 ' HB3' ' CE2' ' A' ' 45' ' ' TYR . 9.8 mt-10 -100.65 133.08 45.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.899 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -156.26 173.11 34.15 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.439 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.467 ' CZ3' ' HB3' ' A' ' 43' ' ' TRP . 37.4 m95 -87.44 116.71 25.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.719 0.295 . . . . 0.0 110.924 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -117.95 144.73 35.22 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.561 0.696 . . . . 0.0 111.134 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 146.24 59.97 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.714 2.276 . . . . 0.0 112.335 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.552 ' HB1' ' CD1' ' A' ' 44' ' ' TRP . . . -84.32 23.5 1.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.097 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 12.8 t -114.4 -22.51 9.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.54 ' CD2' ' HB2' ' A' ' 15' ' ' GLN . 7.4 m-85 -104.88 27.47 8.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.879 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 16.1 mt -136.9 144.18 43.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.875 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.63 131.72 26.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? -57.73 117.58 4.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -45.52 -63.4 0.96 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.078 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt 53.36 42.14 32.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.986 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -66.24 -54.55 23.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.2 m -54.15 168.66 0.21 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.867 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -102.55 146.32 16.74 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.494 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.68 158.2 57.89 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.679 2.252 . . . . 0.0 112.41 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 31.0 m -117.34 175.87 5.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.828 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 71.6 m -90.51 105.51 17.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.803 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.482 179.991 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.398 -0.281 . . . . 0.0 112.398 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -132.2 101.39 5.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.891 0.377 . . . . 0.0 110.854 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.3 t -137.99 124.72 21.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.834 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.11 -117.02 0.72 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.525 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.8 p -134.14 134.61 42.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.843 0.354 . . . . 0.0 110.877 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -57.85 106.35 0.35 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.87 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.26 139.85 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.441 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -101.15 -39.18 7.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.821 0.343 . . . . 0.0 110.941 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -110.96 110.7 21.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.825 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.1 mtmm -100.82 124.77 46.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.405 ' CD2' ' N ' ' A' ' 62' ' ' LYS . 6.8 m-85 -111.3 178.18 4.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.907 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 60.1 t -130.35 145.12 36.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.113 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.9 p -92.26 129.19 38.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.094 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.42 ' CG1' ' HD3' ' A' ' 61' ' ' LYS . 8.4 m -101.27 -9.47 9.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.161 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -150.75 144.01 16.88 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.625 0.726 . . . . 0.0 110.877 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.88 138.96 38.67 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.635 2.223 . . . . 0.0 112.281 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -123.75 133.55 53.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.934 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 92.7 m -102.74 119.85 39.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.185 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 68.9 p -81.66 121.98 27.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 20.4 mp0 -84.34 -29.88 25.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.903 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.0 m -133.83 156.92 47.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.829 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.2 ptmt -49.86 -43.06 48.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -44.93 -36.82 3.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -99.09 158.96 15.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 14.9 tt -122.02 129.24 75.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.081 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -92.81 125.26 8.08 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.481 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -126.01 167.61 15.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.789 0.328 . . . . 0.0 110.923 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -104.1 172.54 6.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 36.9 tttt -88.93 119.21 29.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 110.45 34.61 2.25 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.472 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.1 m -131.43 170.7 19.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.915 0.388 . . . . 0.0 111.171 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.9 m -105.91 140.29 39.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.149 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 17.8 m -132.25 149.32 32.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.14 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.441 ' OE1' ' NH2' ' A' ' 47' ' ' ARG . 17.1 mt-10 -107.8 113.53 26.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 33.8 t -78.07 116.23 21.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.13 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 13.7 mt -89.02 -53.8 8.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.133 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 13.4 mmm180 -135.03 105.41 6.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -93.57 132.27 38.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -101.03 -175.54 2.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.969 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.453 ' O ' ' C ' ' A' ' 41' ' ' GLU . 22.0 mt -70.56 86.65 0.64 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 40' ' ' LEU . 50.9 mt-10 34.37 52.2 0.5 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -139.81 -64.52 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.463 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.491 ' HB3' ' CZ3' ' A' ' 54' ' ' TRP . 34.4 m95 -136.3 109.63 7.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.811 0.339 . . . . 0.0 110.894 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.516 ' CD1' ' HB1' ' A' ' 57' ' ' ALA . 23.1 m0 -106.52 104.48 14.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.949 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.489 ' CE2' ' HB3' ' A' ' 52' ' ' GLU . 4.7 t80 -63.43 114.49 3.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.945 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 22.1 pt -124.05 161.93 26.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.133 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.441 ' NH2' ' OE1' ' A' ' 34' ' ' GLU . 3.0 ttp-105 -121.77 127.36 50.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.482 ' CE1' ' HG ' ' A' ' 49' ' ' LEU . 15.9 t80 -137.93 133.18 33.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.922 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.482 ' HG ' ' CE1' ' A' ' 48' ' ' TYR . 14.4 mt 62.4 34.75 15.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.85 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 68.15 31.79 75.41 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.436 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.7 ttpp -138.77 131.01 28.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.723 0.297 . . . . 0.0 110.882 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.489 ' HB3' ' CE2' ' A' ' 45' ' ' TYR . 11.0 mt-10 -98.86 126.67 44.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.879 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -148.87 177.13 27.31 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.471 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.491 ' CZ3' ' HB3' ' A' ' 43' ' ' TRP . 28.7 m95 -89.09 125.84 35.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.803 0.335 . . . . 0.0 110.944 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -133.02 145.05 55.36 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.576 0.703 . . . . 0.0 111.156 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 147.26 62.7 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.674 2.249 . . . . 0.0 112.35 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.516 ' HB1' ' CD1' ' A' ' 44' ' ' TRP . . . -84.62 23.34 1.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.089 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 65.5 m -112.39 -28.95 7.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.836 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -96.19 26.22 4.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.967 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 20.9 mt -140.26 140.72 35.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.937 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.42 ' HD3' ' CG1' ' A' ' 14' ' ' VAL . 16.4 pttp -132.07 132.82 43.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.405 ' N ' ' CD2' ' A' ' 11' ' ' TYR . 31.1 tttm -53.0 123.34 11.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 179.804 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.03 -35.88 69.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.09 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.99 87.82 2.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -51.95 101.79 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.861 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 7.4 t -39.99 -46.42 2.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -60.78 -171.34 0.71 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.469 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 134.14 27.21 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.676 2.251 . . . . 0.0 112.297 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 51.1 m -49.9 175.49 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 77.8 p -130.8 120.62 24.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.878 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.386 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.518 -179.923 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.9 p -72.42 -48.09 44.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.9 0.381 . . . . 0.0 110.861 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.5 m -65.97 -59.79 3.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.854 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 56.07 63.89 4.89 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.489 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.8 p -162.46 159.63 25.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.868 0.366 . . . . 0.0 110.893 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 t 54.79 44.08 29.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.833 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.47 73.48 0.55 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.485 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -40.17 -47.05 2.33 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.824 0.345 . . . . 0.0 110.911 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 49.1 mm-40 -146.77 120.21 9.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.901 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.462 ' CE ' HG23 ' A' ' 32' ' ' THR . 34.5 mtpt -78.13 112.05 14.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.933 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -100.65 177.63 4.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.939 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 96.4 t -130.24 142.77 42.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.07 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.52 HG21 ' CE1' ' A' ' 27' ' ' PHE . 57.0 p -93.98 120.96 34.96 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.142 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.8 m -87.62 -12.72 10.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.099 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -148.15 145.06 19.7 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.599 0.714 . . . . 0.0 110.939 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.79 151.53 68.9 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.638 2.225 . . . . 0.0 112.327 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -128.15 148.86 50.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 10.5 m -117.64 105.31 11.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.102 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.428 ' OG ' ' N ' ' A' ' 25' ' ' ILE . 2.3 m -96.16 138.66 33.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.845 -179.822 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -125.31 25.01 7.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.8 m -162.76 141.12 8.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.0 pttt -44.58 -49.5 10.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -47.2 -38.6 12.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.853 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -100.64 158.39 15.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.428 ' N ' ' OG ' ' A' ' 19' ' ' SER . 14.6 tt -132.28 135.06 58.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.07 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.416 ' N ' ' HB2' ' A' ' 19' ' ' SER . . . -104.39 129.42 9.84 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.494 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.52 ' CE1' HG21 ' A' ' 13' ' ' THR . 1.9 p90 -130.85 170.89 13.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.829 0.347 . . . . 0.0 110.855 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -99.66 178.89 4.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.967 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 28.6 tttm -94.21 125.0 38.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 103.13 38.88 2.77 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.449 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 6.3 m -133.48 171.21 18.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.895 0.379 . . . . 0.0 111.139 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.462 HG23 ' CE ' ' A' ' 10' ' ' LYS . 95.8 m -106.36 134.1 50.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.17 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 35.2 m -121.76 147.72 25.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.123 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 80.4 mt-10 -99.47 109.19 21.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.925 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 47.5 t -75.0 106.31 4.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 47.0 mt -80.93 -64.09 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.119 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 7.4 mtp85 -118.36 170.11 9.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.526 ' HD3' ' CH2' ' A' ' 44' ' ' TRP . 36.4 mtmt -142.73 138.54 30.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.922 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -120.7 179.75 4.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.852 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 41' ' ' GLU . 5.2 mp -98.06 -58.53 1.96 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.928 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 40' ' ' LEU . 3.2 tt0 -34.37 -56.75 0.51 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 152.49 47.83 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.498 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.532 ' CZ3' ' HB3' ' A' ' 54' ' ' TRP . 36.8 m95 -136.41 125.51 24.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.795 0.331 . . . . 0.0 110.846 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.526 ' CH2' ' HD3' ' A' ' 38' ' ' LYS . 8.3 m0 -123.78 106.36 10.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.43 ' CE2' ' HB3' ' A' ' 52' ' ' GLU . 2.6 t80 -65.44 117.32 7.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.938 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 14.2 pt -126.14 163.64 27.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.182 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 38.4 ttt180 -121.99 119.85 32.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.837 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.458 ' CE2' HD11 ' A' ' 49' ' ' LEU . 44.1 t80 -134.42 131.48 38.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.014 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.458 HD11 ' CE2' ' A' ' 48' ' ' TYR . 13.2 mt 62.51 36.39 14.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.939 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 66.83 30.35 76.02 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.492 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.6 mtpm? -138.5 129.95 27.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.765 0.317 . . . . 0.0 110.91 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.43 ' HB3' ' CE2' ' A' ' 45' ' ' TYR . 2.0 mp0 -100.01 119.73 38.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -140.8 -177.7 16.44 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.458 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.532 ' HB3' ' CZ3' ' A' ' 43' ' ' TRP . 33.7 m95 -96.61 131.41 43.29 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.845 0.355 . . . . 0.0 110.929 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -140.63 144.28 35.69 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.606 0.717 . . . . 0.0 111.073 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 129.28 17.27 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.694 2.263 . . . . 0.0 112.386 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.14 -19.38 7.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.087 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 62.9 m -67.11 -35.97 80.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.828 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -88.62 22.61 2.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.9 mt -141.94 137.15 31.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.8 ptmt -131.73 130.75 42.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.6 tttm -54.37 113.25 1.2 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.874 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.92 151.09 45.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.08 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.6 -177.21 3.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.861 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -126.89 152.09 47.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.935 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 38.7 t -46.64 108.08 0.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 174.7 146.15 5.59 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.512 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 175.01 8.67 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.646 2.231 . . . . 0.0 112.371 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 32.3 m -101.04 -53.63 2.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 62.6 m -121.51 131.65 54.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.806 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.46 -179.984 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.1 p -103.77 128.69 51.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.839 0.352 . . . . 0.0 110.828 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.6 p -75.0 153.62 38.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.817 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.7 60.58 0.55 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.422 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.9 m -89.7 86.22 6.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.952 0.406 . . . . 0.0 110.882 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.2 t -170.41 135.6 1.25 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.875 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.77 94.99 0.79 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.487 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -47.01 -47.71 22.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.838 0.352 . . . . 0.0 110.917 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -145.58 123.2 11.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.876 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 78.3 mttt -85.83 116.12 23.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.959 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.512 ' CE2' ' N ' ' A' ' 62' ' ' LYS . 5.9 m-85 -104.69 -177.99 3.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 39.4 t -132.89 146.94 31.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.142 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.437 HG23 ' CE1' ' A' ' 27' ' ' PHE . 70.7 p -91.96 145.01 24.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.085 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.2 m -116.56 -9.1 12.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.154 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 36.3 mm-40 -154.56 144.05 15.24 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.622 0.725 . . . . 0.0 110.883 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 141.59 45.52 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.711 2.274 . . . . 0.0 112.293 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 41.7 t80 -128.52 140.13 51.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.4 m -110.87 118.75 36.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.211 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.446 ' OG ' ' N ' ' A' ' 25' ' ' ILE . 2.0 m -99.97 125.18 45.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -110.0 27.88 9.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 35.5 t -159.23 135.62 9.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.8 tttp -45.43 -39.27 6.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.843 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -58.84 -36.38 74.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.797 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -101.59 151.79 21.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.446 ' N ' ' OG ' ' A' ' 19' ' ' SER . 12.3 tt -120.86 141.17 42.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.126 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.429 ' N ' ' HB2' ' A' ' 19' ' ' SER . . . -103.62 126.73 8.9 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.506 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.437 ' CE1' HG23 ' A' ' 13' ' ' THR . 21.7 p90 -128.38 172.4 11.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.819 0.342 . . . . 0.0 110.897 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -102.66 -176.02 2.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 35.1 tttt -102.15 115.93 31.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 112.79 27.44 3.78 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.513 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 6.0 m -120.28 173.58 6.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.901 0.381 . . . . 0.0 111.108 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 98.5 m -106.93 139.28 41.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.111 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 30.1 m -134.72 146.9 30.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.177 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -102.04 111.55 23.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.923 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.466 ' CG1' ' HD3' ' A' ' 38' ' ' LYS . 61.9 t -70.54 122.68 22.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.161 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 18.0 mt -101.64 -70.18 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.169 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 40.8 mmt180 -97.43 162.01 13.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.564 ' HE3' ' CZ2' ' A' ' 44' ' ' TRP . 1.8 mmmm -143.27 122.74 13.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 67.9 m-20 -121.78 156.21 33.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.964 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 41.9 tp -79.25 -41.07 29.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -46.69 -51.4 16.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 143.32 40.65 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.462 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.564 ' HB3' ' CZ3' ' A' ' 54' ' ' TRP . 12.8 m95 -131.07 114.28 14.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.761 0.315 . . . . 0.0 110.871 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.564 ' CZ2' ' HE3' ' A' ' 38' ' ' LYS . 29.2 m0 -114.53 100.74 8.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.962 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.464 ' CE2' ' HB3' ' A' ' 52' ' ' GLU . 12.3 t80 -63.98 102.87 0.53 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.88 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 16.2 pt -109.09 168.92 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.099 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 24.6 ttp180 -128.01 117.26 21.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.802 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.523 ' CE1' ' HG ' ' A' ' 49' ' ' LEU . 20.0 t80 -125.6 126.24 44.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.523 ' HG ' ' CE1' ' A' ' 48' ' ' TYR . 28.3 mt 61.58 32.82 18.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.946 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.42 ' C ' ' HE3' ' A' ' 51' ' ' LYS . . . 79.16 -4.63 61.83 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.457 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.42 ' HE3' ' C ' ' A' ' 50' ' ' GLY . 0.0 OUTLIER -98.41 122.23 41.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.824 0.345 . . . . 0.0 110.891 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.464 ' HB3' ' CE2' ' A' ' 45' ' ' TYR . 34.1 mt-10 -98.94 129.3 45.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -153.93 -176.48 26.35 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.412 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.564 ' CZ3' ' HB3' ' A' ' 43' ' ' TRP . 51.5 m95 -96.88 131.88 43.2 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.789 0.328 . . . . 0.0 110.891 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -141.89 145.25 35.7 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.553 0.692 . . . . 0.0 111.062 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 122.41 9.1 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.72 2.28 . . . . 0.0 112.306 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -52.51 -19.9 2.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.126 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.8 t -64.58 -30.98 72.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -92.22 24.5 3.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.918 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.1 mt -144.71 145.01 31.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.965 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.473 ' C ' ' CD2' ' A' ' 11' ' ' TYR . 42.9 pttt -138.65 133.67 32.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.831 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.512 ' N ' ' CE2' ' A' ' 11' ' ' TYR . 9.0 tttp -52.44 120.41 5.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.871 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -79.58 82.34 5.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.039 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -81.29 152.16 27.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.932 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -159.0 174.52 14.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.917 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 36.3 m 51.89 42.64 30.28 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -126.74 83.58 0.34 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.41 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.86 0.27 5.96 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.69 2.26 . . . . 0.0 112.28 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 60.3 p -139.33 126.73 21.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.0 t -116.44 109.95 17.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.865 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.495 179.998 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.0 t -147.35 145.78 29.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.97 0.414 . . . . 0.0 110.782 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.3 m -61.38 130.19 44.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.895 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.77 136.02 8.61 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.462 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.9 p -85.38 73.22 10.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.88 0.372 . . . . 0.0 110.924 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.5 m -146.55 167.37 23.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 8' ' ' GLU . . . 76.99 82.48 0.55 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.477 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 7' ' ' GLY . 6.8 pt-20 -34.77 -36.29 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.825 0.345 . . . . 0.0 110.909 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 7' ' ' GLY . 53.8 mt-10 -152.51 139.3 18.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.404 ' HE2' ' CG2' ' A' ' 32' ' ' THR . 15.8 mtpt -115.81 128.0 55.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -110.52 177.58 4.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 85.8 t -126.22 128.95 72.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.112 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.557 HG21 ' CD1' ' A' ' 27' ' ' PHE . 73.3 p -81.96 112.59 19.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.164 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.5 m -85.44 -11.94 11.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.136 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -144.2 144.84 27.35 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.605 0.716 . . . . 0.0 110.903 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 156.68 62.77 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.685 2.256 . . . . 0.0 112.322 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.4 ' CE1' ' HD3' ' A' ' 56' ' ' PRO . 53.4 t80 -133.75 143.63 48.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.961 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.418 ' O ' ' NE2' ' A' ' 20' ' ' GLN . 85.7 m -107.45 109.45 21.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.1 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.423 ' HB3' ' N ' ' A' ' 26' ' ' GLY . 78.1 p -69.5 101.47 1.6 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.418 ' NE2' ' O ' ' A' ' 18' ' ' THR . 27.2 mp0 -68.87 -36.29 77.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.4 t -140.54 163.16 33.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.877 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -49.68 -32.79 14.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -56.86 -37.53 71.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.847 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -100.09 154.98 17.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 13.5 tt -118.17 139.57 44.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.142 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.423 ' N ' ' HB3' ' A' ' 19' ' ' SER . . . -102.67 124.65 8.24 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.453 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.557 ' CD1' HG21 ' A' ' 13' ' ' THR . 3.0 p90 -130.61 156.17 45.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.776 0.322 . . . . 0.0 110.871 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -85.34 168.46 14.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.88 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 54.7 tttt -88.74 114.36 25.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.892 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 121.0 22.07 3.02 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.499 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.2 m -121.27 165.4 16.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.994 0.426 . . . . 0.0 111.059 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.404 ' CG2' ' HE2' ' A' ' 10' ' ' LYS . 49.5 m -104.59 134.61 47.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.164 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 28.9 m -121.22 173.35 7.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.109 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -117.32 108.82 16.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 19.3 t -78.13 106.51 8.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.167 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 24.9 mt -80.14 -57.96 4.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.147 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 36.2 mmt-85 -124.71 174.48 7.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.835 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 80.8 mttt -141.43 140.03 33.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.88 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 28.7 t30 -125.22 117.75 24.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.424 ' O ' ' C ' ' A' ' 41' ' ' GLU . 25.6 mt -44.4 -55.54 4.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.967 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 40' ' ' LEU . 41.0 mt-10 -36.48 -57.71 0.74 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 151.88 44.29 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.471 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.472 ' HB3' ' CZ3' ' A' ' 54' ' ' TRP . 13.1 m95 -139.41 108.86 6.15 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.763 0.316 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 12.0 m0 -111.34 104.75 13.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.902 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.532 ' CE2' ' HB3' ' A' ' 52' ' ' GLU . 3.5 t80 -63.85 116.27 5.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.952 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 11.7 pt -123.53 167.22 17.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.098 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 16.3 ttt180 -126.59 125.22 41.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.489 ' CZ ' HD11 ' A' ' 49' ' ' LEU . 38.4 t80 -136.36 129.41 31.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.938 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.489 HD11 ' CZ ' ' A' ' 48' ' ' TYR . 12.3 mt 61.97 38.63 14.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.927 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 65.59 36.36 92.35 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.509 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.6 mtmp? -143.81 126.18 15.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.862 0.363 . . . . 0.0 110.907 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.532 ' HB3' ' CE2' ' A' ' 45' ' ' TYR . 38.7 mt-10 -96.59 122.49 39.56 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -146.81 168.04 28.14 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.515 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.472 ' CZ3' ' HB3' ' A' ' 43' ' ' TRP . 63.6 m95 -80.82 129.88 34.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.709 0.29 . . . . 0.0 110.927 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -138.59 144.08 40.77 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.598 0.713 . . . . 0.0 111.113 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.4 ' HD3' ' CE1' ' A' ' 17' ' ' TYR . 53.1 Cg_endo -69.79 122.69 9.35 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.68 2.253 . . . . 0.0 112.292 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -52.51 -27.33 15.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.063 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.6 m -60.74 -28.32 68.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.854 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -96.28 29.15 2.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.958 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.423 ' CD2' HG23 ' A' ' 13' ' ' THR . 9.8 mt -149.22 139.05 21.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.895 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.1 pttp -134.71 134.71 41.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.839 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.412 ' HD3' ' C ' ' A' ' 62' ' ' LYS . 5.6 tmtm? -49.85 112.42 0.66 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.37 177.24 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.082 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -98.33 139.06 34.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -129.55 145.85 51.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.822 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.6 t -61.78 -57.05 13.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.37 78.54 1.09 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.517 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -0.27 6.66 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.7 2.267 . . . . 0.0 112.39 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 16.7 t -51.92 -45.46 64.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.827 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 29.8 p -117.57 90.42 3.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.802 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.433 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.494 179.994 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.2 p -114.01 124.84 53.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.918 0.39 . . . . 0.0 110.804 -179.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.9 t -48.92 106.82 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.87 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.85 136.76 10.1 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.469 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 t -103.61 41.83 1.24 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.872 0.368 . . . . 0.0 110.881 -179.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.1 m -137.28 176.34 8.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.847 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.65 127.69 5.07 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.494 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -130.48 -55.98 1.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.786 0.327 . . . . 0.0 110.855 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -124.41 128.56 49.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 30.5 mttt -89.92 111.05 21.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.931 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.551 ' CD1' HG21 ' A' ' 35' ' ' VAL . 5.0 m-85 -101.81 -178.1 3.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.938 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.7 p -139.69 144.05 29.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.032 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.553 HG21 ' CE1' ' A' ' 27' ' ' PHE . 41.1 p -91.31 132.21 36.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.136 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 18.1 m -101.43 -10.24 8.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.1 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 61.3 mm-40 -148.78 144.32 18.15 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.662 0.744 . . . . 0.0 110.914 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 142.24 47.51 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.694 2.262 . . . . 0.0 112.332 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -119.47 151.19 38.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.944 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 43.1 m -120.65 95.83 4.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.177 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.411 ' HB3' ' C ' ' A' ' 25' ' ' ILE . 65.9 p -67.83 138.93 56.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 92.8 mm-40 -99.55 -40.73 7.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 74.5 m -129.58 170.25 14.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.5 ptpp? -54.29 -42.81 70.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.878 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -43.25 -45.19 5.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.906 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -98.88 157.98 15.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.869 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.496 ' CD1' ' O ' ' A' ' 51' ' ' LYS . 13.7 tt -122.42 138.25 53.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.088 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -106.35 125.06 8.0 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.478 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.553 ' CE1' HG21 ' A' ' 13' ' ' THR . 1.7 p90 -126.29 171.72 10.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.824 0.345 . . . . 0.0 110.876 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -101.79 173.09 6.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.941 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 31.6 tttm -90.51 126.15 35.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.937 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 101.73 30.17 5.93 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.455 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 16.0 m -125.63 168.07 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.922 0.391 . . . . 0.0 111.11 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 80.4 m -99.38 143.01 30.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.155 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.0 m -136.36 157.69 37.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.16 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -116.05 115.28 25.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.551 HG21 ' CD1' ' A' ' 11' ' ' TYR . 58.6 t -78.43 103.28 5.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.109 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 41.4 mt -75.29 -64.3 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.1 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 47.2 mtt180 -132.83 112.3 11.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.507 ' HB2' ' CE2' ' A' ' 44' ' ' TRP . 8.1 pttm -106.75 148.2 28.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 18.8 m-20 -125.22 -176.87 3.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.886 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 11.6 mt -98.18 -42.58 7.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -38.15 -58.67 0.94 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.819 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 153.82 38.97 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.497 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.437 ' CE3' ' HB3' ' A' ' 54' ' ' TRP . 18.1 m95 -143.55 116.76 8.97 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.738 0.304 . . . . 0.0 110.954 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.507 ' CE2' ' HB2' ' A' ' 38' ' ' LYS . 14.9 m0 -116.76 112.51 21.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.946 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.511 ' CE2' ' HB3' ' A' ' 52' ' ' GLU . 3.6 t80 -75.58 123.12 24.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.963 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 11.3 pt -132.67 168.46 24.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.07 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 48.1 ttt180 -123.56 115.96 22.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.834 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.523 ' CE2' HD13 ' A' ' 49' ' ' LEU . 22.1 t80 -130.58 128.81 41.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.523 HD13 ' CE2' ' A' ' 48' ' ' TYR . 13.1 mt 62.7 41.02 9.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.875 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 60.61 35.98 90.53 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.47 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.496 ' O ' ' CD1' ' A' ' 25' ' ' ILE . 55.9 mttt -141.69 123.75 15.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.787 0.327 . . . . 0.0 110.847 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.511 ' HB3' ' CE2' ' A' ' 45' ' ' TYR . 2.1 mp0 -95.91 125.33 40.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.459 ' O ' ' CD1' ' A' ' 45' ' ' TYR . . . -150.49 -176.47 23.51 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.453 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.437 ' HB3' ' CE3' ' A' ' 43' ' ' TRP . 61.9 m95 -100.16 115.27 29.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.736 0.303 . . . . 0.0 110.964 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -122.65 142.82 38.45 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.543 0.687 . . . . 0.0 111.112 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 120.92 7.63 Favored 'Trans proline' 0 C--O 1.231 0.128 0 C-N-CA 122.685 2.256 . . . . 0.0 112.329 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -44.17 -33.15 1.43 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.092 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.0 m -49.22 -39.31 29.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.827 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -90.33 26.22 2.0 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.941 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 13.3 mt -146.74 152.53 38.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.829 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.49 ' C ' ' CD2' ' A' ' 11' ' ' TYR . 5.7 ptmm? -157.96 135.02 10.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.538 ' N ' ' CE2' ' A' ' 11' ' ' TYR . 58.6 tttt -48.81 123.3 6.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.934 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -99.51 111.84 24.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.07 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 17.7 ttpt -103.22 114.66 29.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -96.6 -58.96 1.92 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.864 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.3 t -143.37 147.34 34.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.822 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 167.09 -157.97 30.69 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.541 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.89 178.94 4.14 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.611 2.207 . . . . 0.0 112.266 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 57.2 m -125.66 167.05 15.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 50.1 m -87.81 136.33 33.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.955 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.463 -179.956 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -38.74 156.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.844 0.354 . . . . 0.0 110.849 -179.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -136.65 174.24 10.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.6 -171.15 23.36 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.472 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.0 p -119.77 130.7 55.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.863 0.363 . . . . 0.0 110.823 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.8 m -105.49 90.8 3.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.802 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.96 143.5 15.74 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.472 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -112.26 -46.36 3.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.834 0.35 . . . . 0.0 110.865 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -142.16 137.69 31.04 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.837 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 29.8 mttp -106.98 116.73 32.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.936 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -107.48 176.53 5.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.899 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 24.3 t -132.38 140.7 47.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.124 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.449 HG23 ' CD1' ' A' ' 27' ' ' PHE . 22.5 p -89.23 135.04 33.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.127 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.455 ' CG1' ' HD3' ' A' ' 61' ' ' LYS . 7.0 m -103.05 -16.13 7.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.113 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.407 ' HB2' ' CD2' ' A' ' 59' ' ' TYR . 41.9 mm-40 -143.68 146.54 35.51 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.599 0.714 . . . . 0.0 110.903 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.65 151.24 69.67 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.732 2.288 . . . . 0.0 112.343 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 84.6 t80 -134.55 142.27 46.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.031 0.443 . . . . 0.0 110.845 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 37.1 m -109.94 116.94 32.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.176 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.403 ' HB3' ' N ' ' A' ' 26' ' ' GLY . 96.7 p -76.87 123.71 26.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.1 mp0 -82.93 -46.16 13.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.97 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.2 m -124.48 154.26 40.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.836 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -45.29 -38.19 5.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.865 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -47.92 -40.81 23.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.857 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.9 mp0 -98.99 159.37 15.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.885 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 11.7 tt -121.06 142.53 36.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.131 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.403 ' N ' ' HB3' ' A' ' 19' ' ' SER . . . -109.15 127.82 8.71 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.606 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.449 ' CD1' HG23 ' A' ' 13' ' ' THR . 4.7 p90 -124.54 172.83 8.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.779 0.323 . . . . 0.0 110.927 -179.796 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -104.11 167.98 9.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 56.3 tttt -85.55 121.27 28.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.928 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.78 32.13 3.96 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.518 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 18.6 m -125.75 177.92 4.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.875 0.369 . . . . 0.0 111.126 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 51.5 m -111.53 142.67 43.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 30.8 m -139.78 149.1 22.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.121 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -103.14 117.69 35.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 83.0 t -79.9 110.69 15.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.158 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 45.0 mt -85.11 -63.9 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.067 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 22.4 mtp85 -127.28 107.9 10.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.441 ' HB2' ' CE2' ' A' ' 44' ' ' TRP . 11.9 pttp -97.89 134.28 41.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.9 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -101.33 -177.02 3.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.957 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.497 ' O ' ' CD1' ' A' ' 40' ' ' LEU . 0.2 OUTLIER -73.14 88.09 1.44 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 37.02 52.71 1.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.871 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -141.5 -60.46 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.504 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.529 ' HB3' ' CZ3' ' A' ' 54' ' ' TRP . 21.8 m95 -140.33 116.65 10.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.758 0.313 . . . . 0.0 110.943 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.469 ' CD1' ' HB2' ' A' ' 57' ' ' ALA . 14.5 m0 -112.36 103.91 12.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.447 ' CE1' ' C ' ' A' ' 53' ' ' GLY . 3.1 t80 -68.39 118.11 11.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.963 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 26.0 pt -122.35 170.94 11.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.132 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 14.9 ttm180 -127.86 116.36 20.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.472 ' CZ ' ' HG ' ' A' ' 49' ' ' LEU . 21.3 t80 -135.5 143.68 45.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.925 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.472 ' HG ' ' CZ ' ' A' ' 48' ' ' TYR . 11.3 mt 54.67 35.64 24.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.97 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 64.15 20.68 65.25 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.499 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.406 ' CE ' ' HA ' ' A' ' 51' ' ' LYS . 0.5 OUTLIER -125.41 136.02 52.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.804 0.335 . . . . 0.0 110.899 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -102.79 130.52 49.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.447 ' C ' ' CE1' ' A' ' 45' ' ' TYR . . . -154.73 177.09 32.23 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.474 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.529 ' CZ3' ' HB3' ' A' ' 43' ' ' TRP . 22.7 m95 -90.14 118.98 30.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.742 0.306 . . . . 0.0 110.99 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -119.48 144.13 36.03 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.606 0.717 . . . . 0.0 111.095 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.65 147.07 62.74 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.622 2.215 . . . . 0.0 112.431 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.469 ' HB2' ' CD1' ' A' ' 44' ' ' TRP . . . -85.37 22.94 1.4 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.15 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 39.8 t -112.45 -27.58 8.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.407 ' CD2' ' HB2' ' A' ' 15' ' ' GLN . 16.1 m-85 -98.51 26.99 5.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.925 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 18.1 mt -137.11 143.18 42.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.455 ' HD3' ' CG1' ' A' ' 14' ' ' VAL . 15.1 pttp -136.72 135.29 38.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.801 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.45 ' HD2' ' CB ' ' A' ' 64' ' ' LYS . 2.4 tmtt? -63.59 106.77 1.01 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 62' ' ' LYS . . . -34.41 -45.87 0.24 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.067 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.45 ' CB ' ' HD2' ' A' ' 62' ' ' LYS . 8.1 tptp -60.04 138.73 57.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.853 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -136.13 140.56 43.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.857 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 67' ' ' GLY . 17.1 p -64.82 88.11 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 -179.775 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 66' ' ' SER . . . 33.94 -96.33 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.49 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.433 ' N ' ' O ' ' A' ' 66' ' ' SER . 53.7 Cg_endo -69.73 159.37 53.69 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.696 2.264 . . . . 0.0 112.308 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.9 t -57.67 -43.02 84.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 27.9 t -142.07 129.88 21.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.88 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.51 179.983 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.0 m -113.64 90.16 3.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.839 0.352 . . . . 0.0 110.834 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 t -155.06 133.47 11.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.04 110.86 0.24 Allowed Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.517 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.1 p 43.51 41.7 3.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.908 0.385 . . . . 0.0 110.85 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 m -53.7 -57.05 12.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.807 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.91 91.27 1.68 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.551 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -92.12 -60.04 1.95 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.798 0.332 . . . . 0.0 110.913 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -135.15 106.8 6.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.88 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 39.8 mttt -88.36 111.69 22.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.944 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.568 ' CE1' ' HD2' ' A' ' 62' ' ' LYS . 3.6 m-85 -104.07 164.67 11.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.961 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 88.7 t -120.71 145.79 26.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.109 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.418 HG21 ' CD1' ' A' ' 27' ' ' PHE . 24.8 p -95.75 113.91 25.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.157 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.0 m -86.1 -8.1 11.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.121 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.477 ' HB2' ' CD2' ' A' ' 59' ' ' TYR . 37.3 mt-30 -150.48 145.23 18.23 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.678 0.752 . . . . 0.0 110.912 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 152.39 69.56 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.674 2.249 . . . . 0.0 112.361 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -133.8 131.72 39.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 22.5 m -99.28 111.17 23.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.127 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.464 ' HB3' ' N ' ' A' ' 26' ' ' GLY . 78.5 p -74.51 133.25 42.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.936 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 95.2 mm-40 -90.7 -30.18 17.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 22' ' ' LYS . 18.8 m -154.57 163.78 39.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.824 -179.802 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.449 ' O ' ' C ' ' A' ' 23' ' ' ASP . 0.7 OUTLIER -36.04 -59.73 0.59 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.899 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' A' ' 22' ' ' LYS . 13.6 p-10 -34.43 -43.21 0.16 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.888 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 -98.47 151.58 20.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.931 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.416 ' C ' ' HB3' ' A' ' 19' ' ' SER . 13.7 tt -122.61 135.03 64.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.073 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.464 ' N ' ' HB3' ' A' ' 19' ' ' SER . . . -102.43 133.68 11.49 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.478 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.418 ' CD1' HG21 ' A' ' 13' ' ' THR . 3.6 p90 -138.19 168.28 20.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.83 0.348 . . . . 0.0 110.867 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -96.11 173.15 7.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 45.0 tttt -92.31 116.69 29.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 116.76 24.2 3.75 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.534 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 5.8 m -116.33 -178.38 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.901 0.381 . . . . 0.0 111.147 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 92.5 m -115.12 136.57 52.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.158 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.1 m -126.43 166.18 23.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.155 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -122.73 113.14 18.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.959 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.412 HG11 ' CE3' ' A' ' 44' ' ' TRP . 96.4 t -76.51 112.67 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.186 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 78.8 mt -88.89 -60.04 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.154 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 58.3 mtm180 -122.99 157.08 33.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.851 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 51.4 mttp -122.98 126.73 47.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.871 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.408 ' CB ' ' O ' ' A' ' 43' ' ' TRP . 19.2 t30 -104.99 -179.23 3.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 52.2 mt -107.87 -19.21 13.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.937 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -93.8 49.78 1.38 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 48.5 46.18 29.5 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.483 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.408 ' O ' ' CB ' ' A' ' 39' ' ' ASN . 10.3 m95 -135.62 109.06 7.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.741 0.305 . . . . 0.0 110.907 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.412 ' CE3' HG11 ' A' ' 35' ' ' VAL . 11.8 m0 -115.73 106.17 13.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.509 ' CE2' ' HB3' ' A' ' 52' ' ' GLU . 3.7 t80 -62.53 116.96 5.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 10.3 pt -125.52 167.27 20.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.066 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 9.7 ttp180 -126.11 121.79 33.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.862 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.501 ' CE2' HD13 ' A' ' 49' ' ' LEU . 15.6 t80 -134.02 130.71 37.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.501 HD13 ' CE2' ' A' ' 48' ' ' TYR . 23.8 mt 61.13 37.77 17.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.95 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 65.19 35.16 91.32 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.491 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 15.4 ttmt -140.94 125.98 18.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.777 0.322 . . . . 0.0 110.907 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.509 ' HB3' ' CE2' ' A' ' 45' ' ' TYR . 41.7 mt-10 -95.89 125.14 40.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.918 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -147.49 -174.49 19.49 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.446 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 32.6 m95 -101.39 120.7 40.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.778 0.323 . . . . 0.0 110.926 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -127.45 144.13 49.81 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.544 0.687 . . . . 0.0 111.132 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 128.87 16.6 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.699 2.266 . . . . 0.0 112.309 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.75 -16.23 25.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.061 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.1 m -71.21 -25.25 62.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.813 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.477 ' CD2' ' HB2' ' A' ' 15' ' ' GLN . 4.3 m-85 -101.5 22.25 12.95 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 14.7 mt -138.35 137.2 37.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.91 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.75 131.76 39.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.568 ' HD2' ' CE1' ' A' ' 11' ' ' TYR . 15.8 tptm -57.72 120.5 8.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -77.28 75.21 3.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.076 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.1 pttp -111.54 74.75 0.88 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.954 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -51.66 119.74 4.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.904 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.6 t -137.14 158.54 44.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -103.08 -179.39 26.32 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.457 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -34.36 14.88 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.75 2.3 . . . . 0.0 112.304 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 28.1 t -80.17 154.56 27.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.842 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.5 m -93.03 120.02 32.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.934 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.506 -179.986 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.4 t -54.41 -55.06 32.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.823 0.344 . . . . 0.0 110.832 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 4' ' ' GLY . 2.1 t -66.4 114.1 5.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 -179.837 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 3' ' ' SER . . . -34.66 144.46 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.436 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 m -60.21 141.54 55.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.891 0.377 . . . . 0.0 110.841 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 m -98.89 107.75 20.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.799 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.99 57.76 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.469 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -85.7 -43.05 13.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.753 0.311 . . . . 0.0 110.936 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 79.8 mt-10 -121.74 127.47 50.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.95 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 33.2 mttm -100.12 118.99 37.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.969 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.489 ' CE1' ' CD ' ' A' ' 62' ' ' LYS . 3.9 m-85 -104.7 177.47 4.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.953 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.404 ' HB ' ' CG ' ' A' ' 61' ' ' LYS . 44.5 t -132.26 144.38 37.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.136 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.548 HG21 ' CD1' ' A' ' 27' ' ' PHE . 42.1 p -95.77 119.61 34.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.109 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.442 ' O ' ' NZ ' ' A' ' 29' ' ' LYS . 16.5 m -93.8 -9.24 9.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.5 ' HB2' ' CD2' ' A' ' 59' ' ' TYR . 45.7 mt-30 -146.86 142.99 17.74 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.608 0.718 . . . . 0.0 110.906 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 150.68 68.66 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.719 2.279 . . . . 0.0 112.343 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 45.8 t80 -132.17 142.52 49.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.5 m -113.06 110.21 20.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.123 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.8 p -61.79 110.69 1.6 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -112.75 26.41 10.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.878 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.461 ' HB2' ' CG ' ' A' ' 24' ' ' GLU . 3.3 m -152.04 157.03 41.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.927 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 56.4 pttt -61.29 -28.72 69.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -109.46 34.55 3.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.481 ' OE2' ' CZ3' ' A' ' 43' ' ' TRP . 31.8 mm-40 -123.82 141.72 51.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.879 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.424 ' CD1' ' HB3' ' A' ' 51' ' ' LYS . 14.6 tt -115.82 137.48 49.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.153 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -109.02 120.46 5.86 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.48 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.548 ' CD1' HG21 ' A' ' 13' ' ' THR . 4.0 p90 -122.04 159.66 26.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.891 0.377 . . . . 0.0 110.834 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -92.19 174.44 7.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.848 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.442 ' NZ ' ' O ' ' A' ' 14' ' ' VAL . 18.9 tttp -92.78 125.18 37.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.56 28.78 5.29 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.516 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 15.3 m -123.46 -175.82 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.868 0.366 . . . . 0.0 111.116 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.415 HG23 ' N ' ' A' ' 33' ' ' VAL . 52.3 m -119.8 140.19 51.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.126 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.415 ' N ' HG23 ' A' ' 32' ' ' THR . 27.6 m -131.62 -178.71 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -134.58 115.84 14.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.41 ' HA ' ' CG2' ' A' ' 46' ' ' ILE . 40.9 t -78.71 110.05 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.154 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 17.6 mt -84.58 -64.28 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.108 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 26.1 mmt180 -129.66 115.67 17.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.877 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.513 ' HB2' ' CE2' ' A' ' 44' ' ' TRP . 7.9 ptpp? -104.73 149.41 25.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 45.8 p30 -142.31 -176.88 5.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.849 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.501 ' O ' ' CD1' ' A' ' 40' ' ' LEU . 0.3 OUTLIER -91.86 -11.38 36.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 179.932 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 42' ' ' GLY . 54.1 mm-40 -81.71 46.74 1.0 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 41' ' ' GLU . . . 35.43 38.3 0.17 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.483 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.517 ' CZ3' ' HB3' ' A' ' 54' ' ' TRP . 34.3 m95 -139.76 105.68 5.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.737 0.304 . . . . 0.0 110.943 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.513 ' CE2' ' HB2' ' A' ' 38' ' ' LYS . 33.0 m0 -112.93 103.04 11.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.468 ' CE2' ' HB3' ' A' ' 52' ' ' GLU . 7.0 t80 -57.88 122.61 13.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.936 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.41 ' CG2' ' HA ' ' A' ' 35' ' ' VAL . 8.1 pt -136.0 168.49 22.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.142 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 28.3 ttp180 -125.79 121.15 32.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.433 ' CE1' ' HG ' ' A' ' 49' ' ' LEU . 13.2 t80 -131.7 126.68 35.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.958 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.433 ' HG ' ' CE1' ' A' ' 48' ' ' TYR . 13.1 mt 62.73 40.58 9.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.899 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 63.59 37.25 94.47 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.433 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.424 ' HB3' ' CD1' ' A' ' 25' ' ' ILE . 14.2 ttpt -143.8 122.19 12.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.794 0.331 . . . . 0.0 110.904 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.468 ' HB3' ' CE2' ' A' ' 45' ' ' TYR . 28.4 mt-10 -96.61 122.04 39.09 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.875 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -149.52 175.46 28.69 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.502 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.517 ' HB3' ' CZ3' ' A' ' 43' ' ' TRP . 30.8 m95 -86.35 133.9 33.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.78 0.324 . . . . 0.0 110.987 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -146.6 143.95 19.74 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.555 0.693 . . . . 0.0 111.128 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 124.9 11.53 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.677 2.251 . . . . 0.0 112.338 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.53 -27.28 62.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.182 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 41.5 t -55.71 -26.1 43.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.834 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.5 ' CD2' ' HB2' ' A' ' 15' ' ' GLN . 3.2 m-85 -99.51 23.36 9.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 22.8 mt -135.26 143.68 46.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.873 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.404 ' CG ' ' HB ' ' A' ' 12' ' ' VAL . 4.8 ptmm? -137.11 130.69 31.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.489 ' CD ' ' CE1' ' A' ' 11' ' ' TYR . 18.0 tptp -62.7 104.84 0.57 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -44.53 -51.5 8.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.074 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? 61.89 51.43 3.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.939 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -92.47 -54.49 3.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.907 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 8.0 t -92.15 115.94 28.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 124.35 74.84 0.26 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.453 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.71 -27.11 27.13 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.67 2.247 . . . . 0.0 112.411 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 21.9 m -83.44 126.39 32.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.2 m -124.61 91.74 3.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.802 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.483 179.955 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.9 m -58.22 -59.27 5.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.823 0.344 . . . . 0.0 110.879 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 m -83.98 169.83 14.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.4 -45.61 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.544 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -105.18 114.78 29.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.861 0.362 . . . . 0.0 110.869 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.6 m -45.62 104.19 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.895 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -100.99 154.14 19.16 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.508 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -88.23 -60.93 1.83 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.835 0.35 . . . . 0.0 110.86 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -150.09 132.84 15.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.537 ' CG ' ' CD ' ' A' ' 34' ' ' GLU . 17.2 mtmm -117.08 122.43 44.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.888 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -105.63 -178.89 3.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.96 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.436 HG11 ' N ' ' A' ' 13' ' ' THR . 40.4 t -126.82 143.28 40.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.149 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.447 HG23 ' CE1' ' A' ' 27' ' ' PHE . 32.3 p -92.0 132.54 36.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.13 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 28.9 m -107.27 -11.41 10.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.085 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -146.7 144.0 19.66 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.653 0.74 . . . . 0.0 110.884 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.69 140.4 42.84 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.688 2.259 . . . . 0.0 112.356 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -122.21 143.82 49.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 59.0 m -119.1 102.38 8.69 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.164 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 82.1 p -72.11 127.58 33.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 81.6 mm-40 -81.79 -36.88 27.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 16.8 m -125.04 168.32 13.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.942 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -55.88 -47.4 77.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -39.78 -40.69 0.99 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.829 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.9 mp0 -98.16 154.03 18.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 12.7 tt -121.52 136.24 59.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.113 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -103.72 129.5 9.89 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.478 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.447 ' CE1' HG23 ' A' ' 13' ' ' THR . 3.8 p90 -129.01 166.95 18.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.777 0.322 . . . . 0.0 110.95 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -95.23 162.76 13.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 24.0 tttm -80.89 116.09 20.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.945 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 114.03 32.27 2.07 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.499 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 15.5 m -128.4 177.41 6.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.883 0.373 . . . . 0.0 111.116 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.43 ' CG2' ' HD2' ' A' ' 10' ' ' LYS . 52.4 m -110.52 136.75 49.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.165 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 19.3 m -126.89 145.28 34.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.135 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.537 ' CD ' ' CG ' ' A' ' 10' ' ' LYS . 5.1 mm-40 -105.8 109.93 22.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.903 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.442 HG12 ' CE ' ' A' ' 38' ' ' LYS . 63.8 t -74.77 122.62 28.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.138 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.457 ' CD1' ' HG2' ' A' ' 52' ' ' GLU . 80.4 mt -93.67 -52.49 9.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.121 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.405 ' C ' ' HG2' ' A' ' 38' ' ' LYS . 95.9 mtt180 -121.37 171.55 8.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.852 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.56 ' HD2' ' CZ2' ' A' ' 44' ' ' TRP . 9.8 mmtp -140.92 105.17 4.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.437 ' CB ' ' O ' ' A' ' 43' ' ' TRP . 3.0 t-20 -84.64 -178.2 6.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.5 mp -120.37 -16.4 8.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.971 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -85.07 30.43 0.59 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 70.36 43.84 61.06 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.459 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.558 ' CE3' ' HB3' ' A' ' 54' ' ' TRP . 24.9 m95 -145.38 125.95 14.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.707 0.289 . . . . 0.0 110.934 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.56 ' CZ2' ' HD2' ' A' ' 38' ' ' LYS . 8.8 m0 -122.98 117.25 25.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.903 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -75.32 114.56 13.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.936 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 6.6 pt -123.1 169.31 14.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.088 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 50.1 ttt180 -125.13 129.41 50.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.942 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.526 ' CE2' HD13 ' A' ' 49' ' ' LEU . 19.7 t80 -142.68 133.01 24.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.949 -179.813 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.526 HD13 ' CE2' ' A' ' 48' ' ' TYR . 35.8 mt 61.21 33.51 19.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 71.48 28.21 69.97 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.452 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 19.1 mtmt -136.79 126.45 25.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.792 0.33 . . . . 0.0 110.881 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.457 ' HG2' ' CD1' ' A' ' 36' ' ' ILE . 4.4 mp0 -95.92 120.43 36.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.872 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -144.09 179.47 21.39 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.455 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.558 ' HB3' ' CE3' ' A' ' 43' ' ' TRP . 45.3 m95 -92.49 125.06 36.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.748 0.309 . . . . 0.0 110.909 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -128.54 144.23 51.33 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.575 0.702 . . . . 0.0 111.112 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 120.14 6.97 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.717 2.278 . . . . 0.0 112.298 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.66 -20.49 8.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.116 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.0 m -68.94 -24.02 64.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.882 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -97.77 17.85 17.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 12.9 mt -134.17 141.83 47.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.883 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.2 ptmt -131.13 133.4 45.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -57.91 115.81 3.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.855 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.14 175.19 0.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.047 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 65.9 mmtt -145.52 119.16 9.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -93.62 100.25 12.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 89.7 p -114.55 41.11 2.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.864 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -55.17 -83.37 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.449 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 85.46 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.603 2.202 . . . . 0.0 112.329 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 34.2 t -79.05 121.68 25.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 63.8 m -101.99 126.93 49.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.839 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.52 179.982 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 . . . . . 0 CA--C 1.527 0.066 0 CA-C-O 120.926 0.393 . . . . 0.0 110.808 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 27.1 mttp -87.01 119.58 27.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.914 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -108.92 173.61 6.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.956 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 31' ' ' VAL . 11.1 p -131.89 142.13 43.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.109 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 16.2 p -87.12 138.24 31.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.169 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.488 HG23 ' HG3' ' A' ' 15' ' ' GLN . 14.8 m -108.14 -7.6 10.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.115 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.502 ' HB2' ' CD2' ' A' ' 59' ' ' TYR . 60.1 mt-30 -152.21 146.31 18.36 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.643 0.735 . . . . 0.0 110.872 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.83 141.22 44.36 Favored 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.666 2.244 . . . . 0.0 112.37 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.418 ' CE1' ' HG3' ' A' ' 56' ' ' PRO . 62.2 t80 -129.55 130.25 45.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 88.6 m -101.85 116.34 32.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.095 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.1 p -77.64 130.84 37.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.816 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.6 mp0 -83.99 -36.43 23.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.989 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 64.3 m -135.59 164.88 26.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 23' ' ' ASP . 42.5 mtpt -49.45 -49.57 44.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.941 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 22' ' ' LYS . 10.6 m-20 -38.14 -37.09 0.25 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -104.81 149.58 25.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.944 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 9.9 tt -114.78 133.64 60.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.153 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -102.08 132.82 11.13 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.517 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -131.19 -178.03 4.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.844 0.354 . . . . 0.0 110.885 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -108.93 172.78 6.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 43.3 tttt -90.46 119.26 30.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 109.42 30.36 3.6 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.466 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.416 ' O ' HG23 ' A' ' 12' ' ' VAL . 9.4 m -123.62 166.75 18.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.966 0.412 . . . . 0.0 111.103 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 95.6 m -101.12 134.83 43.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.16 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 15.8 m -126.81 158.02 37.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.159 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -112.42 109.45 19.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 61.8 t -75.22 113.72 14.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.145 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.581 HD11 ' HB2' ' A' ' 47' ' ' ARG . 13.4 mt -94.35 -59.67 2.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.103 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 20.1 mmm180 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.985 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.523 ' HB3' ' CZ3' ' A' ' 54' ' ' TRP . 12.9 m95 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.785 0.326 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.466 ' CD1' ' HB2' ' A' ' 57' ' ' ALA . 11.7 m0 -118.43 106.25 12.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.898 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.549 ' CE2' ' HB3' ' A' ' 52' ' ' GLU . 3.4 t80 -64.54 115.41 5.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.944 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 7.1 pt -121.92 173.39 7.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.135 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.581 ' HB2' HD11 ' A' ' 36' ' ' ILE . 6.6 ttm105 -127.23 121.05 30.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.912 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.44 ' CZ ' ' HG ' ' A' ' 49' ' ' LEU . 38.1 t80 -144.1 144.97 31.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.44 ' HG ' ' CZ ' ' A' ' 48' ' ' TYR . 13.8 mt 54.51 34.75 21.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.924 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 62.51 36.31 92.99 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.451 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 25.6 mtpt -147.25 136.34 22.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.709 0.29 . . . . 0.0 110.867 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.549 ' HB3' ' CE2' ' A' ' 45' ' ' TYR . 39.1 mt-10 -101.85 126.2 48.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.864 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -147.59 179.91 24.12 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.51 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.523 ' CZ3' ' HB3' ' A' ' 43' ' ' TRP . 64.3 m95 -95.29 126.37 40.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.667 0.27 . . . . 0.0 110.942 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -133.01 145.74 58.29 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.577 0.703 . . . . 0.0 111.175 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.418 ' HG3' ' CE1' ' A' ' 17' ' ' TYR . 53.7 Cg_endo -69.76 121.78 8.47 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.701 2.268 . . . . 0.0 112.386 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.682 ' HA ' HD12 ' A' ' 60' ' ' LEU . . . -53.48 -24.12 12.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.077 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.1 m -59.55 -38.99 82.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.831 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.502 ' CD2' ' HB2' ' A' ' 15' ' ' GLN . 16.4 m-85 -89.43 29.31 1.13 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.682 HD12 ' HA ' ' A' ' 57' ' ' ALA . 9.7 mt -144.21 152.29 40.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.945 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 47.1 pttt -153.23 144.34 23.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 46.3 tttm -62.85 125.64 24.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.041 179.875 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.902 0.382 . . . . 0.0 110.834 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.8 mttp -97.56 118.1 33.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.977 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -110.5 170.41 8.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.963 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 14.2 p -127.43 147.64 32.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.167 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.574 HG22 HD23 ' A' ' 60' ' ' LEU . 77.3 p -94.39 134.51 36.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.081 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.6 m -103.78 -14.81 8.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.16 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 34.8 mm-40 -146.38 148.26 33.77 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.605 0.716 . . . . 0.0 110.859 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 151.46 69.19 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.688 2.259 . . . . 0.0 112.358 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -131.56 141.95 49.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 57.8 m -109.44 106.29 15.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.161 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.401 ' HB3' ' C ' ' A' ' 25' ' ' ILE . 27.9 p -74.54 117.15 16.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.832 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 97.9 mm-40 -74.09 -47.32 37.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.99 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 36.8 m -125.25 165.63 17.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' A' ' 23' ' ' ASP . 91.2 mttt -47.45 -54.35 11.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.848 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 22' ' ' LYS . 7.7 p-10 -35.82 -35.04 0.06 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.867 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 22' ' ' LYS . 19.3 mt-10 -103.12 146.45 28.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.865 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.401 ' C ' ' HB3' ' A' ' 19' ' ' SER . 16.1 tt -111.82 137.55 44.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.104 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -102.43 131.99 10.82 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.484 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.7 p90 -134.18 179.21 6.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.86 0.362 . . . . 0.0 110.851 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -112.09 173.72 6.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 28.8 tttm -89.51 115.07 26.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 114.3 34.44 1.61 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.487 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.9 m -130.38 161.65 39.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.855 0.36 . . . . 0.0 111.2 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 95.7 m -95.07 135.12 37.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.74 HG21 HD22 ' A' ' 60' ' ' LEU . 28.7 m -126.78 155.7 37.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.172 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.0 mp0 -113.36 107.14 15.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.949 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.643 ' HA ' HG22 ' A' ' 46' ' ' ILE . 85.0 t -73.37 106.54 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.172 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.701 HG22 ' HG3' ' A' ' 37' ' ' ARG . 66.5 mt -76.3 -61.74 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.11 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.701 ' HG3' HG22 ' A' ' 36' ' ' ILE . 65.6 mtt180 . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.876 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.525 ' HB3' ' CZ3' ' A' ' 54' ' ' TRP . 9.8 m95 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.669 0.271 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 13.6 m0 -118.68 108.9 15.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.945 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.528 ' CE2' ' HB3' ' A' ' 52' ' ' GLU . 3.0 t80 -68.4 116.16 8.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.643 HG22 ' HA ' ' A' ' 35' ' ' VAL . 8.1 pt -122.76 171.96 10.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.128 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.414 ' NH1' ' HB2' ' A' ' 47' ' ' ARG . 16.7 ttm105 -123.18 126.74 47.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.839 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -147.16 134.53 20.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.969 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 18.6 mt 61.23 39.67 15.46 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.923 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 60.2 35.45 87.95 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.474 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.4 135.37 22.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.769 0.319 . . . . 0.0 110.902 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.528 ' HB3' ' CE2' ' A' ' 45' ' ' TYR . 2.2 mp0 -102.3 123.83 46.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -146.45 -179.17 22.41 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.426 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.525 ' CZ3' ' HB3' ' A' ' 43' ' ' TRP . 60.9 m95 -91.17 137.52 32.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.741 0.305 . . . . 0.0 110.923 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -147.05 144.12 19.32 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.528 0.68 . . . . 0.0 111.159 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.85 126.77 13.64 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.672 2.248 . . . . 0.0 112.328 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.04 -21.33 30.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.121 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 14.9 m -63.15 -29.58 70.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.848 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -95.54 17.41 14.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.932 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.74 HD22 HG21 ' A' ' 33' ' ' VAL . 11.7 mt -139.35 141.65 37.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.93 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 18.0 pttp -142.4 138.1 30.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.83 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 11.8 tttp -55.28 124.84 18.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.92 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.077 179.822 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.93 0.395 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.43 ' HD2' HG21 ' A' ' 32' ' ' THR . 4.3 mtmp? -108.4 120.17 41.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.525 ' CD2' ' C ' ' A' ' 61' ' ' LYS . 6.2 m-85 -106.07 -177.82 3.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.857 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.648 HG23 ' HB2' ' A' ' 63' ' ' ALA . 61.6 t -131.96 146.83 32.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.146 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 43.9 p -94.7 117.36 30.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.119 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.552 HG23 ' HG3' ' A' ' 15' ' ' GLN . 23.8 m -91.69 -6.02 10.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.17 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.552 ' HG3' HG23 ' A' ' 14' ' ' VAL . 40.0 mt-30 -157.19 144.01 13.38 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.654 0.74 . . . . 0.0 110.903 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.68 147.48 63.47 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.692 2.261 . . . . 0.0 112.392 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -127.69 136.33 51.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.942 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 25.6 m -108.68 102.52 11.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.184 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.9 p -75.16 125.2 28.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.855 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 10.5 mp0 -91.68 -25.5 19.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.872 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 33.4 p -119.77 161.28 21.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.837 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -63.99 -40.29 96.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.956 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -53.38 -24.36 12.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -107.05 154.67 20.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 15.5 tt -121.58 141.63 41.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.139 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -107.47 129.7 9.78 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.486 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.602 ' CE2' HD11 ' A' ' 46' ' ' ILE . 2.8 p90 -127.98 167.0 17.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.836 0.351 . . . . 0.0 110.901 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -98.61 174.82 6.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 51.3 tttt -94.0 120.98 35.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 111.06 32.33 2.64 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.531 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 17.3 m -130.3 -177.07 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.908 0.385 . . . . 0.0 111.121 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.43 HG21 ' HD2' ' A' ' 10' ' ' LYS . 98.8 m -118.49 137.28 53.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.184 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.438 HG21 HD22 ' A' ' 60' ' ' LEU . 27.7 m -126.15 152.3 33.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.125 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.8 mp0 -107.38 109.32 21.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.942 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 80.2 t -72.64 114.57 11.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.16 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.509 HD11 ' HB2' ' A' ' 47' ' ' ARG . 22.5 mt -88.06 -59.71 2.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.096 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.438 ' HG2' HG22 ' A' ' 36' ' ' ILE . 3.6 mmp_? . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.838 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.534 ' HB3' ' CZ3' ' A' ' 54' ' ' TRP . 7.7 m95 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.778 0.323 . . . . 0.0 110.968 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 9.0 m0 -121.72 105.08 10.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.427 ' CE2' ' HB3' ' A' ' 52' ' ' GLU . 3.2 t80 -62.95 104.93 0.61 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.904 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.602 HD11 ' CE2' ' A' ' 27' ' ' PHE . 12.5 pt -114.74 161.82 13.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.156 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.509 ' HB2' HD11 ' A' ' 36' ' ' ILE . 22.5 ttp180 -120.99 125.62 47.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.591 ' CE2' HD12 ' A' ' 49' ' ' LEU . 17.9 t80 -139.57 131.68 28.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.949 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.591 HD12 ' CE2' ' A' ' 48' ' ' TYR . 21.0 mt 60.62 40.99 15.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 61.31 36.58 92.67 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.479 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.9 mmmt -142.78 130.56 21.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.785 0.326 . . . . 0.0 110.915 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.427 ' HB3' ' CE2' ' A' ' 45' ' ' TYR . 51.4 mt-10 -99.71 126.2 45.71 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -151.77 170.64 31.23 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.47 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.534 ' CZ3' ' HB3' ' A' ' 43' ' ' TRP . 65.7 m95 -88.76 126.28 35.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.824 0.345 . . . . 0.0 110.904 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -132.81 144.36 52.57 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.58 0.705 . . . . 0.0 111.124 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 124.62 11.29 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.712 2.275 . . . . 0.0 112.342 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -53.5 -21.81 7.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.118 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 16.9 t -63.51 -29.48 70.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.844 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -95.52 15.7 19.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.93 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.438 HD22 HG21 ' A' ' 33' ' ' VAL . 13.1 mt -133.86 136.66 44.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.942 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.525 ' C ' ' CD2' ' A' ' 11' ' ' TYR . 4.0 ptmm? -124.87 144.46 50.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.489 ' HG2' ' CZ ' ' A' ' 11' ' ' TYR . 3.2 tmtp? -69.31 106.8 3.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.867 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.648 ' HB2' HG23 ' A' ' 12' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.15 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.952 0.406 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 29.4 mttm -104.16 124.13 48.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.431 ' CD2' ' C ' ' A' ' 61' ' ' LYS . 7.6 m-85 -110.74 165.84 11.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.86 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 15.0 p -127.87 144.59 37.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.158 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 67.5 p -85.99 136.65 33.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.1 m -107.26 -15.37 9.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.125 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 28.7 mm100 -149.09 147.67 24.55 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.609 0.719 . . . . 0.0 110.919 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 141.08 44.29 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.639 2.226 . . . . 0.0 112.333 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 37.8 t80 -130.07 146.77 51.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.918 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 90.8 m -122.63 105.26 9.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.099 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 97.1 p -63.45 132.1 50.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 15.6 mp0 -77.95 -39.0 44.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.956 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.9 m -130.56 177.36 7.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.821 -179.713 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.0 pttp -61.56 -37.03 82.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.59 -33.62 15.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.883 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -106.99 154.35 21.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 13.2 tt -117.88 133.21 65.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.115 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -102.79 132.47 11.02 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.487 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.565 ' HE2' HD11 ' A' ' 46' ' ' ILE . 1.1 p90 -133.61 -179.95 5.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.832 0.349 . . . . 0.0 110.851 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -101.39 176.81 5.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.864 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 28.4 tttt -96.44 118.14 32.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 114.88 26.73 3.47 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.498 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.0 m -123.14 162.11 23.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.948 0.404 . . . . 0.0 111.116 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 84.8 m -96.35 136.61 36.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.166 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.8 HG21 HD22 ' A' ' 60' ' ' LEU . 19.6 m -129.81 155.61 41.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.061 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -112.07 126.28 55.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.614 ' HA ' HG22 ' A' ' 46' ' ' ILE . 22.1 t -89.51 108.04 18.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.085 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.426 HG22 ' HG3' ' A' ' 37' ' ' ARG . 93.1 mt -77.19 -65.38 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.169 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.426 ' HG3' HG22 ' A' ' 36' ' ' ILE . 40.1 mtt180 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.81 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 41.0 m95 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.8 0.333 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.671 ' O ' HG23 ' A' ' 46' ' ' ILE . 7.1 m0 -116.41 104.52 11.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.91 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.576 ' CE2' ' HB3' ' A' ' 52' ' ' GLU . 12.0 t80 -51.48 110.53 0.46 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.915 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.671 HG23 ' O ' ' A' ' 44' ' ' TRP . 8.0 pt -116.33 170.76 5.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.089 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 51.6 ttp180 -131.11 127.97 39.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.814 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.63 ' CE2' HD12 ' A' ' 49' ' ' LEU . 19.1 t80 -141.07 135.86 31.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.882 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.63 HD12 ' CE2' ' A' ' 48' ' ' TYR . 12.7 mt 60.64 32.29 20.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.987 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 72.12 21.16 79.29 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.448 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.64 125.56 36.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.761 0.315 . . . . 0.0 110.919 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.576 ' HB3' ' CE2' ' A' ' 45' ' ' TYR . 3.1 mp0 -97.75 126.71 43.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.948 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -155.03 175.97 32.86 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.483 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 61.9 m95 -85.28 124.83 32.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.773 0.32 . . . . 0.0 110.898 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -130.74 146.87 63.81 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.569 0.7 . . . . 0.0 111.103 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 123.98 10.64 Favored 'Trans proline' 0 N--CA 1.466 -0.133 0 C-N-CA 122.73 2.287 . . . . 0.0 112.337 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.601 ' HB1' ' CH2' ' A' ' 44' ' ' TRP . . . -56.95 -24.53 53.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.062 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.0 m -61.74 -36.72 81.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.905 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.428 ' O ' HD23 ' A' ' 60' ' ' LEU . 68.1 m-85 -89.66 26.2 1.81 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.956 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.8 HD22 HG21 ' A' ' 33' ' ' VAL . 10.1 mt -146.32 138.95 25.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.938 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.431 ' C ' ' CD2' ' A' ' 11' ' ' TYR . 18.5 ptmt -140.22 138.04 34.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.17 111.09 0.7 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.839 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.062 179.857 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.898 0.38 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.916 ' HE2' HG21 ' A' ' 32' ' ' THR . 33.8 mtpt -76.69 112.79 13.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -100.79 173.61 6.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 63.0 t -123.98 136.82 59.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.155 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.511 HG22 HD23 ' A' ' 60' ' ' LEU . 43.1 p -90.17 117.24 28.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.626 HG23 ' HG3' ' A' ' 15' ' ' GLN . 16.8 m -87.38 -8.97 11.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.141 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.626 ' HG3' HG23 ' A' ' 14' ' ' VAL . 33.1 mt-30 -150.33 144.08 17.13 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.565 0.698 . . . . 0.0 110.917 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 151.12 68.82 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.661 2.241 . . . . 0.0 112.346 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -132.91 138.39 46.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 58.1 m -105.82 116.3 31.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.124 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.422 ' HB3' ' C ' ' A' ' 25' ' ' ILE . 22.3 p -76.58 119.36 20.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.811 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 96.1 mm-40 -83.86 -31.2 25.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.872 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 31.1 m -143.37 160.1 41.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.847 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 43.8 tttm -46.61 -41.59 14.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.877 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -48.78 -35.71 14.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.902 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -106.86 145.13 32.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.461 HD11 ' HB3' ' A' ' 51' ' ' LYS . 16.3 tt -107.28 144.56 15.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.092 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -108.06 131.09 10.42 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.426 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 1.8 p90 -134.34 170.64 15.43 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.787 0.327 . . . . 0.0 110.83 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -103.67 178.56 4.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.837 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 59.5 tttt -94.7 122.98 37.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 106.28 35.67 2.86 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.469 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 16.2 m -132.42 173.88 14.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.916 0.389 . . . . 0.0 111.082 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.916 HG21 ' HE2' ' A' ' 10' ' ' LYS . 78.6 m -109.67 133.85 52.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.159 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.745 HG21 HD22 ' A' ' 60' ' ' LEU . 30.9 m -123.79 141.91 42.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.092 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -99.36 113.5 25.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.915 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.584 HG22 HG22 ' A' ' 46' ' ' ILE . 74.8 t -79.93 114.36 20.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.156 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.429 HG22 ' HD2' ' A' ' 37' ' ' ARG . 18.9 mt -83.81 -60.94 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.186 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.429 ' HD2' HG22 ' A' ' 36' ' ' ILE . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.426 ' HB3' ' CZ3' ' A' ' 54' ' ' TRP . 31.3 m95 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.779 0.323 . . . . 0.0 110.974 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 9.1 m0 -121.31 107.49 12.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.957 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -68.1 115.46 7.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.967 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.584 HG22 HG22 ' A' ' 35' ' ' VAL . 34.0 pt -123.18 168.21 15.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.14 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 30.6 ttt180 -123.92 123.92 41.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.881 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.574 ' CE1' ' HG ' ' A' ' 49' ' ' LEU . 23.9 t80 -137.66 130.08 29.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.888 -179.8 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.574 ' HG ' ' CE1' ' A' ' 48' ' ' TYR . 53.7 mt 60.24 42.15 15.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.944 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 63.27 27.88 71.36 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.495 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.461 ' HB3' HD11 ' A' ' 25' ' ' ILE . 14.2 ttmm -133.25 130.85 39.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.779 0.323 . . . . 0.0 110.902 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.409 ' N ' ' OE1' ' A' ' 52' ' ' GLU . 2.6 mp0 -106.13 120.44 41.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -146.1 -175.35 19.06 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.45 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.426 ' CZ3' ' HB3' ' A' ' 43' ' ' TRP . 38.8 m95 -97.21 133.01 42.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.72 0.295 . . . . 0.0 110.988 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -144.28 147.0 35.43 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.614 0.721 . . . . 0.0 111.046 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 126.52 13.42 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.734 2.29 . . . . 0.0 112.337 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.58 -12.59 10.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.097 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.8 m -68.58 -26.67 65.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -97.24 20.61 11.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.925 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.745 HD22 HG21 ' A' ' 33' ' ' VAL . 19.0 mt -136.31 138.85 42.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.914 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.426 ' HD3' ' CG1' ' A' ' 14' ' ' VAL . 53.4 pttt -131.45 135.82 47.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 179.785 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.58 114.24 3.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.941 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.131 179.834 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.867 0.365 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 23.8 mttp -85.77 113.48 21.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.932 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -107.91 163.77 12.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.985 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 85.2 t -119.59 142.56 34.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.115 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.495 HG22 HD23 ' A' ' 60' ' ' LEU . 30.6 p -90.79 145.42 24.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.418 HG23 ' HG3' ' A' ' 15' ' ' GLN . 4.4 m -116.48 -4.88 11.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.114 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.418 ' HG3' HG23 ' A' ' 14' ' ' VAL . 63.4 mt-30 -155.33 144.01 14.75 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.657 0.742 . . . . 0.0 110.955 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 134.53 28.22 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.709 2.273 . . . . 0.0 112.279 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -117.61 129.62 55.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 91.3 m -100.04 103.3 14.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.186 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.419 ' HB3' ' N ' ' A' ' 26' ' ' GLY . 51.7 p -60.79 140.48 57.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.817 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -101.74 -31.84 10.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.91 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.1 t -139.57 159.6 41.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 34.6 mtmt -48.64 -40.29 27.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.902 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -49.39 -42.76 43.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.877 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.7 mp0 -99.52 147.95 24.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.426 HD11 ' HB3' ' A' ' 51' ' ' LYS . 12.3 tt -113.15 140.0 35.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.113 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.419 ' N ' ' HB3' ' A' ' 19' ' ' SER . . . -105.41 129.24 9.72 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.503 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 2.6 p90 -126.75 169.43 13.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.833 0.349 . . . . 0.0 110.852 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -96.0 179.0 5.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.894 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.3 tttp -98.23 121.15 39.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.927 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.66 26.6 6.08 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.495 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 15.3 m -121.45 175.81 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.847 0.355 . . . . 0.0 111.167 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 95.3 m -107.61 139.41 42.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.106 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.617 HG21 HD22 ' A' ' 60' ' ' LEU . 16.9 m -131.79 152.03 36.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.166 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -107.66 116.56 32.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.929 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.714 HG22 HG22 ' A' ' 46' ' ' ILE . 92.7 t -86.9 117.41 31.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.136 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.462 ' CD1' ' HG2' ' A' ' 52' ' ' GLU . 32.6 mt -92.73 -54.45 7.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.141 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 36.1 mtp180 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 179.945 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.54 ' CZ3' ' HB3' ' A' ' 54' ' ' TRP . 21.9 m95 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.789 0.328 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 8.6 m0 -122.48 109.42 14.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.926 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -66.95 115.25 6.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.003 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.714 HG22 HG22 ' A' ' 35' ' ' VAL . 22.6 pt -126.93 169.67 18.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.101 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 20.6 ttt180 -128.06 125.9 40.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.819 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.523 ' CE1' ' HG ' ' A' ' 49' ' ' LEU . 17.1 t80 -136.14 132.13 35.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.923 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.523 ' HG ' ' CE1' ' A' ' 48' ' ' TYR . 19.8 mt 60.19 35.52 21.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.843 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 69.19 34.88 76.29 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.519 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.426 ' HB3' HD11 ' A' ' 25' ' ' ILE . 16.4 ttpt -141.9 124.72 16.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.687 0.28 . . . . 0.0 110.878 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.462 ' HG2' ' CD1' ' A' ' 36' ' ' ILE . 66.1 mt-10 -95.96 121.72 38.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.928 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -147.31 -178.14 22.36 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.48 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.54 ' HB3' ' CZ3' ' A' ' 43' ' ' TRP . 59.2 m95 -92.55 134.05 35.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.793 0.33 . . . . 0.0 110.904 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -143.28 144.16 27.24 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.557 0.694 . . . . 0.0 111.079 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.409 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 53.3 Cg_endo -69.79 126.6 13.48 Favored 'Trans proline' 0 N--CA 1.466 -0.146 0 C-N-CA 122.704 2.269 . . . . 0.0 112.334 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.53 -9.96 6.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.108 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 13.7 t -76.43 -22.43 54.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.409 ' CD1' ' HG2' ' A' ' 56' ' ' PRO . 22.8 m-85 -98.85 15.22 26.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.949 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.617 HD22 HG21 ' A' ' 33' ' ' VAL . 9.5 mt -133.54 146.34 50.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.931 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.2 pttp -134.12 134.59 42.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 9.6 tmtt? -60.02 121.15 11.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.927 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.139 179.816 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 69.8 mt-10 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.881 0.372 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 48.1 mttt -79.25 115.83 19.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.563 ' CE1' ' HD2' ' A' ' 62' ' ' LYS . 3.5 m-85 -104.77 -178.44 3.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.863 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 24.1 t -136.18 139.08 46.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.129 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.602 HG22 HD23 ' A' ' 60' ' ' LEU . 35.2 p -89.51 121.37 31.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.095 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.6 m -92.34 -10.89 9.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.109 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -144.47 146.35 32.3 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.562 0.696 . . . . 0.0 110.899 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 153.85 68.55 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.631 2.221 . . . . 0.0 112.361 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -133.8 124.63 26.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.944 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 41.0 m -93.22 110.85 22.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.151 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 30.1 p -85.02 154.77 21.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -129.77 -33.29 1.83 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 42.5 t -130.76 149.76 52.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.054 0.454 . . . . 0.0 110.814 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 11.0 tppt? -41.18 -45.15 2.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.955 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.11 -44.05 10.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.829 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 75.5 mt-10 -99.26 150.55 21.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 15.4 tt -120.86 140.94 43.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.175 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -108.42 129.39 9.55 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.498 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.589 ' CE2' HD11 ' A' ' 46' ' ' ILE . 2.7 p90 -133.91 157.94 44.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.782 0.325 . . . . 0.0 110.938 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.41 ' O ' HG22 ' A' ' 31' ' ' VAL . 14.0 mt-10 -87.15 168.9 12.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.2 tttm -87.91 118.48 27.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 111.39 29.27 3.48 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.538 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.41 HG22 ' O ' ' A' ' 28' ' ' GLU . 16.3 m -121.93 173.54 7.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.887 0.375 . . . . 0.0 111.134 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 89.5 m -106.5 138.7 42.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.185 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.602 HG21 HD22 ' A' ' 60' ' ' LEU . 24.9 m -135.76 150.27 28.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.137 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -104.15 115.65 30.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 98.2 t -79.2 100.86 4.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 52.2 mt -72.5 -52.13 25.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.131 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 55.9 mtm-85 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.942 179.95 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.502 ' HB3' ' CZ3' ' A' ' 54' ' ' TRP . 18.1 m95 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.771 0.319 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.439 ' O ' HG23 ' A' ' 46' ' ' ILE . 7.7 m0 -122.31 102.85 8.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.878 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -61.87 118.57 7.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.961 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.589 HD11 ' CE2' ' A' ' 27' ' ' PHE . 19.9 pt -127.78 168.88 20.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.148 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 22.8 ttp180 -128.79 119.93 25.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.534 ' CE1' ' HG ' ' A' ' 49' ' ' LEU . 14.7 t80 -132.94 132.48 42.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.534 ' HG ' ' CE1' ' A' ' 48' ' ' TYR . 11.8 mt 59.08 41.87 19.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.928 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 61.21 38.78 96.2 Favored Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.513 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 26.5 ttmt -147.02 129.0 15.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.773 0.32 . . . . 0.0 110.929 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.7 mp0 -98.74 128.41 44.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -150.91 174.95 30.09 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.463 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.502 ' CZ3' ' HB3' ' A' ' 43' ' ' TRP . 44.4 m95 -90.31 126.75 35.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.784 0.326 . . . . 0.0 110.963 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -138.37 144.65 43.67 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.541 0.686 . . . . 0.0 111.125 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 125.91 12.69 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.661 2.241 . . . . 0.0 112.386 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.4 -27.06 9.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.075 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 73.5 m -60.1 -30.99 69.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.816 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.604 ' O ' HD23 ' A' ' 60' ' ' LEU . 4.7 m-85 -93.98 25.13 3.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.93 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.604 HD23 ' O ' ' A' ' 59' ' ' TYR . 8.0 mt -147.73 141.08 25.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.934 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 31.1 pttt -142.1 130.62 22.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.914 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.563 ' HD2' ' CE1' ' A' ' 11' ' ' TYR . 12.7 tptm -51.4 113.32 0.93 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.125 179.848 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.886 0.374 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 54.7 mttp -107.55 120.31 41.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.947 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.471 ' CD2' ' N ' ' A' ' 62' ' ' LYS . 5.9 m-85 -105.65 -177.79 3.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.946 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.462 HG23 ' HB2' ' A' ' 63' ' ' ALA . 54.4 t -132.15 142.69 42.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.111 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.463 HG22 HD23 ' A' ' 60' ' ' LEU . 57.1 p -94.87 120.28 34.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.126 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.416 ' CG1' ' HD3' ' A' ' 61' ' ' LYS . 13.6 m -88.38 -15.11 9.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.138 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 20.1 mm100 -148.48 146.92 23.76 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.622 0.725 . . . . 0.0 110.893 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 152.7 69.32 Favored 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 122.662 2.241 . . . . 0.0 112.428 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -128.85 149.45 50.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.009 0.433 . . . . 0.0 110.909 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 94.6 m -117.97 104.69 11.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.129 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.413 ' HB3' ' C ' ' A' ' 25' ' ' ILE . 87.8 p -76.72 117.23 18.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.816 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 15.7 mp0 -74.66 -41.8 59.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.948 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 47.3 m -121.22 165.43 15.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.0 pttt -56.83 -28.79 62.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.861 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.06 -39.1 68.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.866 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -99.63 164.1 12.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.893 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.413 ' C ' ' HB3' ' A' ' 19' ' ' SER . 15.1 tt -124.83 140.49 47.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.126 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -107.66 119.96 5.95 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.448 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.639 ' CE2' HD11 ' A' ' 46' ' ' ILE . 3.5 p90 -123.93 168.2 13.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.794 0.331 . . . . 0.0 110.918 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -100.15 173.4 6.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 29.7 tttm -89.18 124.38 34.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.66 37.17 2.64 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.482 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.5 m -133.59 174.87 12.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.877 0.37 . . . . 0.0 111.167 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 60.9 m -109.41 133.48 53.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.114 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.535 HG21 HD22 ' A' ' 60' ' ' LEU . 35.9 m -127.72 141.84 45.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 -98.01 112.22 24.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.891 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.572 ' HA ' HG22 ' A' ' 46' ' ' ILE . 64.2 t -78.37 108.49 11.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.119 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.489 HG22 ' HG2' ' A' ' 37' ' ' ARG . 59.4 mt -75.97 -62.85 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.092 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.489 ' HG2' HG22 ' A' ' 36' ' ' ILE . 36.6 mmt180 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.407 ' CZ3' ' HB3' ' A' ' 54' ' ' TRP . 16.8 m95 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.843 0.354 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 7.6 m0 -125.53 110.01 13.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.941 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.409 ' CE2' ' HB3' ' A' ' 52' ' ' GLU . 2.5 t80 -69.5 121.95 18.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.864 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.639 HD11 ' CE2' ' A' ' 27' ' ' PHE . 23.3 pt -132.0 161.59 41.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.146 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 45.4 ttt180 -118.3 122.53 43.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.878 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.491 ' CZ ' ' HG ' ' A' ' 49' ' ' LEU . 27.6 t80 -136.19 132.13 35.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.926 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.491 ' HG ' ' CZ ' ' A' ' 48' ' ' TYR . 76.3 mt 59.96 39.15 20.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.928 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 62.42 33.17 85.5 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.463 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 20.2 ttmt -139.38 131.65 28.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.747 0.308 . . . . 0.0 110.9 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.409 ' HB3' ' CE2' ' A' ' 45' ' ' TYR . 20.4 mt-10 -96.73 131.12 43.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.898 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -157.78 169.35 34.56 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.484 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.407 ' HB3' ' CZ3' ' A' ' 43' ' ' TRP . 42.4 m95 -86.14 122.27 29.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.796 0.331 . . . . 0.0 110.959 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -124.91 144.14 46.03 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.575 0.702 . . . . 0.0 111.07 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 125.87 12.61 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.689 2.259 . . . . 0.0 112.315 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.47 -18.61 11.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.083 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 72.5 m -69.9 -35.56 74.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.791 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -90.09 21.54 3.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.906 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.535 HD22 HG21 ' A' ' 33' ' ' VAL . 11.1 mt -139.39 136.01 34.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.96 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.464 ' C ' ' CD2' ' A' ' 11' ' ' TYR . 61.2 pttt -133.81 133.89 42.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.908 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.471 ' N ' ' CD2' ' A' ' 11' ' ' TYR . 21.1 tttt -51.12 124.88 12.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.462 ' HB2' HG23 ' A' ' 12' ' ' VAL . . . . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.077 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.1 mp0 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.944 0.402 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 34.8 mttt -82.38 112.41 19.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.82 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.579 ' CE1' ' HD2' ' A' ' 62' ' ' LYS . 4.1 m-85 -107.36 174.41 5.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.971 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.2 p -133.4 152.53 35.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.09 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.54 HG21 ' CD1' ' A' ' 27' ' ' PHE . 42.9 p -98.35 115.17 27.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.095 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.623 HG23 ' HG3' ' A' ' 15' ' ' GLN . 20.4 m -87.04 -7.51 10.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.151 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.623 ' HG3' HG23 ' A' ' 14' ' ' VAL . 37.3 mt-30 -151.83 145.85 18.13 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.591 0.71 . . . . 0.0 110.897 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 150.8 68.16 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.625 2.217 . . . . 0.0 112.353 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -133.31 149.13 51.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 73.8 m -114.43 116.59 29.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.12 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.464 ' HB3' ' N ' ' A' ' 26' ' ' GLY . 79.0 p -79.0 125.29 29.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.858 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 16.6 mp0 -83.46 -41.39 18.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.912 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.7 m -135.49 167.74 20.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.841 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.429 ' HG3' ' N ' ' A' ' 23' ' ' ASP . 9.9 ptpp? -48.65 -41.58 31.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.928 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.429 ' N ' ' HG3' ' A' ' 22' ' ' LYS . 0.7 OUTLIER -45.09 -43.06 9.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.914 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -100.06 157.68 16.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 14.8 tt -123.24 134.96 64.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.096 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.464 ' N ' ' HB3' ' A' ' 19' ' ' SER . . . -98.33 130.51 10.25 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.538 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.54 ' CD1' HG21 ' A' ' 13' ' ' THR . 3.4 p90 -130.36 178.55 6.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.791 0.329 . . . . 0.0 110.899 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.458 ' O ' HG22 ' A' ' 31' ' ' VAL . 8.3 pt-20 -110.16 170.34 8.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.865 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 57.7 tttt -86.98 123.76 32.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.95 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.0 35.7 3.12 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.467 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.458 HG22 ' O ' ' A' ' 28' ' ' GLU . 4.9 m -132.16 160.69 42.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.833 0.349 . . . . 0.0 111.13 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 91.2 m -91.74 143.5 26.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.166 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 31.1 m -135.64 152.78 31.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.208 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 21.2 mp0 -109.58 108.4 18.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.861 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 63.2 t -75.31 103.09 2.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.112 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.616 HG22 ' HG2' ' A' ' 37' ' ' ARG . 56.5 mt -74.1 -63.7 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.165 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.616 ' HG2' HG22 ' A' ' 36' ' ' ILE . 41.3 mmm-85 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 9.9 m95 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.735 0.302 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 9.1 m0 -116.39 108.0 15.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.959 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.562 ' CE2' ' HB3' ' A' ' 52' ' ' GLU . 3.0 t80 -67.35 114.35 5.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.973 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 7.2 pt -120.81 163.75 18.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.09 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.509 ' HB2' HD11 ' A' ' 36' ' ' ILE . 45.3 ttt85 -123.55 119.99 31.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.859 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.493 ' CE1' ' HG ' ' A' ' 49' ' ' LEU . 24.5 t80 -131.81 129.19 40.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 -179.825 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.493 ' HG ' ' CE1' ' A' ' 48' ' ' TYR . 77.9 mt 61.38 37.85 16.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.961 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 67.81 22.58 73.82 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.507 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 42.8 mmtt -127.1 134.62 50.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.806 0.336 . . . . 0.0 110.875 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.562 ' HB3' ' CE2' ' A' ' 45' ' ' TYR . 31.8 mt-10 -103.98 128.53 51.53 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.87 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -152.14 174.66 31.08 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.488 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 16.3 m95 -92.67 119.77 32.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.761 0.315 . . . . 0.0 110.946 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -125.79 144.66 49.09 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.608 0.718 . . . . 0.0 111.075 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 117.94 5.38 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.625 2.216 . . . . 0.0 112.339 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.505 ' HA ' HD12 ' A' ' 60' ' ' LEU . . . -49.09 -20.91 0.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.105 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 67.8 m -61.33 -41.01 96.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.569 ' CD2' ' HB2' ' A' ' 15' ' ' GLN . 2.6 m-85 -90.97 26.66 2.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.946 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.505 HD12 ' HA ' ' A' ' 57' ' ' ALA . 15.4 mt -139.95 144.66 37.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.855 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.5 ptmt -152.88 135.73 15.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.579 ' HD2' ' CE1' ' A' ' 11' ' ' TYR . 12.9 tptm -52.85 119.82 5.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.127 179.814 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.897 0.38 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 49.5 mttt -88.98 121.16 31.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.54 ' CD1' HG21 ' A' ' 35' ' ' VAL . 10.9 m-85 -106.85 166.8 10.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 79.9 t -124.71 138.73 53.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.101 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.545 HG22 HD23 ' A' ' 60' ' ' LEU . 19.3 p -87.55 142.63 27.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.5 m -114.64 -6.08 11.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.06 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 93.4 mm-40 -155.49 143.98 14.62 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.56 0.695 . . . . 0.0 110.991 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 128.89 16.71 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.718 2.279 . . . . 0.0 112.323 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.424 ' CE1' ' HG3' ' A' ' 56' ' ' PRO . 62.5 t80 -109.55 133.02 53.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.967 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 90.0 m -105.39 98.85 8.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.172 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.424 ' HB3' ' C ' ' A' ' 25' ' ' ILE . 21.4 p -81.43 124.61 29.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.875 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -112.38 27.24 9.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.876 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.1 p -150.45 133.52 16.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.897 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.1 ptpt -50.5 -39.2 47.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.935 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.45 -28.94 69.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -101.98 164.6 11.63 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.424 ' C ' ' HB3' ' A' ' 19' ' ' SER . 13.1 tt -130.45 144.36 38.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.082 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -111.51 136.25 13.43 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.482 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.2 p90 -130.93 177.7 7.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.783 0.325 . . . . 0.0 110.92 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.618 ' O ' HG22 ' A' ' 31' ' ' VAL . 30.7 mt-10 -108.96 165.37 11.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 42.1 tttt -83.32 129.34 34.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 99.33 25.8 9.18 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.502 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.618 HG22 ' O ' ' A' ' 28' ' ' GLU . 26.1 m -120.71 -177.77 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.979 0.418 . . . . 0.0 111.118 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.4 m -115.0 142.15 47.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.162 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.769 HG21 HD22 ' A' ' 60' ' ' LEU . 36.0 m -133.81 160.72 41.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.143 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -119.43 115.67 24.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.91 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.54 HG21 ' CD1' ' A' ' 11' ' ' TYR . 42.1 t -81.64 107.87 14.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.094 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.448 HG22 ' HG2' ' A' ' 37' ' ' ARG . 77.2 mt -76.62 -67.85 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.106 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.448 ' HG2' HG22 ' A' ' 36' ' ' ILE . 17.7 mmt180 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.827 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 56.3 m95 . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.714 0.292 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.633 ' O ' HG23 ' A' ' 46' ' ' ILE . 8.2 m0 -117.8 107.86 14.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.407 ' CE2' ' HB3' ' A' ' 52' ' ' GLU . 12.3 t80 -55.47 105.9 0.21 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.633 HG23 ' O ' ' A' ' 44' ' ' TRP . 7.1 pt -107.08 175.61 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.173 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 12.2 ttm180 -133.22 131.68 40.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.899 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.462 ' CZ ' ' HG ' ' A' ' 49' ' ' LEU . 26.3 t80 -150.28 147.62 27.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.962 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.462 ' HG ' ' CZ ' ' A' ' 48' ' ' TYR . 11.3 mt 53.62 40.26 31.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.928 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 60.05 32.95 77.31 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.414 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.412 ' O ' ' CD1' ' A' ' 25' ' ' ILE . 39.7 mtmt -149.39 129.32 13.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.784 0.326 . . . . 0.0 110.873 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.407 ' HB3' ' CE2' ' A' ' 45' ' ' TYR . 5.5 mt-10 -96.16 140.77 30.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -163.64 178.27 39.21 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.48 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 78.0 m95 -86.78 135.03 33.51 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.758 0.313 . . . . 0.0 110.931 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -147.76 144.01 18.6 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.58 0.705 . . . . 0.0 111.123 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.424 ' HG3' ' CE1' ' A' ' 17' ' ' TYR . 54.4 Cg_endo -69.66 117.86 5.33 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.668 2.245 . . . . 0.0 112.438 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.528 ' HB1' ' CH2' ' A' ' 44' ' ' TRP . . . -53.81 -16.88 1.96 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.118 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.9 t -63.27 -30.24 71.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -92.21 12.23 23.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.902 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.769 HD22 HG21 ' A' ' 33' ' ' VAL . 10.0 mt -133.04 146.36 51.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.927 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.16 131.36 34.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 29.2 tttt -57.59 118.0 4.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.092 179.857 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.874 0.369 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 27.5 mttp -81.93 111.76 18.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.408 ' CE1' ' HG2' ' A' ' 62' ' ' LYS . 6.3 m-85 -102.62 -179.77 4.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 81.3 t -132.07 144.32 37.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.152 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.412 HG22 HD23 ' A' ' 60' ' ' LEU . 57.2 p -94.46 130.67 40.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.144 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.8 m -100.16 -11.45 8.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.071 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.561 ' HB2' ' CD2' ' A' ' 59' ' ' TYR . 14.9 mm-40 -147.26 144.24 19.33 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.528 0.68 . . . . 0.0 110.939 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 146.42 60.2 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.724 2.283 . . . . 0.0 112.3 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -134.44 137.78 44.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.993 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 86.4 m -113.5 124.21 51.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.102 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 34.5 p -70.88 140.95 51.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 42.3 mm-40 -104.24 -47.95 4.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.903 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.8 t -110.71 -176.51 2.99 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.36 33.97 0.63 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.905 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -128.59 -30.28 2.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.5 mp0 -98.17 157.4 16.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 15.7 tt -120.69 138.03 52.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.115 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -99.26 123.53 7.93 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.511 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.405 ' CD1' HG21 ' A' ' 13' ' ' THR . 5.0 p90 -123.42 151.35 42.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.804 0.335 . . . . 0.0 110.882 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.487 ' O ' HG22 ' A' ' 31' ' ' VAL . 45.9 mt-10 -88.32 168.8 12.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.891 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 28.0 tttm -86.75 127.61 34.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 99.17 33.35 5.48 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.487 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.487 HG22 ' O ' ' A' ' 28' ' ' GLU . 15.6 m -127.58 173.72 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.904 0.383 . . . . 0.0 111.134 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 97.5 m -110.03 138.54 46.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.176 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 29.5 m -129.91 168.41 23.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.149 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -122.4 106.54 11.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.691 ' HA ' HG22 ' A' ' 46' ' ' ILE . 58.6 t -71.07 94.58 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.059 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.684 HG22 ' HG3' ' A' ' 37' ' ' ARG . 44.9 mt -65.78 -57.04 12.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.082 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.684 ' HG3' HG22 ' A' ' 36' ' ' ILE . 82.7 mtp180 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.834 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.487 ' HB3' ' CZ3' ' A' ' 54' ' ' TRP . 24.4 m95 . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.763 0.316 . . . . 0.0 110.945 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.526 ' CD1' ' HB2' ' A' ' 57' ' ' ALA . 11.3 m0 -119.12 111.29 18.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.964 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.499 ' CE2' ' HB3' ' A' ' 52' ' ' GLU . 4.1 t80 -74.75 123.98 25.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 -179.833 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.691 HG22 ' HA ' ' A' ' 35' ' ' VAL . 18.7 pt -134.55 168.68 23.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.158 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.513 ' HB2' HD11 ' A' ' 36' ' ' ILE . 32.5 ttt180 -126.29 117.45 23.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.941 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.592 ' CE2' HD12 ' A' ' 49' ' ' LEU . 14.9 t80 -130.49 132.47 45.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 -179.797 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.592 HD12 ' CE2' ' A' ' 48' ' ' TYR . 16.0 mt 62.33 36.34 14.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.894 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 65.13 34.18 88.99 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.478 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.45 134.01 28.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.665 0.269 . . . . 0.0 110.891 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.499 ' HB3' ' CE2' ' A' ' 45' ' ' TYR . 9.8 mt-10 -100.65 133.08 45.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.899 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -156.26 173.11 34.15 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.439 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.487 ' CZ3' ' HB3' ' A' ' 43' ' ' TRP . 37.4 m95 -87.44 116.71 25.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.719 0.295 . . . . 0.0 110.924 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -117.95 144.73 35.22 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.561 0.696 . . . . 0.0 111.134 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 146.24 59.97 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.714 2.276 . . . . 0.0 112.335 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.526 ' HB2' ' CD1' ' A' ' 44' ' ' TRP . . . -84.32 23.5 1.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.097 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 12.8 t -114.4 -22.51 9.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.561 ' CD2' ' HB2' ' A' ' 15' ' ' GLN . 7.4 m-85 -104.88 27.47 8.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.879 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.412 HD23 HG22 ' A' ' 13' ' ' THR . 16.1 mt -136.9 144.18 43.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.875 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.63 131.72 26.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.408 ' HG2' ' CE1' ' A' ' 11' ' ' TYR . 5.4 tmtt? -57.73 117.58 4.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.078 179.829 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.938 0.399 . . . . 0.0 110.825 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.1 mtmm -100.82 124.77 46.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.405 ' CD2' ' N ' ' A' ' 62' ' ' LYS . 6.8 m-85 -111.3 178.18 4.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.907 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 60.1 t -130.35 145.12 36.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.113 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.9 p -92.26 129.19 38.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.094 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.422 ' CG1' ' HD3' ' A' ' 61' ' ' LYS . 8.4 m -101.27 -9.47 9.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.161 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -150.75 144.01 16.88 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.625 0.726 . . . . 0.0 110.877 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.88 138.96 38.67 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.635 2.223 . . . . 0.0 112.281 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -123.75 133.55 53.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.934 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 92.7 m -102.74 119.85 39.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.185 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 68.9 p -81.66 121.98 27.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 20.4 mp0 -84.34 -29.88 25.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.903 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.0 m -133.83 156.92 47.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.829 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.2 ptmt -49.86 -43.06 48.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -44.93 -36.82 3.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -99.09 158.96 15.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.439 ' O ' HG23 ' A' ' 25' ' ' ILE . 14.9 tt -122.02 129.24 75.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.081 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -92.81 125.26 8.08 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.481 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -126.01 167.61 15.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.789 0.328 . . . . 0.0 110.923 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -104.1 172.54 6.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 36.9 tttt -88.93 119.21 29.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 110.45 34.61 2.25 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.472 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.1 m -131.43 170.7 19.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.915 0.388 . . . . 0.0 111.171 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.9 m -105.91 140.29 39.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.149 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.63 HG21 HD22 ' A' ' 60' ' ' LEU . 17.8 m -132.25 149.32 32.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.14 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.441 ' OE1' ' NH2' ' A' ' 47' ' ' ARG . 17.1 mt-10 -107.8 113.53 26.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 33.8 t -78.07 116.23 21.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.13 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 13.7 mt -89.02 -53.8 8.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.133 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 13.4 mmm180 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 179.977 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.51 ' HB3' ' CZ3' ' A' ' 54' ' ' TRP . 34.4 m95 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.811 0.339 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.712 ' CD1' ' HB2' ' A' ' 57' ' ' ALA . 23.1 m0 -106.52 104.48 14.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.949 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.505 ' CE2' ' HB3' ' A' ' 52' ' ' GLU . 4.7 t80 -63.43 114.49 3.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.945 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.407 HG12 ' HB3' ' A' ' 55' ' ' ALA . 22.1 pt -124.05 161.93 26.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.133 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.441 ' NH2' ' OE1' ' A' ' 34' ' ' GLU . 3.0 ttp-105 -121.77 127.36 50.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.49 ' CE1' ' HG ' ' A' ' 49' ' ' LEU . 15.9 t80 -137.93 133.18 33.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.922 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.49 ' HG ' ' CE1' ' A' ' 48' ' ' TYR . 14.4 mt 62.4 34.75 15.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.85 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 68.15 31.79 75.41 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.436 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.7 ttpp -138.77 131.01 28.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.723 0.297 . . . . 0.0 110.882 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.505 ' HB3' ' CE2' ' A' ' 45' ' ' TYR . 11.0 mt-10 -98.86 126.67 44.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.879 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -148.87 177.13 27.31 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.471 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.51 ' CZ3' ' HB3' ' A' ' 43' ' ' TRP . 28.7 m95 -89.09 125.84 35.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.803 0.335 . . . . 0.0 110.944 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.407 ' HB3' HG12 ' A' ' 46' ' ' ILE . . . -133.02 145.05 55.36 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.576 0.703 . . . . 0.0 111.156 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 147.26 62.7 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.674 2.249 . . . . 0.0 112.35 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.712 ' HB2' ' CD1' ' A' ' 44' ' ' TRP . . . -84.62 23.34 1.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.089 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 65.5 m -112.39 -28.95 7.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.836 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -96.19 26.22 4.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.967 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.63 HD22 HG21 ' A' ' 33' ' ' VAL . 20.9 mt -140.26 140.72 35.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.937 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.422 ' HD3' ' CG1' ' A' ' 14' ' ' VAL . 16.4 pttp -132.07 132.82 43.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.405 ' N ' ' CD2' ' A' ' 11' ' ' TYR . 31.1 tttm -53.0 123.34 11.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 179.804 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.09 179.878 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 49.1 mm-40 . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.92 0.39 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.921 ' HE2' HG21 ' A' ' 32' ' ' THR . 34.5 mtpt -78.13 112.05 14.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.933 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.479 ' CD1' HG21 ' A' ' 35' ' ' VAL . 6.5 m-85 -100.65 177.63 4.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.939 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.757 HG23 ' HB2' ' A' ' 63' ' ' ALA . 96.4 t -130.24 142.77 42.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.07 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.454 HG21 ' CD1' ' A' ' 27' ' ' PHE . 57.0 p -93.98 120.96 34.96 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.142 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.8 m -87.62 -12.72 10.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.099 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -148.15 145.06 19.7 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.599 0.714 . . . . 0.0 110.939 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.79 151.53 68.9 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.638 2.225 . . . . 0.0 112.327 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -128.15 148.86 50.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 10.5 m -117.64 105.31 11.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.102 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.428 ' OG ' ' N ' ' A' ' 25' ' ' ILE . 2.3 m -96.16 138.66 33.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.845 -179.822 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -125.31 25.01 7.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.8 m -162.76 141.12 8.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.0 pttt -44.58 -49.5 10.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -47.2 -38.6 12.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.853 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -100.64 158.39 15.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.428 ' N ' ' OG ' ' A' ' 19' ' ' SER . 14.6 tt -132.28 135.06 58.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.07 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.412 ' N ' ' HB2' ' A' ' 19' ' ' SER . . . -104.39 129.42 9.84 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.494 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.729 ' CE2' HD11 ' A' ' 46' ' ' ILE . 1.9 p90 -130.85 170.89 13.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.829 0.347 . . . . 0.0 110.855 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -99.66 178.89 4.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.967 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 28.6 tttm -94.21 125.0 38.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 103.13 38.88 2.77 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.449 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 6.3 m -133.48 171.21 18.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.895 0.379 . . . . 0.0 111.139 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.921 HG21 ' HE2' ' A' ' 10' ' ' LYS . 95.8 m -106.36 134.1 50.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.17 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.572 HG21 HD22 ' A' ' 60' ' ' LEU . 35.2 m -121.76 147.72 25.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.123 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 80.4 mt-10 -99.47 109.19 21.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.925 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.479 HG21 ' CD1' ' A' ' 11' ' ' TYR . 47.5 t -75.0 106.31 4.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 47.0 mt -80.93 -64.09 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.119 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 7.4 mtp85 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 179.961 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.55 ' CZ3' ' HB3' ' A' ' 54' ' ' TRP . 36.8 m95 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.795 0.331 . . . . 0.0 110.846 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 8.3 m0 -123.78 106.36 10.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.448 ' CE2' ' HB3' ' A' ' 52' ' ' GLU . 2.6 t80 -65.44 117.32 7.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.938 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.729 HD11 ' CE2' ' A' ' 27' ' ' PHE . 14.2 pt -126.14 163.64 27.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.182 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 38.4 ttt180 -121.99 119.85 32.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.837 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.484 ' CE2' HD12 ' A' ' 49' ' ' LEU . 44.1 t80 -134.42 131.48 38.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.014 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.484 HD12 ' CE2' ' A' ' 48' ' ' TYR . 13.2 mt 62.51 36.39 14.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.939 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 66.83 30.35 76.02 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.492 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.6 mtpm? -138.5 129.95 27.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.765 0.317 . . . . 0.0 110.91 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.448 ' HB3' ' CE2' ' A' ' 45' ' ' TYR . 2.0 mp0 -100.01 119.73 38.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -140.8 -177.7 16.44 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.458 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.55 ' HB3' ' CZ3' ' A' ' 43' ' ' TRP . 33.7 m95 -96.61 131.41 43.29 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.845 0.355 . . . . 0.0 110.929 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -140.63 144.28 35.69 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.606 0.717 . . . . 0.0 111.073 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 129.28 17.27 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.694 2.263 . . . . 0.0 112.386 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.14 -19.38 7.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.087 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 62.9 m -67.11 -35.97 80.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.828 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.466 ' O ' HD23 ' A' ' 60' ' ' LEU . 8.9 m-85 -88.62 22.61 2.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.572 HD22 HG21 ' A' ' 33' ' ' VAL . 9.9 mt -141.94 137.15 31.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.8 ptmt -131.73 130.75 42.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.6 tttm -54.37 113.25 1.2 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.874 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.757 ' HB2' HG23 ' A' ' 12' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.08 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.934 0.397 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 78.3 mttt -85.83 116.12 23.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.959 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.512 ' CE2' ' N ' ' A' ' 62' ' ' LYS . 5.9 m-85 -104.69 -177.99 3.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.619 HG23 ' HB2' ' A' ' 63' ' ' ALA . 39.4 t -132.89 146.94 31.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.142 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 70.7 p -91.96 145.01 24.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.085 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.2 m -116.56 -9.1 12.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.154 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 36.3 mm-40 -154.56 144.05 15.24 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.622 0.725 . . . . 0.0 110.883 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 141.59 45.52 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.711 2.274 . . . . 0.0 112.293 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 41.7 t80 -128.52 140.13 51.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.4 m -110.87 118.75 36.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.211 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.446 ' OG ' ' N ' ' A' ' 25' ' ' ILE . 2.0 m -99.97 125.18 45.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -110.0 27.88 9.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 35.5 t -159.23 135.62 9.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.8 tttp -45.43 -39.27 6.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.843 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -58.84 -36.38 74.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.797 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -101.59 151.79 21.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.446 ' N ' ' OG ' ' A' ' 19' ' ' SER . 12.3 tt -120.86 141.17 42.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.126 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.426 ' N ' ' HB2' ' A' ' 19' ' ' SER . . . -103.62 126.73 8.9 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.506 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 21.7 p90 -128.38 172.4 11.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.819 0.342 . . . . 0.0 110.897 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -102.66 -176.02 2.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 35.1 tttt -102.15 115.93 31.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 112.79 27.44 3.78 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.513 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 6.0 m -120.28 173.58 6.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.901 0.381 . . . . 0.0 111.108 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 98.5 m -106.93 139.28 41.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.111 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.447 HG21 HD22 ' A' ' 60' ' ' LEU . 30.1 m -134.72 146.9 30.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.177 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -102.04 111.55 23.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.923 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.488 ' HA ' HG22 ' A' ' 46' ' ' ILE . 61.9 t -70.54 122.68 22.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.161 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.625 HD11 ' HB2' ' A' ' 47' ' ' ARG . 18.0 mt -101.64 -70.18 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.169 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 40.8 mmt180 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.934 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.579 ' HB3' ' CZ3' ' A' ' 54' ' ' TRP . 12.8 m95 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.761 0.315 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 29.2 m0 -114.53 100.74 8.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.962 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.48 ' CE2' ' HB3' ' A' ' 52' ' ' GLU . 12.3 t80 -63.98 102.87 0.53 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.88 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.488 HG22 ' HA ' ' A' ' 35' ' ' VAL . 16.2 pt -109.09 168.92 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.099 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.625 ' HB2' HD11 ' A' ' 36' ' ' ILE . 24.6 ttp180 -128.01 117.26 21.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.802 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.566 ' CE2' HD12 ' A' ' 49' ' ' LEU . 20.0 t80 -125.6 126.24 44.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.566 HD12 ' CE2' ' A' ' 48' ' ' TYR . 28.3 mt 61.58 32.82 18.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.946 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.439 ' C ' ' HE3' ' A' ' 51' ' ' LYS . . . 79.16 -4.63 61.83 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.457 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.439 ' HE3' ' C ' ' A' ' 50' ' ' GLY . 0.0 OUTLIER -98.41 122.23 41.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.824 0.345 . . . . 0.0 110.891 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.48 ' HB3' ' CE2' ' A' ' 45' ' ' TYR . 34.1 mt-10 -98.94 129.3 45.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -153.93 -176.48 26.35 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.412 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.579 ' CZ3' ' HB3' ' A' ' 43' ' ' TRP . 51.5 m95 -96.88 131.88 43.2 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.789 0.328 . . . . 0.0 110.891 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -141.89 145.25 35.7 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.553 0.692 . . . . 0.0 111.062 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 122.41 9.1 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.72 2.28 . . . . 0.0 112.306 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -52.51 -19.9 2.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.126 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.8 t -64.58 -30.98 72.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.525 ' O ' HD23 ' A' ' 60' ' ' LEU . 19.7 m-85 -92.22 24.5 3.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.918 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.525 HD23 ' O ' ' A' ' 59' ' ' TYR . 9.1 mt -144.71 145.01 31.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.965 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.473 ' C ' ' CD2' ' A' ' 11' ' ' TYR . 42.9 pttt -138.65 133.67 32.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.831 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.512 ' N ' ' CE2' ' A' ' 11' ' ' TYR . 9.0 tttp -52.44 120.41 5.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.871 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.619 ' HB2' HG23 ' A' ' 12' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.039 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.93 0.395 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.828 ' HE2' HG22 ' A' ' 32' ' ' THR . 15.8 mtpt -115.81 128.0 55.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -110.52 177.58 4.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 85.8 t -126.22 128.95 72.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.112 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.632 HG22 HD23 ' A' ' 60' ' ' LEU . 73.3 p -81.96 112.59 19.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.164 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.5 m -85.44 -11.94 11.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.136 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -144.2 144.84 27.35 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.605 0.716 . . . . 0.0 110.903 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 156.68 62.77 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.685 2.256 . . . . 0.0 112.322 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.411 ' CE1' ' HD3' ' A' ' 56' ' ' PRO . 53.4 t80 -133.75 143.63 48.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.961 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.418 ' O ' ' NE2' ' A' ' 20' ' ' GLN . 85.7 m -107.45 109.45 21.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.1 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.426 ' HB3' ' N ' ' A' ' 26' ' ' GLY . 78.1 p -69.5 101.47 1.6 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.418 ' NE2' ' O ' ' A' ' 18' ' ' THR . 27.2 mp0 -68.87 -36.29 77.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.4 t -140.54 163.16 33.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.877 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -49.68 -32.79 14.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -56.86 -37.53 71.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.847 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -100.09 154.98 17.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 13.5 tt -118.17 139.57 44.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.142 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.426 ' N ' ' HB3' ' A' ' 19' ' ' SER . . . -102.67 124.65 8.24 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.453 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.621 ' CE2' HD11 ' A' ' 46' ' ' ILE . 3.0 p90 -130.61 156.17 45.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.776 0.322 . . . . 0.0 110.871 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.447 ' O ' HG22 ' A' ' 31' ' ' VAL . 1.4 pm0 -85.34 168.46 14.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.88 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 54.7 tttt -88.74 114.36 25.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.892 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 121.0 22.07 3.02 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.499 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.447 HG22 ' O ' ' A' ' 28' ' ' GLU . 4.2 m -121.27 165.4 16.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.994 0.426 . . . . 0.0 111.059 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.828 HG22 ' HE2' ' A' ' 10' ' ' LYS . 49.5 m -104.59 134.61 47.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.164 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.56 HG21 HD22 ' A' ' 60' ' ' LEU . 28.9 m -121.22 173.35 7.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.109 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.402 ' CG ' ' HE3' ' A' ' 10' ' ' LYS . 36.6 mt-10 -117.32 108.82 16.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.407 HG11 ' CE3' ' A' ' 44' ' ' TRP . 19.3 t -78.13 106.51 8.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.167 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 24.9 mt -80.14 -57.96 4.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.147 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 36.2 mmt-85 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.835 179.952 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.485 ' HB3' ' CZ3' ' A' ' 54' ' ' TRP . 13.1 m95 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.763 0.316 . . . . 0.0 110.984 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.407 ' CE3' HG11 ' A' ' 35' ' ' VAL . 12.0 m0 -111.34 104.75 13.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.902 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.551 ' CE2' ' HB3' ' A' ' 52' ' ' GLU . 3.5 t80 -63.85 116.27 5.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.952 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.621 HD11 ' CE2' ' A' ' 27' ' ' PHE . 11.7 pt -123.53 167.22 17.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.098 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 16.3 ttt180 -126.59 125.22 41.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.721 ' CE2' HD12 ' A' ' 49' ' ' LEU . 38.4 t80 -136.36 129.41 31.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.938 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.721 HD12 ' CE2' ' A' ' 48' ' ' TYR . 12.3 mt 61.97 38.63 14.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.927 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 65.59 36.36 92.35 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.509 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.6 mtmp? -143.81 126.18 15.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.862 0.363 . . . . 0.0 110.907 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.551 ' HB3' ' CE2' ' A' ' 45' ' ' TYR . 38.7 mt-10 -96.59 122.49 39.56 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -146.81 168.04 28.14 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.515 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.485 ' CZ3' ' HB3' ' A' ' 43' ' ' TRP . 63.6 m95 -80.82 129.88 34.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.709 0.29 . . . . 0.0 110.927 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -138.59 144.08 40.77 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.598 0.713 . . . . 0.0 111.113 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.411 ' HD3' ' CE1' ' A' ' 17' ' ' TYR . 53.1 Cg_endo -69.79 122.69 9.35 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.68 2.253 . . . . 0.0 112.292 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -52.51 -27.33 15.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.063 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.6 m -60.74 -28.32 68.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.854 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.402 ' CD1' ' HG2' ' A' ' 56' ' ' PRO . 2.9 m-85 -96.28 29.15 2.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.958 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.632 HD23 HG22 ' A' ' 13' ' ' THR . 9.8 mt -149.22 139.05 21.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.895 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.1 pttp -134.71 134.71 41.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.839 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.421 ' HD3' ' C ' ' A' ' 62' ' ' LYS . 5.6 tmtm? -49.85 112.42 0.66 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.082 179.837 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.943 0.401 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 30.5 mttt -89.92 111.05 21.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.931 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.538 ' CE2' ' N ' ' A' ' 62' ' ' LYS . 5.0 m-85 -101.81 -178.1 3.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.938 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.7 p -139.69 144.05 29.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.032 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.508 HG22 HD23 ' A' ' 60' ' ' LEU . 41.1 p -91.31 132.21 36.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.136 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 18.1 m -101.43 -10.24 8.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.1 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 61.3 mm-40 -148.78 144.32 18.15 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.662 0.744 . . . . 0.0 110.914 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 142.24 47.51 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.694 2.262 . . . . 0.0 112.332 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -119.47 151.19 38.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.944 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 43.1 m -120.65 95.83 4.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.177 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.418 ' HB3' ' C ' ' A' ' 25' ' ' ILE . 65.9 p -67.83 138.93 56.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 92.8 mm-40 -99.55 -40.73 7.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 74.5 m -129.58 170.25 14.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.5 ptpp? -54.29 -42.81 70.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.878 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -43.25 -45.19 5.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.906 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -98.88 157.98 15.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.869 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.496 ' CD1' ' O ' ' A' ' 51' ' ' LYS . 13.7 tt -122.42 138.25 53.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.088 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -106.35 125.06 8.0 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.478 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.463 ' CD1' HG21 ' A' ' 13' ' ' THR . 1.7 p90 -126.29 171.72 10.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.824 0.345 . . . . 0.0 110.876 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.405 ' O ' HG22 ' A' ' 31' ' ' VAL . 12.6 mt-10 -101.79 173.09 6.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.941 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 31.6 tttm -90.51 126.15 35.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.937 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 101.73 30.17 5.93 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.455 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.405 HG22 ' O ' ' A' ' 28' ' ' GLU . 16.0 m -125.63 168.07 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.922 0.391 . . . . 0.0 111.11 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 80.4 m -99.38 143.01 30.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.155 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.577 HG21 HD22 ' A' ' 60' ' ' LEU . 27.0 m -136.36 157.69 37.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.16 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -116.05 115.28 25.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.654 ' HA ' HG22 ' A' ' 46' ' ' ILE . 58.6 t -78.43 103.28 5.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.109 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.407 HD11 ' HB2' ' A' ' 47' ' ' ARG . 41.4 mt -75.29 -64.3 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.1 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 47.2 mtt180 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 179.958 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.439 ' CE3' ' HB3' ' A' ' 54' ' ' TRP . 18.1 m95 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.738 0.304 . . . . 0.0 110.954 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 14.9 m0 -116.76 112.51 21.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.946 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.525 ' CE2' ' HB3' ' A' ' 52' ' ' GLU . 3.6 t80 -75.58 123.12 24.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.963 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.654 HG22 ' HA ' ' A' ' 35' ' ' VAL . 11.3 pt -132.67 168.46 24.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.07 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.407 ' HB2' HD11 ' A' ' 36' ' ' ILE . 48.1 ttt180 -123.56 115.96 22.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.834 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.72 ' CE2' HD12 ' A' ' 49' ' ' LEU . 22.1 t80 -130.58 128.81 41.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.72 HD12 ' CE2' ' A' ' 48' ' ' TYR . 13.1 mt 62.7 41.02 9.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.875 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 60.61 35.98 90.53 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.47 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.496 ' O ' ' CD1' ' A' ' 25' ' ' ILE . 55.9 mttt -141.69 123.75 15.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.787 0.327 . . . . 0.0 110.847 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.525 ' HB3' ' CE2' ' A' ' 45' ' ' TYR . 2.1 mp0 -95.91 125.33 40.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.459 ' O ' ' CD1' ' A' ' 45' ' ' TYR . . . -150.49 -176.47 23.51 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.453 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.439 ' HB3' ' CE3' ' A' ' 43' ' ' TRP . 61.9 m95 -100.16 115.27 29.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.736 0.303 . . . . 0.0 110.964 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -122.65 142.82 38.45 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.543 0.687 . . . . 0.0 111.112 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 120.92 7.63 Favored 'Trans proline' 0 C--O 1.231 0.128 0 C-N-CA 122.685 2.256 . . . . 0.0 112.329 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -44.17 -33.15 1.43 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.092 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.0 m -49.22 -39.31 29.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.827 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.43 ' O ' HD23 ' A' ' 60' ' ' LEU . 5.9 m-85 -90.33 26.22 2.0 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.941 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.577 HD22 HG21 ' A' ' 33' ' ' VAL . 13.3 mt -146.74 152.53 38.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.829 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.49 ' C ' ' CD2' ' A' ' 11' ' ' TYR . 5.7 ptmm? -157.96 135.02 10.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.538 ' N ' ' CE2' ' A' ' 11' ' ' TYR . 58.6 tttt -48.81 123.3 6.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.934 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.07 179.88 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.906 0.384 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 29.8 mttp -106.98 116.73 32.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.936 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -107.48 176.53 5.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.899 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 24.3 t -132.38 140.7 47.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.124 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 22.5 p -89.23 135.04 33.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.127 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.453 ' CG1' ' HD3' ' A' ' 61' ' ' LYS . 7.0 m -103.05 -16.13 7.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.113 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.427 ' HB2' ' CD2' ' A' ' 59' ' ' TYR . 41.9 mm-40 -143.68 146.54 35.51 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.599 0.714 . . . . 0.0 110.903 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.65 151.24 69.67 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.732 2.288 . . . . 0.0 112.343 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 84.6 t80 -134.55 142.27 46.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.031 0.443 . . . . 0.0 110.845 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 37.1 m -109.94 116.94 32.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.176 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.404 ' HB3' ' N ' ' A' ' 26' ' ' GLY . 96.7 p -76.87 123.71 26.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.1 mp0 -82.93 -46.16 13.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.97 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.2 m -124.48 154.26 40.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.836 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -45.29 -38.19 5.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.865 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -47.92 -40.81 23.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.857 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.9 mp0 -98.99 159.37 15.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.885 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 11.7 tt -121.06 142.53 36.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.131 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.404 ' N ' ' HB3' ' A' ' 19' ' ' SER . . . -109.15 127.82 8.71 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.606 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 4.7 p90 -124.54 172.83 8.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.779 0.323 . . . . 0.0 110.927 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.49 ' O ' HG22 ' A' ' 31' ' ' VAL . 13.4 mt-10 -104.11 167.98 9.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 56.3 tttt -85.55 121.27 28.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.928 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.78 32.13 3.96 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.518 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.49 HG22 ' O ' ' A' ' 28' ' ' GLU . 18.6 m -125.75 177.92 4.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.875 0.369 . . . . 0.0 111.126 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 51.5 m -111.53 142.67 43.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.434 HG12 ' HB2' ' A' ' 48' ' ' TYR . 30.8 m -139.78 149.1 22.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.121 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -103.14 117.69 35.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 83.0 t -79.9 110.69 15.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.158 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 45.0 mt -85.11 -63.9 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.067 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 22.4 mtp85 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 -179.983 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.545 ' HB3' ' CZ3' ' A' ' 54' ' ' TRP . 21.8 m95 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.758 0.313 . . . . 0.0 110.943 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.706 ' CD1' ' HB2' ' A' ' 57' ' ' ALA . 14.5 m0 -112.36 103.91 12.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.447 ' CE1' ' C ' ' A' ' 53' ' ' GLY . 3.1 t80 -68.39 118.11 11.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.963 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 26.0 pt -122.35 170.94 11.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.132 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 14.9 ttm180 -127.86 116.36 20.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.478 ' CZ ' ' HG ' ' A' ' 49' ' ' LEU . 21.3 t80 -135.5 143.68 45.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.925 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.478 ' HG ' ' CZ ' ' A' ' 48' ' ' TYR . 11.3 mt 54.67 35.64 24.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.97 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 64.15 20.68 65.25 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.499 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.412 ' CE ' ' HA ' ' A' ' 51' ' ' LYS . 0.5 OUTLIER -125.41 136.02 52.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.804 0.335 . . . . 0.0 110.899 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -102.79 130.52 49.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.447 ' C ' ' CE1' ' A' ' 45' ' ' TYR . . . -154.73 177.09 32.23 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.474 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.545 ' CZ3' ' HB3' ' A' ' 43' ' ' TRP . 22.7 m95 -90.14 118.98 30.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.742 0.306 . . . . 0.0 110.99 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -119.48 144.13 36.03 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.606 0.717 . . . . 0.0 111.095 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.65 147.07 62.74 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.622 2.215 . . . . 0.0 112.431 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.706 ' HB2' ' CD1' ' A' ' 44' ' ' TRP . . . -85.37 22.94 1.4 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.15 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 39.8 t -112.45 -27.58 8.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.427 ' CD2' ' HB2' ' A' ' 15' ' ' GLN . 16.1 m-85 -98.51 26.99 5.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.925 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 18.1 mt -137.11 143.18 42.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.453 ' HD3' ' CG1' ' A' ' 14' ' ' VAL . 15.1 pttp -136.72 135.29 38.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.801 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' A' ' 63' ' ' ALA . 2.4 tmtt? -63.59 106.77 1.01 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 62' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.067 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.949 0.404 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 39.8 mttt -88.36 111.69 22.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.944 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.594 ' CE1' ' HD2' ' A' ' 62' ' ' LYS . 3.6 m-85 -104.07 164.67 11.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.961 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.434 HG23 ' HB2' ' A' ' 63' ' ' ALA . 88.7 t -120.71 145.79 26.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.109 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 24.8 p -95.75 113.91 25.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.157 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.449 HG23 ' HG3' ' A' ' 15' ' ' GLN . 17.0 m -86.1 -8.1 11.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.121 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.498 ' HB2' ' CD2' ' A' ' 59' ' ' TYR . 37.3 mt-30 -150.48 145.23 18.23 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.678 0.752 . . . . 0.0 110.912 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 152.39 69.56 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.674 2.249 . . . . 0.0 112.361 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -133.8 131.72 39.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 22.5 m -99.28 111.17 23.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.127 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.459 ' HB3' ' N ' ' A' ' 26' ' ' GLY . 78.5 p -74.51 133.25 42.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.936 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 95.2 mm-40 -90.7 -30.18 17.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 22' ' ' LYS . 18.8 m -154.57 163.78 39.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.824 -179.802 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.449 ' O ' ' C ' ' A' ' 23' ' ' ASP . 0.7 OUTLIER -36.04 -59.73 0.59 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.899 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' A' ' 22' ' ' LYS . 13.6 p-10 -34.43 -43.21 0.16 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.888 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 -98.47 151.58 20.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.931 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.426 ' C ' ' HB3' ' A' ' 19' ' ' SER . 13.7 tt -122.61 135.03 64.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.073 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.459 ' N ' ' HB3' ' A' ' 19' ' ' SER . . . -102.43 133.68 11.49 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.478 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.4 ' CE2' HD11 ' A' ' 46' ' ' ILE . 3.6 p90 -138.19 168.28 20.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.83 0.348 . . . . 0.0 110.867 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -96.11 173.15 7.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 45.0 tttt -92.31 116.69 29.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 116.76 24.2 3.75 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.534 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 5.8 m -116.33 -178.38 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.901 0.381 . . . . 0.0 111.147 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 92.5 m -115.12 136.57 52.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.158 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.651 HG21 HD22 ' A' ' 60' ' ' LEU . 27.1 m -126.43 166.18 23.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.155 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -122.73 113.14 18.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.959 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.545 ' HA ' HG22 ' A' ' 46' ' ' ILE . 96.4 t -76.51 112.67 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.186 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 78.8 mt -88.89 -60.04 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.154 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 58.3 mtm180 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.851 179.957 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 10.3 m95 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.741 0.305 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 11.8 m0 -115.73 106.17 13.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.523 ' CE2' ' HB3' ' A' ' 52' ' ' GLU . 3.7 t80 -62.53 116.96 5.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.545 HG22 ' HA ' ' A' ' 35' ' ' VAL . 10.3 pt -125.52 167.27 20.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.066 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 9.7 ttp180 -126.11 121.79 33.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.862 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.408 ' CE1' ' HG ' ' A' ' 49' ' ' LEU . 15.6 t80 -134.02 130.71 37.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.408 ' HG ' ' CE1' ' A' ' 48' ' ' TYR . 23.8 mt 61.13 37.77 17.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.95 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 65.19 35.16 91.32 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.491 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 15.4 ttmt -140.94 125.98 18.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.777 0.322 . . . . 0.0 110.907 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.523 ' HB3' ' CE2' ' A' ' 45' ' ' TYR . 41.7 mt-10 -95.89 125.14 40.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.918 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -147.49 -174.49 19.49 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.446 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 32.6 m95 -101.39 120.7 40.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.778 0.323 . . . . 0.0 110.926 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -127.45 144.13 49.81 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.544 0.687 . . . . 0.0 111.132 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 128.87 16.6 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.699 2.266 . . . . 0.0 112.309 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.75 -16.23 25.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.061 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.1 m -71.21 -25.25 62.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.813 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.498 ' CD2' ' HB2' ' A' ' 15' ' ' GLN . 4.3 m-85 -101.5 22.25 12.95 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.651 HD22 HG21 ' A' ' 33' ' ' VAL . 14.7 mt -138.35 137.2 37.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.91 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.75 131.76 39.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.594 ' HD2' ' CE1' ' A' ' 11' ' ' TYR . 15.8 tptm -57.72 120.5 8.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.434 ' HB2' HG23 ' A' ' 12' ' ' VAL . . . . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.076 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 79.8 mt-10 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.89 0.376 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 33.2 mttm -100.12 118.99 37.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.969 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.489 ' CE1' ' CD ' ' A' ' 62' ' ' LYS . 3.9 m-85 -104.7 177.47 4.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.953 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.414 ' HB ' ' CG ' ' A' ' 61' ' ' LYS . 44.5 t -132.26 144.38 37.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.136 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 42.1 p -95.77 119.61 34.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.109 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.458 HG23 ' HG3' ' A' ' 15' ' ' GLN . 16.5 m -93.8 -9.24 9.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.519 ' HB2' ' CD2' ' A' ' 59' ' ' TYR . 45.7 mt-30 -146.86 142.99 17.74 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.608 0.718 . . . . 0.0 110.906 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 150.68 68.66 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.719 2.279 . . . . 0.0 112.343 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 45.8 t80 -132.17 142.52 49.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.5 m -113.06 110.21 20.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.123 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.8 p -61.79 110.69 1.6 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -112.75 26.41 10.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.878 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.478 ' HB2' ' CG ' ' A' ' 24' ' ' GLU . 3.3 m -152.04 157.03 41.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.927 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 56.4 pttt -61.29 -28.72 69.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -109.46 34.55 3.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.481 ' OE2' ' CZ3' ' A' ' 43' ' ' TRP . 31.8 mm-40 -123.82 141.72 51.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.879 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.427 ' CD1' ' HB3' ' A' ' 51' ' ' LYS . 14.6 tt -115.82 137.48 49.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.153 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -109.02 120.46 5.86 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.48 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 4.0 p90 -122.04 159.66 26.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.891 0.377 . . . . 0.0 110.834 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -92.19 174.44 7.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.848 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.9 tttp -92.78 125.18 37.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.56 28.78 5.29 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.516 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 15.3 m -123.46 -175.82 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.868 0.366 . . . . 0.0 111.116 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 52.3 m -119.8 140.19 51.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.126 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.6 m -131.62 -178.71 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -134.58 115.84 14.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.946 ' HA ' HG22 ' A' ' 46' ' ' ILE . 40.9 t -78.71 110.05 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.154 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.549 HG22 ' HG2' ' A' ' 37' ' ' ARG . 17.6 mt -84.58 -64.28 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.108 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.549 ' HG2' HG22 ' A' ' 36' ' ' ILE . 26.1 mmt180 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.877 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.532 ' CZ3' ' HB3' ' A' ' 54' ' ' TRP . 34.3 m95 . . . . . 0 N--CA 1.458 -0.073 0 CA-C-O 120.737 0.304 . . . . 0.0 110.943 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.492 ' CG ' ' HB2' ' A' ' 57' ' ' ALA . 33.0 m0 -112.93 103.04 11.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.48 ' CE2' ' HB3' ' A' ' 52' ' ' GLU . 7.0 t80 -57.88 122.61 13.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.936 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.946 HG22 ' HA ' ' A' ' 35' ' ' VAL . 8.1 pt -136.0 168.49 22.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.142 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 28.3 ttp180 -125.79 121.15 32.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.458 ' CE2' HD12 ' A' ' 49' ' ' LEU . 13.2 t80 -131.7 126.68 35.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.958 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.458 HD12 ' CE2' ' A' ' 48' ' ' TYR . 13.1 mt 62.73 40.58 9.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.899 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 63.59 37.25 94.47 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.433 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.427 ' HB3' ' CD1' ' A' ' 25' ' ' ILE . 14.2 ttpt -143.8 122.19 12.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.794 0.331 . . . . 0.0 110.904 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.48 ' HB3' ' CE2' ' A' ' 45' ' ' TYR . 28.4 mt-10 -96.61 122.04 39.09 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.875 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -149.52 175.46 28.69 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.502 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.532 ' HB3' ' CZ3' ' A' ' 43' ' ' TRP . 30.8 m95 -86.35 133.9 33.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.78 0.324 . . . . 0.0 110.987 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -146.6 143.95 19.74 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.555 0.693 . . . . 0.0 111.128 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 124.9 11.53 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.677 2.251 . . . . 0.0 112.338 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.529 ' HA ' HD12 ' A' ' 60' ' ' LEU . . . -57.53 -27.28 62.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.182 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 41.5 t -55.71 -26.1 43.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.834 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.519 ' CD2' ' HB2' ' A' ' 15' ' ' GLN . 3.2 m-85 -99.51 23.36 9.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.529 HD12 ' HA ' ' A' ' 57' ' ' ALA . 22.8 mt -135.26 143.68 46.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.873 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.414 ' CG ' ' HB ' ' A' ' 12' ' ' VAL . 4.8 ptmm? -137.11 130.69 31.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.489 ' CD ' ' CE1' ' A' ' 11' ' ' TYR . 18.0 tptp -62.7 104.84 0.57 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.074 179.875 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.896 0.379 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.537 ' CG ' ' CD ' ' A' ' 34' ' ' GLU . 17.2 mtmm -117.08 122.43 44.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.888 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -105.63 -178.89 3.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.96 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 40.4 t -126.82 143.28 40.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.149 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.509 HG21 ' CD1' ' A' ' 27' ' ' PHE . 32.3 p -92.0 132.54 36.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.13 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.619 HG23 ' HG3' ' A' ' 15' ' ' GLN . 28.9 m -107.27 -11.41 10.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.085 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.619 ' HG3' HG23 ' A' ' 14' ' ' VAL . 62.3 mt-30 -146.7 144.0 19.66 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.653 0.74 . . . . 0.0 110.884 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.69 140.4 42.84 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.688 2.259 . . . . 0.0 112.356 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -122.21 143.82 49.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 59.0 m -119.1 102.38 8.69 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.164 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 82.1 p -72.11 127.58 33.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 81.6 mm-40 -81.79 -36.88 27.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 16.8 m -125.04 168.32 13.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.942 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -55.88 -47.4 77.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -39.78 -40.69 0.99 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.829 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.9 mp0 -98.16 154.03 18.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 12.7 tt -121.52 136.24 59.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.113 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -103.72 129.5 9.89 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.478 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.509 ' CD1' HG21 ' A' ' 13' ' ' THR . 3.8 p90 -129.01 166.95 18.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.777 0.322 . . . . 0.0 110.95 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.563 ' O ' HG22 ' A' ' 31' ' ' VAL . 14.3 mt-10 -95.23 162.76 13.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 24.0 tttm -80.89 116.09 20.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.945 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 114.03 32.27 2.07 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.499 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.563 HG22 ' O ' ' A' ' 28' ' ' GLU . 15.5 m -128.4 177.41 6.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.883 0.373 . . . . 0.0 111.116 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.45 ' CG2' ' HD2' ' A' ' 10' ' ' LYS . 52.4 m -110.52 136.75 49.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.165 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.694 HG21 HD22 ' A' ' 60' ' ' LEU . 19.3 m -126.89 145.28 34.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.135 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.537 ' CD ' ' CG ' ' A' ' 10' ' ' LYS . 5.1 mm-40 -105.8 109.93 22.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.903 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.651 HG22 HG22 ' A' ' 46' ' ' ILE . 63.8 t -74.77 122.62 28.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.138 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.48 ' CD1' ' HG2' ' A' ' 52' ' ' GLU . 80.4 mt -93.67 -52.49 9.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.121 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.852 179.969 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.56 ' CE3' ' HB3' ' A' ' 54' ' ' TRP . 24.9 m95 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.707 0.289 . . . . 0.0 110.934 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 8.8 m0 -122.98 117.25 25.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -75.32 114.56 13.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.936 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.651 HG22 HG22 ' A' ' 35' ' ' VAL . 6.6 pt -123.1 169.31 14.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.088 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.478 ' HB2' HD11 ' A' ' 36' ' ' ILE . 50.1 ttt180 -125.13 129.41 50.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.942 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.471 ' CE1' ' HG ' ' A' ' 49' ' ' LEU . 19.7 t80 -142.68 133.01 24.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.949 -179.813 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.471 ' HG ' ' CE1' ' A' ' 48' ' ' TYR . 35.8 mt 61.21 33.51 19.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 71.48 28.21 69.97 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.452 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 19.1 mtmt -136.79 126.45 25.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.792 0.33 . . . . 0.0 110.881 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.48 ' HG2' ' CD1' ' A' ' 36' ' ' ILE . 4.4 mp0 -95.92 120.43 36.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.872 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -144.09 179.47 21.39 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.455 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.56 ' HB3' ' CE3' ' A' ' 43' ' ' TRP . 45.3 m95 -92.49 125.06 36.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.748 0.309 . . . . 0.0 110.909 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.499 ' HB3' HG12 ' A' ' 46' ' ' ILE . . . -128.54 144.23 51.33 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.575 0.702 . . . . 0.0 111.112 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 120.14 6.97 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.717 2.278 . . . . 0.0 112.298 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.66 -20.49 8.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.116 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.0 m -68.94 -24.02 64.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.882 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -97.77 17.85 17.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.694 HD22 HG21 ' A' ' 33' ' ' VAL . 12.9 mt -134.17 141.83 47.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.883 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.2 ptmt -131.13 133.4 45.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -57.91 115.81 3.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.855 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.047 179.826 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.0 m -56.53 -59.59 4.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.869 0.366 . . . . 0.0 110.826 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.2 m 43.69 43.09 4.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.79 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.66 -71.33 0.28 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.488 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.5 p 40.93 40.99 1.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.927 0.394 . . . . 0.0 110.913 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.2 m -126.49 142.76 51.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.803 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.402 ' HA3' ' CD ' ' A' ' 34' ' ' GLU . . . -170.61 -166.09 28.97 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.835 -0.697 . . . . 0.0 112.617 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -99.33 -59.71 1.67 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.838 0.351 . . . . 0.0 110.924 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -128.19 109.6 11.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.808 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 27.1 mttp -87.01 119.58 27.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.914 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -108.92 173.61 6.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.956 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 31' ' ' VAL . 11.1 p -131.89 142.13 43.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.109 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 16.2 p -87.12 138.24 31.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.169 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.488 HG23 ' HG3' ' A' ' 15' ' ' GLN . 14.8 m -108.14 -7.6 10.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.115 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.502 ' HB2' ' CD2' ' A' ' 59' ' ' TYR . 60.1 mt-30 -152.21 146.31 18.36 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.643 0.735 . . . . 0.0 110.872 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.83 141.22 44.36 Favored 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.666 2.244 . . . . 0.0 112.37 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.418 ' CE1' ' HG3' ' A' ' 56' ' ' PRO . 62.2 t80 -129.55 130.25 45.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 88.6 m -101.85 116.34 32.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.095 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.1 p -77.64 130.84 37.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.816 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.6 mp0 -83.99 -36.43 23.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.989 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 64.3 m -135.59 164.88 26.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 23' ' ' ASP . 42.5 mtpt -49.45 -49.57 44.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.941 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 22' ' ' LYS . 10.6 m-20 -38.14 -37.09 0.25 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -104.81 149.58 25.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.944 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 9.9 tt -114.78 133.64 60.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.153 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -102.08 132.82 11.13 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.517 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -131.19 -178.03 4.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.844 0.354 . . . . 0.0 110.885 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -108.93 172.78 6.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 43.3 tttt -90.46 119.26 30.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 109.42 30.36 3.6 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.466 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.416 ' O ' HG23 ' A' ' 12' ' ' VAL . 9.4 m -123.62 166.75 18.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.966 0.412 . . . . 0.0 111.103 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 95.6 m -101.12 134.83 43.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.16 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 15.8 m -126.81 158.02 37.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.159 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.402 ' CD ' ' HA3' ' A' ' 7' ' ' GLY . 7.1 mm-40 -112.42 109.45 19.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 61.8 t -75.22 113.72 14.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.145 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.581 HD11 ' HB2' ' A' ' 47' ' ' ARG . 13.4 mt -94.35 -59.67 2.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.103 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 20.1 mmm180 -115.12 156.81 24.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.536 ' HD3' ' CH2' ' A' ' 44' ' ' TRP . 38.3 mtmt -135.77 108.21 7.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -95.16 -175.41 3.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 11.6 mt -99.94 -31.14 11.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.98 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 42' ' ' GLY . 2.0 mp0 -77.12 58.73 1.6 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.955 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 41' ' ' GLU . . . 36.12 40.8 0.41 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.539 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.523 ' HB3' ' CZ3' ' A' ' 54' ' ' TRP . 12.9 m95 -125.08 111.65 15.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.785 0.326 . . . . 0.0 110.876 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.536 ' CH2' ' HD3' ' A' ' 38' ' ' LYS . 11.7 m0 -118.43 106.25 12.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.898 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.549 ' CE2' ' HB3' ' A' ' 52' ' ' GLU . 3.4 t80 -64.54 115.41 5.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.944 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 7.1 pt -121.92 173.39 7.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.135 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.581 ' HB2' HD11 ' A' ' 36' ' ' ILE . 6.6 ttm105 -127.23 121.05 30.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.912 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.44 ' CZ ' ' HG ' ' A' ' 49' ' ' LEU . 38.1 t80 -144.1 144.97 31.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.44 ' HG ' ' CZ ' ' A' ' 48' ' ' TYR . 13.8 mt 54.51 34.75 21.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.924 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 62.51 36.31 92.99 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.451 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 25.6 mtpt -147.25 136.34 22.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.709 0.29 . . . . 0.0 110.867 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.549 ' HB3' ' CE2' ' A' ' 45' ' ' TYR . 39.1 mt-10 -101.85 126.2 48.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.864 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -147.59 179.91 24.12 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.51 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.523 ' CZ3' ' HB3' ' A' ' 43' ' ' TRP . 64.3 m95 -95.29 126.37 40.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.667 0.27 . . . . 0.0 110.942 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -133.01 145.74 58.29 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.577 0.703 . . . . 0.0 111.175 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.418 ' HG3' ' CE1' ' A' ' 17' ' ' TYR . 53.7 Cg_endo -69.76 121.78 8.47 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.701 2.268 . . . . 0.0 112.386 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.682 ' HA ' HD12 ' A' ' 60' ' ' LEU . . . -53.48 -24.12 12.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.077 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.1 m -59.55 -38.99 82.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.831 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.502 ' CD2' ' HB2' ' A' ' 15' ' ' GLN . 16.4 m-85 -89.43 29.31 1.13 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.682 HD12 ' HA ' ' A' ' 57' ' ' ALA . 9.7 mt -144.21 152.29 40.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.945 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 47.1 pttt -153.23 144.34 23.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 46.3 tttm -62.85 125.64 24.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -79.28 155.24 28.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.041 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -122.67 101.71 7.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -84.4 135.35 34.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.834 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 80.9 p -96.16 127.45 42.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.819 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -164.54 160.14 33.2 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.557 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 69' ' ' SER . 53.5 Cg_endo -69.65 -18.46 37.53 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.648 2.232 . . . . 0.0 112.351 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 68' ' ' PRO . 1.3 t -38.22 129.78 1.28 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.871 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.9 m -106.83 108.09 19.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.857 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.491 179.974 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -57.86 170.11 0.66 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.829 0.347 . . . . 0.0 110.907 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 t -167.11 165.3 15.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 64.69 82.68 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.511 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.6 p -151.55 154.37 36.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.913 0.387 . . . . 0.0 110.895 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.5 p -102.02 -51.04 3.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.884 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.71 106.41 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.498 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -107.64 -52.27 2.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.839 0.352 . . . . 0.0 110.883 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -133.37 123.79 26.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.834 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.8 mttp -97.56 118.1 33.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.977 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -110.5 170.41 8.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.963 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 14.2 p -127.43 147.64 32.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.167 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.574 HG22 HD23 ' A' ' 60' ' ' LEU . 77.3 p -94.39 134.51 36.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.081 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.6 m -103.78 -14.81 8.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.16 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 34.8 mm-40 -146.38 148.26 33.77 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.605 0.716 . . . . 0.0 110.859 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 151.46 69.19 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.688 2.259 . . . . 0.0 112.358 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -131.56 141.95 49.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 57.8 m -109.44 106.29 15.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.161 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.401 ' HB3' ' C ' ' A' ' 25' ' ' ILE . 27.9 p -74.54 117.15 16.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.832 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 97.9 mm-40 -74.09 -47.32 37.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.99 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 36.8 m -125.25 165.63 17.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' A' ' 23' ' ' ASP . 91.2 mttt -47.45 -54.35 11.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.848 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 22' ' ' LYS . 7.7 p-10 -35.82 -35.04 0.06 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.867 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 22' ' ' LYS . 19.3 mt-10 -103.12 146.45 28.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.865 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.401 ' C ' ' HB3' ' A' ' 19' ' ' SER . 16.1 tt -111.82 137.55 44.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.104 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -102.43 131.99 10.82 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.484 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.7 p90 -134.18 179.21 6.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.86 0.362 . . . . 0.0 110.851 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -112.09 173.72 6.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 28.8 tttm -89.51 115.07 26.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 114.3 34.44 1.61 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.487 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.9 m -130.38 161.65 39.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.855 0.36 . . . . 0.0 111.2 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 95.7 m -95.07 135.12 37.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.74 HG21 HD22 ' A' ' 60' ' ' LEU . 28.7 m -126.78 155.7 37.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.172 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.0 mp0 -113.36 107.14 15.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.949 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.643 ' HA ' HG22 ' A' ' 46' ' ' ILE . 85.0 t -73.37 106.54 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.172 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.701 HG22 ' HG3' ' A' ' 37' ' ' ARG . 66.5 mt -76.3 -61.74 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.11 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.701 ' HG3' HG22 ' A' ' 36' ' ' ILE . 65.6 mtt180 -132.79 162.23 32.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.876 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 61.4 mttt -120.78 143.89 48.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.892 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.442 ' CB ' ' O ' ' A' ' 43' ' ' TRP . 11.6 t-20 -120.84 163.26 18.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.953 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.1 mt -80.7 -34.69 34.39 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.948 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -78.33 52.77 1.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.882 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 42.0 40.1 3.13 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.525 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.525 ' HB3' ' CZ3' ' A' ' 54' ' ' TRP . 9.8 m95 -122.94 113.52 19.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.669 0.271 . . . . 0.0 110.915 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 13.6 m0 -118.68 108.9 15.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.945 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.528 ' CE2' ' HB3' ' A' ' 52' ' ' GLU . 3.0 t80 -68.4 116.16 8.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.643 HG22 ' HA ' ' A' ' 35' ' ' VAL . 8.1 pt -122.76 171.96 10.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.128 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.414 ' NH1' ' HB2' ' A' ' 47' ' ' ARG . 16.7 ttm105 -123.18 126.74 47.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.839 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -147.16 134.53 20.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.969 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 18.6 mt 61.23 39.67 15.46 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.923 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 60.2 35.45 87.95 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.474 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.4 135.37 22.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.769 0.319 . . . . 0.0 110.902 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.528 ' HB3' ' CE2' ' A' ' 45' ' ' TYR . 2.2 mp0 -102.3 123.83 46.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -146.45 -179.17 22.41 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.426 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.525 ' CZ3' ' HB3' ' A' ' 43' ' ' TRP . 60.9 m95 -91.17 137.52 32.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.741 0.305 . . . . 0.0 110.923 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -147.05 144.12 19.32 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.528 0.68 . . . . 0.0 111.159 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.85 126.77 13.64 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.672 2.248 . . . . 0.0 112.328 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.04 -21.33 30.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.121 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 14.9 m -63.15 -29.58 70.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.848 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -95.54 17.41 14.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.932 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.74 HD22 HG21 ' A' ' 33' ' ' VAL . 11.7 mt -139.35 141.65 37.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.93 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 18.0 pttp -142.4 138.1 30.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.83 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 11.8 tttp -55.28 124.84 18.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.92 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -84.65 145.75 27.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.077 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.8 ttmm -135.68 135.0 39.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -109.02 132.09 54.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 14.6 m -68.13 -53.68 23.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -89.78 -158.98 35.0 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.51 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.8 100.97 0.86 Allowed 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.692 2.261 . . . . 0.0 112.339 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 90.5 p -56.64 160.88 3.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.9 t -96.5 132.13 42.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.843 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.47 -179.966 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 N-CA-C 112.544 -0.223 . . . . 0.0 112.544 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.3 t -118.82 166.21 13.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.879 0.371 . . . . 0.0 110.768 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.4 m -100.1 -52.02 3.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.885 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.76 153.65 11.38 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.466 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.4 m -48.03 97.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.827 0.346 . . . . 0.0 110.816 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.7 m -156.26 117.18 3.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.69 93.83 0.14 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.484 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -66.03 -46.14 78.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.839 0.352 . . . . 0.0 110.881 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -128.73 132.47 47.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.43 ' HD2' HG21 ' A' ' 32' ' ' THR . 4.3 mtmp? -108.4 120.17 41.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.525 ' CD2' ' C ' ' A' ' 61' ' ' LYS . 6.2 m-85 -106.07 -177.82 3.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.857 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.648 HG23 ' HB2' ' A' ' 63' ' ' ALA . 61.6 t -131.96 146.83 32.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.146 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 43.9 p -94.7 117.36 30.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.119 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.552 HG23 ' HG3' ' A' ' 15' ' ' GLN . 23.8 m -91.69 -6.02 10.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.17 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.552 ' HG3' HG23 ' A' ' 14' ' ' VAL . 40.0 mt-30 -157.19 144.01 13.38 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.654 0.74 . . . . 0.0 110.903 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.68 147.48 63.47 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.692 2.261 . . . . 0.0 112.392 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -127.69 136.33 51.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.942 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 25.6 m -108.68 102.52 11.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.184 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.9 p -75.16 125.2 28.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.855 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 10.5 mp0 -91.68 -25.5 19.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.872 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 33.4 p -119.77 161.28 21.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.837 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -63.99 -40.29 96.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.956 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -53.38 -24.36 12.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -107.05 154.67 20.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 15.5 tt -121.58 141.63 41.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.139 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -107.47 129.7 9.78 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.486 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.602 ' CE2' HD11 ' A' ' 46' ' ' ILE . 2.8 p90 -127.98 167.0 17.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.836 0.351 . . . . 0.0 110.901 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -98.61 174.82 6.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 51.3 tttt -94.0 120.98 35.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 111.06 32.33 2.64 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.531 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 17.3 m -130.3 -177.07 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.908 0.385 . . . . 0.0 111.121 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.43 HG21 ' HD2' ' A' ' 10' ' ' LYS . 98.8 m -118.49 137.28 53.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.184 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.438 HG21 HD22 ' A' ' 60' ' ' LEU . 27.7 m -126.15 152.3 33.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.125 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.8 mp0 -107.38 109.32 21.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.942 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.485 HG11 ' HE2' ' A' ' 38' ' ' LYS . 80.2 t -72.64 114.57 11.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.16 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.509 HD11 ' HB2' ' A' ' 47' ' ' ARG . 22.5 mt -88.06 -59.71 2.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.096 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.438 ' HG2' HG22 ' A' ' 36' ' ' ILE . 3.6 mmp_? -119.91 164.1 16.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.838 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.485 ' HE2' HG11 ' A' ' 35' ' ' VAL . 83.1 mttt -138.65 124.11 19.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -112.1 -176.36 2.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 24.8 tp -100.1 -28.42 13.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.877 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 42' ' ' GLY . 7.4 mm-40 -77.46 55.63 1.29 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.906 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 41' ' ' GLU . . . 37.22 43.22 0.94 Allowed Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.505 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.534 ' HB3' ' CZ3' ' A' ' 54' ' ' TRP . 7.7 m95 -128.5 116.42 19.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.778 0.323 . . . . 0.0 110.968 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 9.0 m0 -121.72 105.08 10.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.427 ' CE2' ' HB3' ' A' ' 52' ' ' GLU . 3.2 t80 -62.95 104.93 0.61 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.904 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.602 HD11 ' CE2' ' A' ' 27' ' ' PHE . 12.5 pt -114.74 161.82 13.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.156 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.509 ' HB2' HD11 ' A' ' 36' ' ' ILE . 22.5 ttp180 -120.99 125.62 47.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.591 ' CE2' HD12 ' A' ' 49' ' ' LEU . 17.9 t80 -139.57 131.68 28.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.949 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.591 HD12 ' CE2' ' A' ' 48' ' ' TYR . 21.0 mt 60.62 40.99 15.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 61.31 36.58 92.67 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.479 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.9 mmmt -142.78 130.56 21.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.785 0.326 . . . . 0.0 110.915 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.427 ' HB3' ' CE2' ' A' ' 45' ' ' TYR . 51.4 mt-10 -99.71 126.2 45.71 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -151.77 170.64 31.23 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.47 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.534 ' CZ3' ' HB3' ' A' ' 43' ' ' TRP . 65.7 m95 -88.76 126.28 35.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.824 0.345 . . . . 0.0 110.904 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -132.81 144.36 52.57 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.58 0.705 . . . . 0.0 111.124 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 124.62 11.29 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.712 2.275 . . . . 0.0 112.342 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -53.5 -21.81 7.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.118 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 16.9 t -63.51 -29.48 70.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.844 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -95.52 15.7 19.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.93 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.438 HD22 HG21 ' A' ' 33' ' ' VAL . 13.1 mt -133.86 136.66 44.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.942 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.525 ' C ' ' CD2' ' A' ' 11' ' ' TYR . 4.0 ptmm? -124.87 144.46 50.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.489 ' HG2' ' CZ ' ' A' ' 11' ' ' TYR . 3.2 tmtp? -69.31 106.8 3.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.867 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.648 ' HB2' HG23 ' A' ' 12' ' ' VAL . . . -62.38 145.71 53.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.15 179.744 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 65' ' ' ASP . 27.8 ttpt 62.36 37.27 13.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.852 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 64' ' ' LYS . 1.1 m-20 -38.15 153.21 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.933 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 33.5 t -133.36 117.72 17.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.891 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 60.8 82.08 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.542 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -25.37 28.41 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.723 2.282 . . . . 0.0 112.293 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 48.4 p -103.32 124.65 49.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.8 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 69.6 m -97.2 82.05 3.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.847 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.455 -179.974 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.243 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.8 p -114.78 81.08 1.5 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.873 0.368 . . . . 0.0 110.902 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.9 m -61.57 100.07 0.13 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.839 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 83.31 91.48 0.68 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.481 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 m -101.81 -58.16 1.93 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.896 0.379 . . . . 0.0 110.893 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.6 t -128.1 82.7 2.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.852 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.26 52.45 0.77 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.535 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -75.96 -40.07 54.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.833 0.349 . . . . 0.0 110.914 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -128.49 122.74 31.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 29.4 mttm -104.16 124.13 48.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.431 ' CD2' ' C ' ' A' ' 61' ' ' LYS . 7.6 m-85 -110.74 165.84 11.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.86 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 15.0 p -127.87 144.59 37.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.158 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 67.5 p -85.99 136.65 33.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.1 m -107.26 -15.37 9.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.125 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 28.7 mm100 -149.09 147.67 24.55 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.609 0.719 . . . . 0.0 110.919 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 141.08 44.29 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.639 2.226 . . . . 0.0 112.333 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 37.8 t80 -130.07 146.77 51.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.918 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 90.8 m -122.63 105.26 9.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.099 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 97.1 p -63.45 132.1 50.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 15.6 mp0 -77.95 -39.0 44.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.956 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.9 m -130.56 177.36 7.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.821 -179.713 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.0 pttp -61.56 -37.03 82.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.59 -33.62 15.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.883 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -106.99 154.35 21.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 13.2 tt -117.88 133.21 65.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.115 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -102.79 132.47 11.02 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.487 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.565 ' HE2' HD11 ' A' ' 46' ' ' ILE . 1.1 p90 -133.61 -179.95 5.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.832 0.349 . . . . 0.0 110.851 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -101.39 176.81 5.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.864 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 28.4 tttt -96.44 118.14 32.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 114.88 26.73 3.47 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.498 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.0 m -123.14 162.11 23.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.948 0.404 . . . . 0.0 111.116 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 84.8 m -96.35 136.61 36.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.166 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.8 HG21 HD22 ' A' ' 60' ' ' LEU . 19.6 m -129.81 155.61 41.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.061 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -112.07 126.28 55.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.614 ' HA ' HG22 ' A' ' 46' ' ' ILE . 22.1 t -89.51 108.04 18.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.085 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.426 HG22 ' HG3' ' A' ' 37' ' ' ARG . 93.1 mt -77.19 -65.38 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.169 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.426 ' HG3' HG22 ' A' ' 36' ' ' ILE . 40.1 mtt180 -128.33 159.42 35.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.81 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.558 ' HE3' HG11 ' A' ' 35' ' ' VAL . 40.3 mttt -126.66 156.51 40.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.937 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 64.4 m-20 -166.27 153.57 9.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.947 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.5 mm? 42.49 26.24 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.914 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 40.2 31.4 0.1 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -143.19 -43.58 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.458 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 41.0 m95 -103.58 105.39 15.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.8 0.333 . . . . 0.0 110.873 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.671 ' O ' HG23 ' A' ' 46' ' ' ILE . 7.1 m0 -116.41 104.52 11.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.91 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.576 ' CE2' ' HB3' ' A' ' 52' ' ' GLU . 12.0 t80 -51.48 110.53 0.46 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.915 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.671 HG23 ' O ' ' A' ' 44' ' ' TRP . 8.0 pt -116.33 170.76 5.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.089 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 51.6 ttp180 -131.11 127.97 39.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.814 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.63 ' CE2' HD12 ' A' ' 49' ' ' LEU . 19.1 t80 -141.07 135.86 31.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.882 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.63 HD12 ' CE2' ' A' ' 48' ' ' TYR . 12.7 mt 60.64 32.29 20.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.987 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 72.12 21.16 79.29 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.448 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.64 125.56 36.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.761 0.315 . . . . 0.0 110.919 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.576 ' HB3' ' CE2' ' A' ' 45' ' ' TYR . 3.1 mp0 -97.75 126.71 43.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.948 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -155.03 175.97 32.86 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.483 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 61.9 m95 -85.28 124.83 32.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.773 0.32 . . . . 0.0 110.898 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -130.74 146.87 63.81 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.569 0.7 . . . . 0.0 111.103 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 123.98 10.64 Favored 'Trans proline' 0 N--CA 1.466 -0.133 0 C-N-CA 122.73 2.287 . . . . 0.0 112.337 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.601 ' HB1' ' CH2' ' A' ' 44' ' ' TRP . . . -56.95 -24.53 53.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.062 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.0 m -61.74 -36.72 81.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.905 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.428 ' O ' HD23 ' A' ' 60' ' ' LEU . 68.1 m-85 -89.66 26.2 1.81 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.956 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.8 HD22 HG21 ' A' ' 33' ' ' VAL . 10.1 mt -146.32 138.95 25.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.938 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.431 ' C ' ' CD2' ' A' ' 11' ' ' TYR . 18.5 ptmt -140.22 138.04 34.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.17 111.09 0.7 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.839 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -86.31 143.68 27.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.062 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.0 mmmt -84.74 169.87 13.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -151.34 159.91 44.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.6 t -56.92 137.32 55.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 138.43 146.52 5.01 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.483 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.446 ' O ' ' C ' ' A' ' 69' ' ' SER . 54.0 Cg_endo -69.79 -38.11 8.18 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.738 2.292 . . . . 0.0 112.344 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 68' ' ' PRO . 3.5 m -34.82 116.8 0.35 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 17.6 t -122.39 91.92 3.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.478 179.986 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.4 t -68.14 119.38 12.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.926 0.393 . . . . 0.0 110.851 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.6 t -39.04 -56.99 1.34 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.885 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.3 -53.26 0.76 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.471 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 m -66.19 160.55 23.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.951 0.405 . . . . 0.0 110.792 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.7 m -92.21 168.91 11.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.778 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.67 -168.41 0.43 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.556 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -109.78 -60.89 1.72 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.847 0.356 . . . . 0.0 110.971 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -138.52 106.34 5.65 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.895 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.916 ' HE2' HG21 ' A' ' 32' ' ' THR . 33.8 mtpt -76.69 112.79 13.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -100.79 173.61 6.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 63.0 t -123.98 136.82 59.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.155 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.511 HG22 HD23 ' A' ' 60' ' ' LEU . 43.1 p -90.17 117.24 28.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.626 HG23 ' HG3' ' A' ' 15' ' ' GLN . 16.8 m -87.38 -8.97 11.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.141 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.626 ' HG3' HG23 ' A' ' 14' ' ' VAL . 33.1 mt-30 -150.33 144.08 17.13 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.565 0.698 . . . . 0.0 110.917 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 151.12 68.82 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.661 2.241 . . . . 0.0 112.346 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -132.91 138.39 46.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 58.1 m -105.82 116.3 31.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.124 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.422 ' HB3' ' C ' ' A' ' 25' ' ' ILE . 22.3 p -76.58 119.36 20.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.811 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 96.1 mm-40 -83.86 -31.2 25.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.872 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 31.1 m -143.37 160.1 41.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.847 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 43.8 tttm -46.61 -41.59 14.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.877 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -48.78 -35.71 14.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.902 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -106.86 145.13 32.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.461 HD11 ' HB3' ' A' ' 51' ' ' LYS . 16.3 tt -107.28 144.56 15.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.092 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -108.06 131.09 10.42 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.426 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 1.8 p90 -134.34 170.64 15.43 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.787 0.327 . . . . 0.0 110.83 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -103.67 178.56 4.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.837 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 59.5 tttt -94.7 122.98 37.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 106.28 35.67 2.86 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.469 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 16.2 m -132.42 173.88 14.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.916 0.389 . . . . 0.0 111.082 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.916 HG21 ' HE2' ' A' ' 10' ' ' LYS . 78.6 m -109.67 133.85 52.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.159 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.745 HG21 HD22 ' A' ' 60' ' ' LEU . 30.9 m -123.79 141.91 42.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.092 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -99.36 113.5 25.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.915 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.584 HG22 HG22 ' A' ' 46' ' ' ILE . 74.8 t -79.93 114.36 20.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.156 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.429 HG22 ' HD2' ' A' ' 37' ' ' ARG . 18.9 mt -83.81 -60.94 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.186 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.429 ' HD2' HG22 ' A' ' 36' ' ' ILE . 0.5 OUTLIER -114.96 168.76 9.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.493 ' HD3' ' CZ2' ' A' ' 44' ' ' TRP . 32.1 mttp -135.9 152.3 50.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 33.9 t30 -147.83 143.36 27.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.844 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 41' ' ' GLU . 11.4 mt -74.95 -47.21 30.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 40' ' ' LEU . 17.0 mt-10 -37.64 -46.66 0.89 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 138.22 42.85 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.443 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.426 ' HB3' ' CZ3' ' A' ' 54' ' ' TRP . 31.3 m95 -141.51 121.32 13.52 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.779 0.323 . . . . 0.0 110.974 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.493 ' CZ2' ' HD3' ' A' ' 38' ' ' LYS . 9.1 m0 -121.31 107.49 12.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.957 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -68.1 115.46 7.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.967 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.584 HG22 HG22 ' A' ' 35' ' ' VAL . 34.0 pt -123.18 168.21 15.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.14 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 30.6 ttt180 -123.92 123.92 41.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.881 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.574 ' CE1' ' HG ' ' A' ' 49' ' ' LEU . 23.9 t80 -137.66 130.08 29.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.888 -179.8 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.574 ' HG ' ' CE1' ' A' ' 48' ' ' TYR . 53.7 mt 60.24 42.15 15.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.944 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 63.27 27.88 71.36 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.495 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.461 ' HB3' HD11 ' A' ' 25' ' ' ILE . 14.2 ttmm -133.25 130.85 39.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.779 0.323 . . . . 0.0 110.902 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.409 ' N ' ' OE1' ' A' ' 52' ' ' GLU . 2.6 mp0 -106.13 120.44 41.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -146.1 -175.35 19.06 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.45 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.426 ' CZ3' ' HB3' ' A' ' 43' ' ' TRP . 38.8 m95 -97.21 133.01 42.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.72 0.295 . . . . 0.0 110.988 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -144.28 147.0 35.43 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.614 0.721 . . . . 0.0 111.046 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 126.52 13.42 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.734 2.29 . . . . 0.0 112.337 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.58 -12.59 10.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.097 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.8 m -68.58 -26.67 65.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -97.24 20.61 11.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.925 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.745 HD22 HG21 ' A' ' 33' ' ' VAL . 19.0 mt -136.31 138.85 42.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.914 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.426 ' HD3' ' CG1' ' A' ' 14' ' ' VAL . 53.4 pttt -131.45 135.82 47.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 179.785 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.58 114.24 3.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.941 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.12 -61.03 2.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.131 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 38.9 tttt -82.87 43.73 0.87 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -43.43 156.44 0.05 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.4 t -141.59 154.27 45.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -115.29 164.45 12.13 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.508 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.84 -10.94 29.71 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.707 2.271 . . . . 0.0 112.279 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.0 t -52.3 128.72 26.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.832 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.3 m -110.56 135.35 51.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.857 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.225 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.448 179.973 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.8 p -152.51 169.33 22.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.931 0.396 . . . . 0.0 110.741 -179.694 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.5 m -41.55 124.15 2.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.796 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.01 77.18 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.508 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.6 m -118.37 -54.93 2.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.826 0.346 . . . . 0.0 110.869 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.8 p -119.98 40.37 3.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.36 165.3 29.9 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.55 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -112.96 -62.03 1.65 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.817 0.341 . . . . 0.0 110.882 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -120.4 125.23 47.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.842 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 23.8 mttp -85.77 113.48 21.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.932 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -107.91 163.77 12.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.985 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 85.2 t -119.59 142.56 34.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.115 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.495 HG22 HD23 ' A' ' 60' ' ' LEU . 30.6 p -90.79 145.42 24.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.418 HG23 ' HG3' ' A' ' 15' ' ' GLN . 4.4 m -116.48 -4.88 11.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.114 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.418 ' HG3' HG23 ' A' ' 14' ' ' VAL . 63.4 mt-30 -155.33 144.01 14.75 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.657 0.742 . . . . 0.0 110.955 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 134.53 28.22 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.709 2.273 . . . . 0.0 112.279 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -117.61 129.62 55.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 91.3 m -100.04 103.3 14.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.186 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.419 ' HB3' ' N ' ' A' ' 26' ' ' GLY . 51.7 p -60.79 140.48 57.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.817 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -101.74 -31.84 10.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.91 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.1 t -139.57 159.6 41.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 34.6 mtmt -48.64 -40.29 27.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.902 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -49.39 -42.76 43.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.877 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.7 mp0 -99.52 147.95 24.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.426 HD11 ' HB3' ' A' ' 51' ' ' LYS . 12.3 tt -113.15 140.0 35.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.113 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.419 ' N ' ' HB3' ' A' ' 19' ' ' SER . . . -105.41 129.24 9.72 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.503 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 2.6 p90 -126.75 169.43 13.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.833 0.349 . . . . 0.0 110.852 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -96.0 179.0 5.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.894 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.3 tttp -98.23 121.15 39.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.927 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.66 26.6 6.08 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.495 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 15.3 m -121.45 175.81 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.847 0.355 . . . . 0.0 111.167 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 95.3 m -107.61 139.41 42.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.106 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.617 HG21 HD22 ' A' ' 60' ' ' LEU . 16.9 m -131.79 152.03 36.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.166 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -107.66 116.56 32.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.929 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.714 HG22 HG22 ' A' ' 46' ' ' ILE . 92.7 t -86.9 117.41 31.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.136 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.462 ' CD1' ' HG2' ' A' ' 52' ' ' GLU . 32.6 mt -92.73 -54.45 7.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.141 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 36.1 mtp180 -117.69 159.97 22.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.502 ' HG2' ' CD2' ' A' ' 44' ' ' TRP . 43.9 mtmt -140.97 128.89 21.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.936 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -114.54 179.57 3.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.912 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.421 ' O ' ' C ' ' A' ' 41' ' ' GLU . 8.4 mt -99.44 -53.97 3.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.961 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 40' ' ' LEU . 40.0 mt-10 -34.94 -57.27 0.55 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.842 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 153.91 37.29 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.441 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.54 ' CZ3' ' HB3' ' A' ' 54' ' ' TRP . 21.9 m95 -132.2 123.31 26.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.789 0.328 . . . . 0.0 110.906 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.502 ' CD2' ' HG2' ' A' ' 38' ' ' LYS . 8.6 m0 -122.48 109.42 14.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.926 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -66.95 115.25 6.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.003 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.714 HG22 HG22 ' A' ' 35' ' ' VAL . 22.6 pt -126.93 169.67 18.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.101 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 20.6 ttt180 -128.06 125.9 40.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.819 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.523 ' CE1' ' HG ' ' A' ' 49' ' ' LEU . 17.1 t80 -136.14 132.13 35.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.923 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.523 ' HG ' ' CE1' ' A' ' 48' ' ' TYR . 19.8 mt 60.19 35.52 21.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.843 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 69.19 34.88 76.29 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.519 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.426 ' HB3' HD11 ' A' ' 25' ' ' ILE . 16.4 ttpt -141.9 124.72 16.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.687 0.28 . . . . 0.0 110.878 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.462 ' HG2' ' CD1' ' A' ' 36' ' ' ILE . 66.1 mt-10 -95.96 121.72 38.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.928 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -147.31 -178.14 22.36 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.48 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.54 ' HB3' ' CZ3' ' A' ' 43' ' ' TRP . 59.2 m95 -92.55 134.05 35.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.793 0.33 . . . . 0.0 110.904 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -143.28 144.16 27.24 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.557 0.694 . . . . 0.0 111.079 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.409 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 53.3 Cg_endo -69.79 126.6 13.48 Favored 'Trans proline' 0 N--CA 1.466 -0.146 0 C-N-CA 122.704 2.269 . . . . 0.0 112.334 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.53 -9.96 6.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.108 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 13.7 t -76.43 -22.43 54.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.409 ' CD1' ' HG2' ' A' ' 56' ' ' PRO . 22.8 m-85 -98.85 15.22 26.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.949 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.617 HD22 HG21 ' A' ' 33' ' ' VAL . 9.5 mt -133.54 146.34 50.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.931 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.2 pttp -134.12 134.59 42.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 9.6 tmtt? -60.02 121.15 11.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.927 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.36 123.65 23.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.139 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 46.4 mtpt -84.12 143.51 29.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.885 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -159.32 169.82 23.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 52.3 m -119.08 40.38 3.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -106.6 -158.22 21.62 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.5 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 110.5 2.57 Favored 'Trans proline' 0 N--CA 1.465 -0.182 0 C-N-CA 122.68 2.253 . . . . 0.0 112.351 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.6 m -102.9 -57.23 2.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.884 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 41.0 t -98.09 107.58 20.09 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.892 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.547 179.999 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.5 m -95.97 151.02 19.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.824 0.345 . . . . 0.0 110.905 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.5 p -83.26 -43.73 15.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 94.15 111.2 2.26 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.439 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.9 t -127.33 119.13 25.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.949 0.404 . . . . 0.0 110.834 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 t -105.03 40.52 1.5 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.88 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.74 127.43 9.25 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.526 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -98.07 -54.51 3.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.789 0.328 . . . . 0.0 110.88 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 69.8 mt-10 -123.33 115.52 21.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.901 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 48.1 mttt -79.25 115.83 19.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.563 ' CE1' ' HD2' ' A' ' 62' ' ' LYS . 3.5 m-85 -104.77 -178.44 3.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.863 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 24.1 t -136.18 139.08 46.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.129 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.602 HG22 HD23 ' A' ' 60' ' ' LEU . 35.2 p -89.51 121.37 31.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.095 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.6 m -92.34 -10.89 9.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.109 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -144.47 146.35 32.3 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.562 0.696 . . . . 0.0 110.899 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 153.85 68.55 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.631 2.221 . . . . 0.0 112.361 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -133.8 124.63 26.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.944 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 41.0 m -93.22 110.85 22.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.151 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 30.1 p -85.02 154.77 21.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -129.77 -33.29 1.83 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 42.5 t -130.76 149.76 52.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.054 0.454 . . . . 0.0 110.814 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 11.0 tppt? -41.18 -45.15 2.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.955 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.11 -44.05 10.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.829 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 75.5 mt-10 -99.26 150.55 21.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 15.4 tt -120.86 140.94 43.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.175 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -108.42 129.39 9.55 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.498 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.589 ' CE2' HD11 ' A' ' 46' ' ' ILE . 2.7 p90 -133.91 157.94 44.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.782 0.325 . . . . 0.0 110.938 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.41 ' O ' HG22 ' A' ' 31' ' ' VAL . 14.0 mt-10 -87.15 168.9 12.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.2 tttm -87.91 118.48 27.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 111.39 29.27 3.48 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.538 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.41 HG22 ' O ' ' A' ' 28' ' ' GLU . 16.3 m -121.93 173.54 7.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.887 0.375 . . . . 0.0 111.134 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 89.5 m -106.5 138.7 42.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.185 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.602 HG21 HD22 ' A' ' 60' ' ' LEU . 24.9 m -135.76 150.27 28.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.137 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -104.15 115.65 30.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 98.2 t -79.2 100.86 4.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 52.2 mt -72.5 -52.13 25.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.131 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 55.9 mtm-85 -134.24 153.17 52.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.942 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.528 ' HB2' ' CE2' ' A' ' 44' ' ' TRP . 9.6 ptpp? -135.09 123.42 23.16 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.88 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -100.14 179.38 4.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.934 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.3 tt -97.91 -47.02 5.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.96 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -42.95 -57.63 2.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 156.11 43.81 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.481 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.502 ' HB3' ' CZ3' ' A' ' 54' ' ' TRP . 18.1 m95 -139.74 123.2 17.18 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.771 0.319 . . . . 0.0 110.898 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.528 ' CE2' ' HB2' ' A' ' 38' ' ' LYS . 7.7 m0 -122.31 102.85 8.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.878 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -61.87 118.57 7.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.961 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.589 HD11 ' CE2' ' A' ' 27' ' ' PHE . 19.9 pt -127.78 168.88 20.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.148 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 22.8 ttp180 -128.79 119.93 25.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.534 ' CE1' ' HG ' ' A' ' 49' ' ' LEU . 14.7 t80 -132.94 132.48 42.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.534 ' HG ' ' CE1' ' A' ' 48' ' ' TYR . 11.8 mt 59.08 41.87 19.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.928 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 61.21 38.78 96.2 Favored Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.513 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 26.5 ttmt -147.02 129.0 15.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.773 0.32 . . . . 0.0 110.929 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.7 mp0 -98.74 128.41 44.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -150.91 174.95 30.09 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.463 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.502 ' CZ3' ' HB3' ' A' ' 43' ' ' TRP . 44.4 m95 -90.31 126.75 35.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.784 0.326 . . . . 0.0 110.963 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -138.37 144.65 43.67 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.541 0.686 . . . . 0.0 111.125 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 125.91 12.69 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.661 2.241 . . . . 0.0 112.386 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.4 -27.06 9.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.075 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 73.5 m -60.1 -30.99 69.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.816 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.604 ' O ' HD23 ' A' ' 60' ' ' LEU . 4.7 m-85 -93.98 25.13 3.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.93 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.604 HD23 ' O ' ' A' ' 59' ' ' TYR . 8.0 mt -147.73 141.08 25.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.934 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 31.1 pttt -142.1 130.62 22.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.914 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.563 ' HD2' ' CE1' ' A' ' 11' ' ' TYR . 12.7 tptm -51.4 113.32 0.93 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -45.8 -69.81 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.125 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 11.1 ptmt -79.03 169.25 18.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.859 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -116.23 130.68 56.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 34.1 t -168.38 139.69 2.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 51.25 65.79 2.9 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.477 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -47.36 0.93 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.673 2.249 . . . . 0.0 112.357 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 49.7 m -62.62 120.36 11.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.1 t -109.0 97.27 6.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.904 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.543 -179.963 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.262 0 N-CA-C 112.433 -0.267 . . . . 0.0 112.433 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.2 m -144.44 126.76 15.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.871 0.367 . . . . 0.0 110.865 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.2 t -132.02 41.81 3.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.839 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.02 -143.05 8.44 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.479 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.8 m -123.17 134.83 54.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.906 0.384 . . . . 0.0 110.826 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.8 p -112.41 118.5 35.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.815 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.99 86.52 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.437 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -38.65 -44.93 1.04 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.821 0.343 . . . . 0.0 110.867 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -153.7 135.25 14.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.891 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 54.7 mttp -107.55 120.31 41.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.947 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.471 ' CD2' ' N ' ' A' ' 62' ' ' LYS . 5.9 m-85 -105.65 -177.79 3.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.946 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.462 HG23 ' HB2' ' A' ' 63' ' ' ALA . 54.4 t -132.15 142.69 42.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.111 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.463 HG22 HD23 ' A' ' 60' ' ' LEU . 57.1 p -94.87 120.28 34.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.126 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.416 ' CG1' ' HD3' ' A' ' 61' ' ' LYS . 13.6 m -88.38 -15.11 9.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.138 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 20.1 mm100 -148.48 146.92 23.76 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.622 0.725 . . . . 0.0 110.893 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 152.7 69.32 Favored 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 122.662 2.241 . . . . 0.0 112.428 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -128.85 149.45 50.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.009 0.433 . . . . 0.0 110.909 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 94.6 m -117.97 104.69 11.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.129 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.413 ' HB3' ' C ' ' A' ' 25' ' ' ILE . 87.8 p -76.72 117.23 18.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.816 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 15.7 mp0 -74.66 -41.8 59.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.948 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 47.3 m -121.22 165.43 15.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.0 pttt -56.83 -28.79 62.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.861 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.06 -39.1 68.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.866 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -99.63 164.1 12.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.893 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.413 ' C ' ' HB3' ' A' ' 19' ' ' SER . 15.1 tt -124.83 140.49 47.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.126 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -107.66 119.96 5.95 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.448 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.639 ' CE2' HD11 ' A' ' 46' ' ' ILE . 3.5 p90 -123.93 168.2 13.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.794 0.331 . . . . 0.0 110.918 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -100.15 173.4 6.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 29.7 tttm -89.18 124.38 34.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.66 37.17 2.64 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.482 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.5 m -133.59 174.87 12.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.877 0.37 . . . . 0.0 111.167 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 60.9 m -109.41 133.48 53.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.114 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.535 HG21 HD22 ' A' ' 60' ' ' LEU . 35.9 m -127.72 141.84 45.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 -98.01 112.22 24.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.891 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.572 ' HA ' HG22 ' A' ' 46' ' ' ILE . 64.2 t -78.37 108.49 11.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.119 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.489 HG22 ' HG2' ' A' ' 37' ' ' ARG . 59.4 mt -75.97 -62.85 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.092 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.489 ' HG2' HG22 ' A' ' 36' ' ' ILE . 36.6 mmt180 -117.77 172.44 7.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.49 ' HE3' ' CZ3' ' A' ' 44' ' ' TRP . 54.4 mttp -142.52 138.15 30.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.939 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -122.4 166.3 14.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.912 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.7 tt -95.74 -45.84 6.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.904 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -43.22 -47.09 6.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.839 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 144.87 44.79 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.441 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.407 ' CZ3' ' HB3' ' A' ' 54' ' ' TRP . 16.8 m95 -142.3 126.96 18.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.843 0.354 . . . . 0.0 110.893 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.49 ' CZ3' ' HE3' ' A' ' 38' ' ' LYS . 7.6 m0 -125.53 110.01 13.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.941 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.409 ' CE2' ' HB3' ' A' ' 52' ' ' GLU . 2.5 t80 -69.5 121.95 18.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.864 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.639 HD11 ' CE2' ' A' ' 27' ' ' PHE . 23.3 pt -132.0 161.59 41.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.146 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 45.4 ttt180 -118.3 122.53 43.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.878 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.491 ' CZ ' ' HG ' ' A' ' 49' ' ' LEU . 27.6 t80 -136.19 132.13 35.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.926 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.491 ' HG ' ' CZ ' ' A' ' 48' ' ' TYR . 76.3 mt 59.96 39.15 20.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.928 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 62.42 33.17 85.5 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.463 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 20.2 ttmt -139.38 131.65 28.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.747 0.308 . . . . 0.0 110.9 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.409 ' HB3' ' CE2' ' A' ' 45' ' ' TYR . 20.4 mt-10 -96.73 131.12 43.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.898 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -157.78 169.35 34.56 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.484 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.407 ' HB3' ' CZ3' ' A' ' 43' ' ' TRP . 42.4 m95 -86.14 122.27 29.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.796 0.331 . . . . 0.0 110.959 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -124.91 144.14 46.03 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.575 0.702 . . . . 0.0 111.07 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 125.87 12.61 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.689 2.259 . . . . 0.0 112.315 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.47 -18.61 11.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.083 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 72.5 m -69.9 -35.56 74.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.791 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -90.09 21.54 3.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.906 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.535 HD22 HG21 ' A' ' 33' ' ' VAL . 11.1 mt -139.39 136.01 34.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.96 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.464 ' C ' ' CD2' ' A' ' 11' ' ' TYR . 61.2 pttt -133.81 133.89 42.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.908 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.471 ' N ' ' CD2' ' A' ' 11' ' ' TYR . 21.1 tttt -51.12 124.88 12.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.462 ' HB2' HG23 ' A' ' 12' ' ' VAL . . . -77.74 130.17 36.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.077 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.0 ptmt -105.6 88.98 2.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -126.78 111.96 14.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.3 m 59.88 27.55 16.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.882 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -78.91 -86.35 0.52 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.462 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 1.63 4.31 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.7 2.267 . . . . 0.0 112.296 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.4 m -67.75 72.58 0.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 69.7 m -83.96 125.5 32.1 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.853 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.506 -179.949 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.509 -0.237 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -155.63 152.89 29.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.923 0.392 . . . . 0.0 110.851 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.6 m -84.32 148.22 26.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.879 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.97 -116.97 0.77 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.486 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.1 p -87.2 46.26 1.36 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.926 0.393 . . . . 0.0 110.902 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.4 p -115.0 -44.02 3.06 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.872 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.79 135.07 7.31 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.54 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -100.87 -61.8 1.32 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.798 0.332 . . . . 0.0 110.942 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.1 mp0 -102.97 110.8 22.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.895 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 34.8 mttt -82.38 112.41 19.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.82 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.579 ' CE1' ' HD2' ' A' ' 62' ' ' LYS . 4.1 m-85 -107.36 174.41 5.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.971 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.2 p -133.4 152.53 35.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.09 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.54 HG21 ' CD1' ' A' ' 27' ' ' PHE . 42.9 p -98.35 115.17 27.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.095 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.623 HG23 ' HG3' ' A' ' 15' ' ' GLN . 20.4 m -87.04 -7.51 10.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.151 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.623 ' HG3' HG23 ' A' ' 14' ' ' VAL . 37.3 mt-30 -151.83 145.85 18.13 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.591 0.71 . . . . 0.0 110.897 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 150.8 68.16 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.625 2.217 . . . . 0.0 112.353 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -133.31 149.13 51.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 73.8 m -114.43 116.59 29.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.12 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.464 ' HB3' ' N ' ' A' ' 26' ' ' GLY . 79.0 p -79.0 125.29 29.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.858 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 16.6 mp0 -83.46 -41.39 18.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.912 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.7 m -135.49 167.74 20.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.841 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.429 ' HG3' ' N ' ' A' ' 23' ' ' ASP . 9.9 ptpp? -48.65 -41.58 31.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.928 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.429 ' N ' ' HG3' ' A' ' 22' ' ' LYS . 0.7 OUTLIER -45.09 -43.06 9.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.914 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -100.06 157.68 16.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 14.8 tt -123.24 134.96 64.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.096 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.464 ' N ' ' HB3' ' A' ' 19' ' ' SER . . . -98.33 130.51 10.25 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.538 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.54 ' CD1' HG21 ' A' ' 13' ' ' THR . 3.4 p90 -130.36 178.55 6.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.791 0.329 . . . . 0.0 110.899 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.458 ' O ' HG22 ' A' ' 31' ' ' VAL . 8.3 pt-20 -110.16 170.34 8.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.865 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 57.7 tttt -86.98 123.76 32.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.95 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.0 35.7 3.12 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.467 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.458 HG22 ' O ' ' A' ' 28' ' ' GLU . 4.9 m -132.16 160.69 42.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.833 0.349 . . . . 0.0 111.13 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 91.2 m -91.74 143.5 26.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.166 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 31.1 m -135.64 152.78 31.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.208 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 21.2 mp0 -109.58 108.4 18.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.861 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 63.2 t -75.31 103.09 2.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.112 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.616 HG22 ' HG2' ' A' ' 37' ' ' ARG . 56.5 mt -74.1 -63.7 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.165 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.616 ' HG2' HG22 ' A' ' 36' ' ' ILE . 41.3 mmm-85 -120.03 163.02 18.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.518 ' HG2' ' CD2' ' A' ' 44' ' ' TRP . 21.8 mtmt -132.41 132.88 43.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.855 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -117.02 159.91 21.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.913 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -86.18 -49.01 8.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.954 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -41.17 -52.51 3.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 148.29 36.12 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.492 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 9.9 m95 -131.94 117.12 18.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.735 0.302 . . . . 0.0 110.903 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.518 ' CD2' ' HG2' ' A' ' 38' ' ' LYS . 9.1 m0 -116.39 108.0 15.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.959 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.562 ' CE2' ' HB3' ' A' ' 52' ' ' GLU . 3.0 t80 -67.35 114.35 5.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.973 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 7.2 pt -120.81 163.75 18.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.09 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.509 ' HB2' HD11 ' A' ' 36' ' ' ILE . 45.3 ttt85 -123.55 119.99 31.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.859 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.493 ' CE1' ' HG ' ' A' ' 49' ' ' LEU . 24.5 t80 -131.81 129.19 40.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 -179.825 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.493 ' HG ' ' CE1' ' A' ' 48' ' ' TYR . 77.9 mt 61.38 37.85 16.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.961 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 67.81 22.58 73.82 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.507 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 42.8 mmtt -127.1 134.62 50.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.806 0.336 . . . . 0.0 110.875 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.562 ' HB3' ' CE2' ' A' ' 45' ' ' TYR . 31.8 mt-10 -103.98 128.53 51.53 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.87 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -152.14 174.66 31.08 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.488 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 16.3 m95 -92.67 119.77 32.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.761 0.315 . . . . 0.0 110.946 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -125.79 144.66 49.09 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.608 0.718 . . . . 0.0 111.075 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 117.94 5.38 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.625 2.216 . . . . 0.0 112.339 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.505 ' HA ' HD12 ' A' ' 60' ' ' LEU . . . -49.09 -20.91 0.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.105 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 67.8 m -61.33 -41.01 96.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.569 ' CD2' ' HB2' ' A' ' 15' ' ' GLN . 2.6 m-85 -90.97 26.66 2.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.946 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.505 HD12 ' HA ' ' A' ' 57' ' ' ALA . 15.4 mt -139.95 144.66 37.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.855 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.5 ptmt -152.88 135.73 15.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.579 ' HD2' ' CE1' ' A' ' 11' ' ' TYR . 12.9 tptm -52.85 119.82 5.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -92.73 178.13 5.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.127 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.3 pttm -130.62 114.75 15.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.976 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -75.37 158.25 33.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.2 t -75.23 -55.2 5.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 66.99 -158.31 50.54 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.445 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 114.0 3.56 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.62 2.214 . . . . 0.0 112.325 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 42.8 t -73.89 -47.64 36.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 13.8 m -97.63 127.28 43.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.949 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.254 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.515 179.995 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.6 p -88.23 97.63 11.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.91 0.386 . . . . 0.0 110.852 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.6 t -100.75 82.91 2.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.874 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.31 -136.43 17.33 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.498 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.1 p -93.02 147.32 22.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.938 0.399 . . . . 0.0 110.85 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -152.63 130.04 11.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.73 145.41 1.1 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.488 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -109.1 -52.05 2.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.891 0.377 . . . . 0.0 110.856 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -123.67 124.76 43.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.852 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 49.5 mttt -88.98 121.16 31.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.54 ' CD1' HG21 ' A' ' 35' ' ' VAL . 10.9 m-85 -106.85 166.8 10.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 79.9 t -124.71 138.73 53.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.101 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.545 HG22 HD23 ' A' ' 60' ' ' LEU . 19.3 p -87.55 142.63 27.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.5 m -114.64 -6.08 11.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.06 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 93.4 mm-40 -155.49 143.98 14.62 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.56 0.695 . . . . 0.0 110.991 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 128.89 16.71 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.718 2.279 . . . . 0.0 112.323 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.424 ' CE1' ' HG3' ' A' ' 56' ' ' PRO . 62.5 t80 -109.55 133.02 53.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.967 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 90.0 m -105.39 98.85 8.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.172 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.424 ' HB3' ' C ' ' A' ' 25' ' ' ILE . 21.4 p -81.43 124.61 29.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.875 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -112.38 27.24 9.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.876 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.1 p -150.45 133.52 16.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.897 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.1 ptpt -50.5 -39.2 47.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.935 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.45 -28.94 69.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -101.98 164.6 11.63 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.424 ' C ' ' HB3' ' A' ' 19' ' ' SER . 13.1 tt -130.45 144.36 38.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.082 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -111.51 136.25 13.43 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.482 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.2 p90 -130.93 177.7 7.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.783 0.325 . . . . 0.0 110.92 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.618 ' O ' HG22 ' A' ' 31' ' ' VAL . 30.7 mt-10 -108.96 165.37 11.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 42.1 tttt -83.32 129.34 34.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 99.33 25.8 9.18 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.502 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.618 HG22 ' O ' ' A' ' 28' ' ' GLU . 26.1 m -120.71 -177.77 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.979 0.418 . . . . 0.0 111.118 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.4 m -115.0 142.15 47.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.162 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.769 HG21 HD22 ' A' ' 60' ' ' LEU . 36.0 m -133.81 160.72 41.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.143 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -119.43 115.67 24.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.91 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.54 HG21 ' CD1' ' A' ' 11' ' ' TYR . 42.1 t -81.64 107.87 14.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.094 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.448 HG22 ' HG2' ' A' ' 37' ' ' ARG . 77.2 mt -76.62 -67.85 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.106 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.448 ' HG2' HG22 ' A' ' 36' ' ' ILE . 17.7 mmt180 -119.57 164.58 15.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.827 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -134.25 151.88 51.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.844 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.472 ' O ' ' N ' ' A' ' 41' ' ' GLU . 0.7 OUTLIER -168.63 170.13 9.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.462 ' O ' ' N ' ' A' ' 42' ' ' GLY . 4.0 mm? 37.0 30.05 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 39' ' ' ASN . 19.6 mm-40 35.06 33.57 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 40' ' ' LEU . . . -154.3 -46.94 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.501 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.419 ' O ' ' ND2' ' A' ' 39' ' ' ASN . 56.3 m95 -92.05 105.37 17.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.714 0.292 . . . . 0.0 110.874 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.633 ' O ' HG23 ' A' ' 46' ' ' ILE . 8.2 m0 -117.8 107.86 14.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.407 ' CE2' ' HB3' ' A' ' 52' ' ' GLU . 12.3 t80 -55.47 105.9 0.21 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.633 HG23 ' O ' ' A' ' 44' ' ' TRP . 7.1 pt -107.08 175.61 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.173 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 12.2 ttm180 -133.22 131.68 40.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.899 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.462 ' CZ ' ' HG ' ' A' ' 49' ' ' LEU . 26.3 t80 -150.28 147.62 27.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.962 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.462 ' HG ' ' CZ ' ' A' ' 48' ' ' TYR . 11.3 mt 53.62 40.26 31.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.928 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 60.05 32.95 77.31 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.414 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.412 ' O ' ' CD1' ' A' ' 25' ' ' ILE . 39.7 mtmt -149.39 129.32 13.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.784 0.326 . . . . 0.0 110.873 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.407 ' HB3' ' CE2' ' A' ' 45' ' ' TYR . 5.5 mt-10 -96.16 140.77 30.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -163.64 178.27 39.21 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.48 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 78.0 m95 -86.78 135.03 33.51 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.758 0.313 . . . . 0.0 110.931 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -147.76 144.01 18.6 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.58 0.705 . . . . 0.0 111.123 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.424 ' HG3' ' CE1' ' A' ' 17' ' ' TYR . 54.4 Cg_endo -69.66 117.86 5.33 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.668 2.245 . . . . 0.0 112.438 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.528 ' HB1' ' CH2' ' A' ' 44' ' ' TRP . . . -53.81 -16.88 1.96 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.118 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.9 t -63.27 -30.24 71.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -92.21 12.23 23.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.902 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.769 HD22 HG21 ' A' ' 33' ' ' VAL . 10.0 mt -133.04 146.36 51.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.927 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.16 131.36 34.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 29.2 tttt -57.59 118.0 4.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.77 176.72 0.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.092 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -122.64 82.41 1.98 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -53.42 106.02 0.16 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.8 m -96.8 125.05 40.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.839 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -166.76 -95.03 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.494 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -13.4 34.7 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.67 2.247 . . . . 0.0 112.347 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.9 m 52.89 35.53 19.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.759 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 87.9 p -90.23 94.55 9.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.429 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.578 -179.94 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.449 -0.261 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.5 t -68.98 -57.69 5.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.915 0.388 . . . . 0.0 110.87 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.6 m -45.82 154.98 0.19 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.861 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.34 -109.59 2.36 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.433 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.4 p -104.9 80.7 1.66 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.881 0.372 . . . . 0.0 110.837 -179.667 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 m -131.05 81.02 1.97 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.92 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.62 -168.46 15.98 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.448 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 -113.43 -46.5 3.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.778 0.323 . . . . 0.0 110.905 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -143.42 111.13 5.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.909 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 27.5 mttp -81.93 111.76 18.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.408 ' CE1' ' HG2' ' A' ' 62' ' ' LYS . 6.3 m-85 -102.62 -179.77 4.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 81.3 t -132.07 144.32 37.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.152 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.412 HG22 HD23 ' A' ' 60' ' ' LEU . 57.2 p -94.46 130.67 40.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.144 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.8 m -100.16 -11.45 8.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.071 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.561 ' HB2' ' CD2' ' A' ' 59' ' ' TYR . 14.9 mm-40 -147.26 144.24 19.33 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.528 0.68 . . . . 0.0 110.939 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 146.42 60.2 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.724 2.283 . . . . 0.0 112.3 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -134.44 137.78 44.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.993 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 86.4 m -113.5 124.21 51.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.102 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 34.5 p -70.88 140.95 51.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 42.3 mm-40 -104.24 -47.95 4.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.903 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.8 t -110.71 -176.51 2.99 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.36 33.97 0.63 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.905 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -128.59 -30.28 2.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.5 mp0 -98.17 157.4 16.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 15.7 tt -120.69 138.03 52.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.115 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -99.26 123.53 7.93 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.511 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.405 ' CD1' HG21 ' A' ' 13' ' ' THR . 5.0 p90 -123.42 151.35 42.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.804 0.335 . . . . 0.0 110.882 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.487 ' O ' HG22 ' A' ' 31' ' ' VAL . 45.9 mt-10 -88.32 168.8 12.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.891 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 28.0 tttm -86.75 127.61 34.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 99.17 33.35 5.48 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.487 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.487 HG22 ' O ' ' A' ' 28' ' ' GLU . 15.6 m -127.58 173.72 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.904 0.383 . . . . 0.0 111.134 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 97.5 m -110.03 138.54 46.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.176 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 29.5 m -129.91 168.41 23.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.149 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -122.4 106.54 11.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.691 ' HA ' HG22 ' A' ' 46' ' ' ILE . 58.6 t -71.07 94.58 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.059 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.684 HG22 ' HG3' ' A' ' 37' ' ' ARG . 44.9 mt -65.78 -57.04 12.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.082 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.684 ' HG3' HG22 ' A' ' 36' ' ' ILE . 82.7 mtp180 -140.69 111.39 6.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.834 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.527 ' HB2' ' CE2' ' A' ' 44' ' ' TRP . 12.0 pttt -101.53 122.66 44.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.875 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 64.2 m-80 -96.47 173.7 7.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.674 ' H ' HD23 ' A' ' 40' ' ' LEU . 0.5 OUTLIER -96.89 -32.73 11.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.968 179.906 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 19.7 mp0 -46.81 -60.6 2.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.837 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 161.01 35.8 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.491 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.487 ' HB3' ' CZ3' ' A' ' 54' ' ' TRP . 24.4 m95 -145.24 125.37 13.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.763 0.316 . . . . 0.0 110.945 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.527 ' CE2' ' HB2' ' A' ' 38' ' ' LYS . 11.3 m0 -119.12 111.29 18.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.964 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.499 ' CE2' ' HB3' ' A' ' 52' ' ' GLU . 4.1 t80 -74.75 123.98 25.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 -179.833 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.691 HG22 ' HA ' ' A' ' 35' ' ' VAL . 18.7 pt -134.55 168.68 23.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.158 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.513 ' HB2' HD11 ' A' ' 36' ' ' ILE . 32.5 ttt180 -126.29 117.45 23.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.941 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.592 ' CE2' HD12 ' A' ' 49' ' ' LEU . 14.9 t80 -130.49 132.47 45.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 -179.797 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.592 HD12 ' CE2' ' A' ' 48' ' ' TYR . 16.0 mt 62.33 36.34 14.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.894 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 65.13 34.18 88.99 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.478 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.45 134.01 28.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.665 0.269 . . . . 0.0 110.891 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.499 ' HB3' ' CE2' ' A' ' 45' ' ' TYR . 9.8 mt-10 -100.65 133.08 45.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.899 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -156.26 173.11 34.15 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.439 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.487 ' CZ3' ' HB3' ' A' ' 43' ' ' TRP . 37.4 m95 -87.44 116.71 25.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.719 0.295 . . . . 0.0 110.924 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -117.95 144.73 35.22 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.561 0.696 . . . . 0.0 111.134 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 146.24 59.97 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.714 2.276 . . . . 0.0 112.335 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.526 ' HB2' ' CD1' ' A' ' 44' ' ' TRP . . . -84.32 23.5 1.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.097 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 12.8 t -114.4 -22.51 9.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.561 ' CD2' ' HB2' ' A' ' 15' ' ' GLN . 7.4 m-85 -104.88 27.47 8.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.879 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.412 HD23 HG22 ' A' ' 13' ' ' THR . 16.1 mt -136.9 144.18 43.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.875 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.63 131.72 26.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.408 ' HG2' ' CE1' ' A' ' 11' ' ' TYR . 5.4 tmtt? -57.73 117.58 4.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -45.52 -63.4 0.96 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.078 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt 53.36 42.14 32.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.986 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -66.24 -54.55 23.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.2 m -54.15 168.66 0.21 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.867 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -102.55 146.32 16.74 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.494 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.68 158.2 57.89 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.679 2.252 . . . . 0.0 112.41 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 31.0 m -117.34 175.87 5.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.828 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 71.6 m -90.51 105.51 17.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.803 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.482 179.991 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.398 -0.281 . . . . 0.0 112.398 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -132.2 101.39 5.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.891 0.377 . . . . 0.0 110.854 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.3 t -137.99 124.72 21.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.834 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.11 -117.02 0.72 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.525 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.8 p -134.14 134.61 42.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.843 0.354 . . . . 0.0 110.877 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -57.85 106.35 0.35 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.87 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.26 139.85 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.441 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -101.15 -39.18 7.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.821 0.343 . . . . 0.0 110.941 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -110.96 110.7 21.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.825 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.1 mtmm -100.82 124.77 46.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.405 ' CD2' ' N ' ' A' ' 62' ' ' LYS . 6.8 m-85 -111.3 178.18 4.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.907 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 60.1 t -130.35 145.12 36.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.113 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.9 p -92.26 129.19 38.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.094 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.422 ' CG1' ' HD3' ' A' ' 61' ' ' LYS . 8.4 m -101.27 -9.47 9.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.161 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -150.75 144.01 16.88 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.625 0.726 . . . . 0.0 110.877 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.88 138.96 38.67 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.635 2.223 . . . . 0.0 112.281 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -123.75 133.55 53.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.934 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 92.7 m -102.74 119.85 39.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.185 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 68.9 p -81.66 121.98 27.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 20.4 mp0 -84.34 -29.88 25.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.903 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.0 m -133.83 156.92 47.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.829 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.2 ptmt -49.86 -43.06 48.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -44.93 -36.82 3.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -99.09 158.96 15.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.439 ' O ' HG23 ' A' ' 25' ' ' ILE . 14.9 tt -122.02 129.24 75.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.081 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -92.81 125.26 8.08 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.481 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -126.01 167.61 15.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.789 0.328 . . . . 0.0 110.923 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -104.1 172.54 6.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 36.9 tttt -88.93 119.21 29.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 110.45 34.61 2.25 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.472 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.1 m -131.43 170.7 19.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.915 0.388 . . . . 0.0 111.171 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.9 m -105.91 140.29 39.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.149 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.63 HG21 HD22 ' A' ' 60' ' ' LEU . 17.8 m -132.25 149.32 32.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.14 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.441 ' OE1' ' NH2' ' A' ' 47' ' ' ARG . 17.1 mt-10 -107.8 113.53 26.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 33.8 t -78.07 116.23 21.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.13 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 13.7 mt -89.02 -53.8 8.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.133 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 13.4 mmm180 -135.03 105.41 6.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -93.57 132.27 38.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -101.03 -175.54 2.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.969 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.453 ' O ' ' C ' ' A' ' 41' ' ' GLU . 22.0 mt -70.56 86.65 0.64 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 40' ' ' LEU . 50.9 mt-10 34.37 52.2 0.5 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -139.81 -64.52 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.463 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.51 ' HB3' ' CZ3' ' A' ' 54' ' ' TRP . 34.4 m95 -136.3 109.63 7.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.811 0.339 . . . . 0.0 110.894 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.712 ' CD1' ' HB2' ' A' ' 57' ' ' ALA . 23.1 m0 -106.52 104.48 14.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.949 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.505 ' CE2' ' HB3' ' A' ' 52' ' ' GLU . 4.7 t80 -63.43 114.49 3.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.945 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.407 HG12 ' HB3' ' A' ' 55' ' ' ALA . 22.1 pt -124.05 161.93 26.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.133 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.441 ' NH2' ' OE1' ' A' ' 34' ' ' GLU . 3.0 ttp-105 -121.77 127.36 50.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.49 ' CE1' ' HG ' ' A' ' 49' ' ' LEU . 15.9 t80 -137.93 133.18 33.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.922 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.49 ' HG ' ' CE1' ' A' ' 48' ' ' TYR . 14.4 mt 62.4 34.75 15.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.85 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 68.15 31.79 75.41 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.436 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.7 ttpp -138.77 131.01 28.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.723 0.297 . . . . 0.0 110.882 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.505 ' HB3' ' CE2' ' A' ' 45' ' ' TYR . 11.0 mt-10 -98.86 126.67 44.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.879 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -148.87 177.13 27.31 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.471 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.51 ' CZ3' ' HB3' ' A' ' 43' ' ' TRP . 28.7 m95 -89.09 125.84 35.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.803 0.335 . . . . 0.0 110.944 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.407 ' HB3' HG12 ' A' ' 46' ' ' ILE . . . -133.02 145.05 55.36 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.576 0.703 . . . . 0.0 111.156 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 147.26 62.7 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.674 2.249 . . . . 0.0 112.35 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.712 ' HB2' ' CD1' ' A' ' 44' ' ' TRP . . . -84.62 23.34 1.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.089 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 65.5 m -112.39 -28.95 7.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.836 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -96.19 26.22 4.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.967 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.63 HD22 HG21 ' A' ' 33' ' ' VAL . 20.9 mt -140.26 140.72 35.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.937 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.422 ' HD3' ' CG1' ' A' ' 14' ' ' VAL . 16.4 pttp -132.07 132.82 43.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.405 ' N ' ' CD2' ' A' ' 11' ' ' TYR . 31.1 tttm -53.0 123.34 11.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 179.804 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.03 -35.88 69.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.09 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.99 87.82 2.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -51.95 101.79 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.861 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 7.4 t -39.99 -46.42 2.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -60.78 -171.34 0.71 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.469 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 134.14 27.21 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.676 2.251 . . . . 0.0 112.297 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 51.1 m -49.9 175.49 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 77.8 p -130.8 120.62 24.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.878 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.386 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.518 -179.923 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.9 p -72.42 -48.09 44.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.9 0.381 . . . . 0.0 110.861 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.5 m -65.97 -59.79 3.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.854 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 56.07 63.89 4.89 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.489 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.8 p -162.46 159.63 25.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.868 0.366 . . . . 0.0 110.893 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 t 54.79 44.08 29.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.833 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.47 73.48 0.55 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.485 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -40.17 -47.05 2.33 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.824 0.345 . . . . 0.0 110.911 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 49.1 mm-40 -146.77 120.21 9.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.901 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.921 ' HE2' HG21 ' A' ' 32' ' ' THR . 34.5 mtpt -78.13 112.05 14.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.933 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.479 ' CD1' HG21 ' A' ' 35' ' ' VAL . 6.5 m-85 -100.65 177.63 4.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.939 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.757 HG23 ' HB2' ' A' ' 63' ' ' ALA . 96.4 t -130.24 142.77 42.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.07 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.454 HG21 ' CD1' ' A' ' 27' ' ' PHE . 57.0 p -93.98 120.96 34.96 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.142 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.8 m -87.62 -12.72 10.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.099 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -148.15 145.06 19.7 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.599 0.714 . . . . 0.0 110.939 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.79 151.53 68.9 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.638 2.225 . . . . 0.0 112.327 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -128.15 148.86 50.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 10.5 m -117.64 105.31 11.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.102 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.428 ' OG ' ' N ' ' A' ' 25' ' ' ILE . 2.3 m -96.16 138.66 33.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.845 -179.822 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -125.31 25.01 7.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.8 m -162.76 141.12 8.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.0 pttt -44.58 -49.5 10.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -47.2 -38.6 12.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.853 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -100.64 158.39 15.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.428 ' N ' ' OG ' ' A' ' 19' ' ' SER . 14.6 tt -132.28 135.06 58.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.07 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.412 ' N ' ' HB2' ' A' ' 19' ' ' SER . . . -104.39 129.42 9.84 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.494 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.729 ' CE2' HD11 ' A' ' 46' ' ' ILE . 1.9 p90 -130.85 170.89 13.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.829 0.347 . . . . 0.0 110.855 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -99.66 178.89 4.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.967 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 28.6 tttm -94.21 125.0 38.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 103.13 38.88 2.77 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.449 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 6.3 m -133.48 171.21 18.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.895 0.379 . . . . 0.0 111.139 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.921 HG21 ' HE2' ' A' ' 10' ' ' LYS . 95.8 m -106.36 134.1 50.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.17 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.572 HG21 HD22 ' A' ' 60' ' ' LEU . 35.2 m -121.76 147.72 25.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.123 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 80.4 mt-10 -99.47 109.19 21.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.925 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.479 HG21 ' CD1' ' A' ' 11' ' ' TYR . 47.5 t -75.0 106.31 4.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 47.0 mt -80.93 -64.09 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.119 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 7.4 mtp85 -118.36 170.11 9.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.542 ' HD3' ' CH2' ' A' ' 44' ' ' TRP . 36.4 mtmt -142.73 138.54 30.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.922 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -120.7 179.75 4.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.852 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 41' ' ' GLU . 5.2 mp -98.06 -58.53 1.96 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.928 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 40' ' ' LEU . 3.2 tt0 -34.37 -56.75 0.51 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 152.49 47.83 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.498 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.55 ' CZ3' ' HB3' ' A' ' 54' ' ' TRP . 36.8 m95 -136.41 125.51 24.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.795 0.331 . . . . 0.0 110.846 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.542 ' CH2' ' HD3' ' A' ' 38' ' ' LYS . 8.3 m0 -123.78 106.36 10.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.448 ' CE2' ' HB3' ' A' ' 52' ' ' GLU . 2.6 t80 -65.44 117.32 7.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.938 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.729 HD11 ' CE2' ' A' ' 27' ' ' PHE . 14.2 pt -126.14 163.64 27.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.182 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 38.4 ttt180 -121.99 119.85 32.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.837 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.484 ' CE2' HD12 ' A' ' 49' ' ' LEU . 44.1 t80 -134.42 131.48 38.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.014 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.484 HD12 ' CE2' ' A' ' 48' ' ' TYR . 13.2 mt 62.51 36.39 14.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.939 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 66.83 30.35 76.02 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.492 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.6 mtpm? -138.5 129.95 27.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.765 0.317 . . . . 0.0 110.91 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.448 ' HB3' ' CE2' ' A' ' 45' ' ' TYR . 2.0 mp0 -100.01 119.73 38.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -140.8 -177.7 16.44 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.458 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.55 ' HB3' ' CZ3' ' A' ' 43' ' ' TRP . 33.7 m95 -96.61 131.41 43.29 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.845 0.355 . . . . 0.0 110.929 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -140.63 144.28 35.69 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.606 0.717 . . . . 0.0 111.073 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 129.28 17.27 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.694 2.263 . . . . 0.0 112.386 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.14 -19.38 7.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.087 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 62.9 m -67.11 -35.97 80.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.828 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.466 ' O ' HD23 ' A' ' 60' ' ' LEU . 8.9 m-85 -88.62 22.61 2.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.572 HD22 HG21 ' A' ' 33' ' ' VAL . 9.9 mt -141.94 137.15 31.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.8 ptmt -131.73 130.75 42.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.6 tttm -54.37 113.25 1.2 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.874 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.757 ' HB2' HG23 ' A' ' 12' ' ' VAL . . . -70.92 151.09 45.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.08 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.6 -177.21 3.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.861 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -126.89 152.09 47.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.935 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 38.7 t -46.64 108.08 0.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.711 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 174.7 146.15 5.59 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.512 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 175.01 8.67 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.646 2.231 . . . . 0.0 112.371 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 32.3 m -101.04 -53.63 2.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 62.6 m -121.51 131.65 54.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.806 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.46 -179.984 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.1 p -103.77 128.69 51.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.839 0.352 . . . . 0.0 110.828 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.6 p -75.0 153.62 38.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.817 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.7 60.58 0.55 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.422 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.9 m -89.7 86.22 6.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.952 0.406 . . . . 0.0 110.882 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.2 t -170.41 135.6 1.25 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.875 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.77 94.99 0.79 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.487 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -47.01 -47.71 22.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.838 0.352 . . . . 0.0 110.917 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -145.58 123.2 11.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.876 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 78.3 mttt -85.83 116.12 23.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.959 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.512 ' CE2' ' N ' ' A' ' 62' ' ' LYS . 5.9 m-85 -104.69 -177.99 3.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.619 HG23 ' HB2' ' A' ' 63' ' ' ALA . 39.4 t -132.89 146.94 31.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.142 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 70.7 p -91.96 145.01 24.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.085 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.2 m -116.56 -9.1 12.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.154 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 36.3 mm-40 -154.56 144.05 15.24 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.622 0.725 . . . . 0.0 110.883 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 141.59 45.52 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.711 2.274 . . . . 0.0 112.293 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 41.7 t80 -128.52 140.13 51.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.4 m -110.87 118.75 36.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.211 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.446 ' OG ' ' N ' ' A' ' 25' ' ' ILE . 2.0 m -99.97 125.18 45.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -110.0 27.88 9.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 35.5 t -159.23 135.62 9.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.8 tttp -45.43 -39.27 6.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.843 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -58.84 -36.38 74.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.797 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -101.59 151.79 21.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.446 ' N ' ' OG ' ' A' ' 19' ' ' SER . 12.3 tt -120.86 141.17 42.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.126 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.426 ' N ' ' HB2' ' A' ' 19' ' ' SER . . . -103.62 126.73 8.9 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.506 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 21.7 p90 -128.38 172.4 11.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.819 0.342 . . . . 0.0 110.897 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -102.66 -176.02 2.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 35.1 tttt -102.15 115.93 31.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 112.79 27.44 3.78 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.513 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 6.0 m -120.28 173.58 6.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.901 0.381 . . . . 0.0 111.108 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 98.5 m -106.93 139.28 41.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.111 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.447 HG21 HD22 ' A' ' 60' ' ' LEU . 30.1 m -134.72 146.9 30.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.177 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -102.04 111.55 23.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.923 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.696 HG11 ' HD3' ' A' ' 38' ' ' LYS . 61.9 t -70.54 122.68 22.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.161 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.625 HD11 ' HB2' ' A' ' 47' ' ' ARG . 18.0 mt -101.64 -70.18 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.169 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 40.8 mmt180 -97.43 162.01 13.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.696 ' HD3' HG11 ' A' ' 35' ' ' VAL . 1.8 mmmm -143.27 122.74 13.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 67.9 m-20 -121.78 156.21 33.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.964 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 41.9 tp -79.25 -41.07 29.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -46.69 -51.4 16.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 143.32 40.65 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.462 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.579 ' HB3' ' CZ3' ' A' ' 54' ' ' TRP . 12.8 m95 -131.07 114.28 14.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.761 0.315 . . . . 0.0 110.871 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.569 ' CZ2' ' HE3' ' A' ' 38' ' ' LYS . 29.2 m0 -114.53 100.74 8.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.962 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.48 ' CE2' ' HB3' ' A' ' 52' ' ' GLU . 12.3 t80 -63.98 102.87 0.53 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.88 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.488 HG22 ' HA ' ' A' ' 35' ' ' VAL . 16.2 pt -109.09 168.92 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.099 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.625 ' HB2' HD11 ' A' ' 36' ' ' ILE . 24.6 ttp180 -128.01 117.26 21.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.802 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.566 ' CE2' HD12 ' A' ' 49' ' ' LEU . 20.0 t80 -125.6 126.24 44.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.566 HD12 ' CE2' ' A' ' 48' ' ' TYR . 28.3 mt 61.58 32.82 18.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.946 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.439 ' C ' ' HE3' ' A' ' 51' ' ' LYS . . . 79.16 -4.63 61.83 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.457 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.439 ' HE3' ' C ' ' A' ' 50' ' ' GLY . 0.0 OUTLIER -98.41 122.23 41.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.824 0.345 . . . . 0.0 110.891 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.48 ' HB3' ' CE2' ' A' ' 45' ' ' TYR . 34.1 mt-10 -98.94 129.3 45.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -153.93 -176.48 26.35 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.412 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.579 ' CZ3' ' HB3' ' A' ' 43' ' ' TRP . 51.5 m95 -96.88 131.88 43.2 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.789 0.328 . . . . 0.0 110.891 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -141.89 145.25 35.7 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.553 0.692 . . . . 0.0 111.062 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 122.41 9.1 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.72 2.28 . . . . 0.0 112.306 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -52.51 -19.9 2.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.126 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.8 t -64.58 -30.98 72.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.525 ' O ' HD23 ' A' ' 60' ' ' LEU . 19.7 m-85 -92.22 24.5 3.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.918 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.525 HD23 ' O ' ' A' ' 59' ' ' TYR . 9.1 mt -144.71 145.01 31.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.965 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.473 ' C ' ' CD2' ' A' ' 11' ' ' TYR . 42.9 pttt -138.65 133.67 32.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.831 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.512 ' N ' ' CE2' ' A' ' 11' ' ' TYR . 9.0 tttp -52.44 120.41 5.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.871 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.619 ' HB2' HG23 ' A' ' 12' ' ' VAL . . . -79.58 82.34 5.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.039 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -81.29 152.16 27.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.932 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -159.0 174.52 14.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.917 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 36.3 m 51.89 42.64 30.28 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -126.74 83.58 0.34 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.41 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.86 0.27 5.96 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.69 2.26 . . . . 0.0 112.28 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 60.3 p -139.33 126.73 21.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.0 t -116.44 109.95 17.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.865 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.495 179.998 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.0 t -147.35 145.78 29.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.97 0.414 . . . . 0.0 110.782 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.3 m -61.38 130.19 44.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.895 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.77 136.02 8.61 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.462 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.9 p -85.38 73.22 10.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.88 0.372 . . . . 0.0 110.924 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.5 m -146.55 167.37 23.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 8' ' ' GLU . . . 76.99 82.48 0.55 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.477 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 7' ' ' GLY . 6.8 pt-20 -34.77 -36.29 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.825 0.345 . . . . 0.0 110.909 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 7' ' ' GLY . 53.8 mt-10 -152.51 139.3 18.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.828 ' HE2' HG22 ' A' ' 32' ' ' THR . 15.8 mtpt -115.81 128.0 55.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -110.52 177.58 4.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 85.8 t -126.22 128.95 72.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.112 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.632 HG22 HD23 ' A' ' 60' ' ' LEU . 73.3 p -81.96 112.59 19.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.164 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.5 m -85.44 -11.94 11.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.136 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -144.2 144.84 27.35 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.605 0.716 . . . . 0.0 110.903 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 156.68 62.77 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.685 2.256 . . . . 0.0 112.322 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.411 ' CE1' ' HD3' ' A' ' 56' ' ' PRO . 53.4 t80 -133.75 143.63 48.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.961 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.418 ' O ' ' NE2' ' A' ' 20' ' ' GLN . 85.7 m -107.45 109.45 21.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.1 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.426 ' HB3' ' N ' ' A' ' 26' ' ' GLY . 78.1 p -69.5 101.47 1.6 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.418 ' NE2' ' O ' ' A' ' 18' ' ' THR . 27.2 mp0 -68.87 -36.29 77.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.4 t -140.54 163.16 33.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.877 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -49.68 -32.79 14.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -56.86 -37.53 71.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.847 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -100.09 154.98 17.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 13.5 tt -118.17 139.57 44.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.142 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.426 ' N ' ' HB3' ' A' ' 19' ' ' SER . . . -102.67 124.65 8.24 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.453 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.621 ' CE2' HD11 ' A' ' 46' ' ' ILE . 3.0 p90 -130.61 156.17 45.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.776 0.322 . . . . 0.0 110.871 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.447 ' O ' HG22 ' A' ' 31' ' ' VAL . 1.4 pm0 -85.34 168.46 14.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.88 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 54.7 tttt -88.74 114.36 25.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.892 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 121.0 22.07 3.02 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.499 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.447 HG22 ' O ' ' A' ' 28' ' ' GLU . 4.2 m -121.27 165.4 16.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.994 0.426 . . . . 0.0 111.059 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.828 HG22 ' HE2' ' A' ' 10' ' ' LYS . 49.5 m -104.59 134.61 47.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.164 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.56 HG21 HD22 ' A' ' 60' ' ' LEU . 28.9 m -121.22 173.35 7.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.109 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.402 ' CG ' ' HE3' ' A' ' 10' ' ' LYS . 36.6 mt-10 -117.32 108.82 16.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.407 HG11 ' CE3' ' A' ' 44' ' ' TRP . 19.3 t -78.13 106.51 8.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.167 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 24.9 mt -80.14 -57.96 4.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.147 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 36.2 mmt-85 -124.71 174.48 7.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.835 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 80.8 mttt -141.43 140.03 33.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.88 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -125.22 117.75 24.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.424 ' O ' ' C ' ' A' ' 41' ' ' GLU . 25.6 mt -44.4 -55.54 4.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.967 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 40' ' ' LEU . 41.0 mt-10 -36.48 -57.71 0.74 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 151.88 44.29 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.471 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.485 ' HB3' ' CZ3' ' A' ' 54' ' ' TRP . 13.1 m95 -139.41 108.86 6.15 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.763 0.316 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.407 ' CE3' HG11 ' A' ' 35' ' ' VAL . 12.0 m0 -111.34 104.75 13.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.902 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.551 ' CE2' ' HB3' ' A' ' 52' ' ' GLU . 3.5 t80 -63.85 116.27 5.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.952 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.621 HD11 ' CE2' ' A' ' 27' ' ' PHE . 11.7 pt -123.53 167.22 17.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.098 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 16.3 ttt180 -126.59 125.22 41.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.721 ' CE2' HD12 ' A' ' 49' ' ' LEU . 38.4 t80 -136.36 129.41 31.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.938 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.721 HD12 ' CE2' ' A' ' 48' ' ' TYR . 12.3 mt 61.97 38.63 14.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.927 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 65.59 36.36 92.35 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.509 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.6 mtmp? -143.81 126.18 15.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.862 0.363 . . . . 0.0 110.907 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.551 ' HB3' ' CE2' ' A' ' 45' ' ' TYR . 38.7 mt-10 -96.59 122.49 39.56 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -146.81 168.04 28.14 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.515 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.485 ' CZ3' ' HB3' ' A' ' 43' ' ' TRP . 63.6 m95 -80.82 129.88 34.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.709 0.29 . . . . 0.0 110.927 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -138.59 144.08 40.77 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.598 0.713 . . . . 0.0 111.113 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.411 ' HD3' ' CE1' ' A' ' 17' ' ' TYR . 53.1 Cg_endo -69.79 122.69 9.35 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.68 2.253 . . . . 0.0 112.292 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -52.51 -27.33 15.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.063 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.6 m -60.74 -28.32 68.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.854 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.402 ' CD1' ' HG2' ' A' ' 56' ' ' PRO . 2.9 m-85 -96.28 29.15 2.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.958 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.632 HD23 HG22 ' A' ' 13' ' ' THR . 9.8 mt -149.22 139.05 21.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.895 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.1 pttp -134.71 134.71 41.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.839 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.421 ' C ' ' HD3' ' A' ' 62' ' ' LYS . 5.6 tmtm? -49.85 112.42 0.66 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.37 177.24 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.082 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -98.33 139.06 34.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -129.55 145.85 51.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.822 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.6 t -61.78 -57.05 13.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.37 78.54 1.09 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.517 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -0.27 6.66 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.7 2.267 . . . . 0.0 112.39 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 16.7 t -51.92 -45.46 64.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.827 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 29.8 p -117.57 90.42 3.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.802 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.433 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.494 179.994 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.2 p -114.01 124.84 53.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.918 0.39 . . . . 0.0 110.804 -179.671 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.9 t -48.92 106.82 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.87 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.85 136.76 10.1 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.469 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 t -103.61 41.83 1.24 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.872 0.368 . . . . 0.0 110.881 -179.706 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.1 m -137.28 176.34 8.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.847 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.65 127.69 5.07 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.494 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -130.48 -55.98 1.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.786 0.327 . . . . 0.0 110.855 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -124.41 128.56 49.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 30.5 mttt -89.92 111.05 21.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.931 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.538 ' CE2' ' N ' ' A' ' 62' ' ' LYS . 5.0 m-85 -101.81 -178.1 3.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.938 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.7 p -139.69 144.05 29.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.032 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.508 HG22 HD23 ' A' ' 60' ' ' LEU . 41.1 p -91.31 132.21 36.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.136 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 18.1 m -101.43 -10.24 8.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.1 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 61.3 mm-40 -148.78 144.32 18.15 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.662 0.744 . . . . 0.0 110.914 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 142.24 47.51 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.694 2.262 . . . . 0.0 112.332 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -119.47 151.19 38.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.944 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 43.1 m -120.65 95.83 4.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.177 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.418 ' HB3' ' C ' ' A' ' 25' ' ' ILE . 65.9 p -67.83 138.93 56.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 92.8 mm-40 -99.55 -40.73 7.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 74.5 m -129.58 170.25 14.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.5 ptpp? -54.29 -42.81 70.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.878 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -43.25 -45.19 5.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.906 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -98.88 157.98 15.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.869 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.496 ' CD1' ' O ' ' A' ' 51' ' ' LYS . 13.7 tt -122.42 138.25 53.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.088 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -106.35 125.06 8.0 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.478 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.463 ' CD1' HG21 ' A' ' 13' ' ' THR . 1.7 p90 -126.29 171.72 10.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.824 0.345 . . . . 0.0 110.876 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.405 ' O ' HG22 ' A' ' 31' ' ' VAL . 12.6 mt-10 -101.79 173.09 6.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.941 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 31.6 tttm -90.51 126.15 35.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.937 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 101.73 30.17 5.93 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.455 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.405 HG22 ' O ' ' A' ' 28' ' ' GLU . 16.0 m -125.63 168.07 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.922 0.391 . . . . 0.0 111.11 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 80.4 m -99.38 143.01 30.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.155 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.577 HG21 HD22 ' A' ' 60' ' ' LEU . 27.0 m -136.36 157.69 37.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.16 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -116.05 115.28 25.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.654 ' HA ' HG22 ' A' ' 46' ' ' ILE . 58.6 t -78.43 103.28 5.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.109 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.407 HD11 ' HB2' ' A' ' 47' ' ' ARG . 41.4 mt -75.29 -64.3 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.1 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 47.2 mtt180 -132.83 112.3 11.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.525 ' HB2' ' CE2' ' A' ' 44' ' ' TRP . 8.1 pttm -106.75 148.2 28.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 18.8 m-20 -125.22 -176.87 3.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.886 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 11.6 mt -98.18 -42.58 7.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -38.15 -58.67 0.94 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.819 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 153.82 38.97 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.497 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.439 ' CE3' ' HB3' ' A' ' 54' ' ' TRP . 18.1 m95 -143.55 116.76 8.97 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.738 0.304 . . . . 0.0 110.954 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.525 ' CE2' ' HB2' ' A' ' 38' ' ' LYS . 14.9 m0 -116.76 112.51 21.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.946 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.525 ' CE2' ' HB3' ' A' ' 52' ' ' GLU . 3.6 t80 -75.58 123.12 24.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.963 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.654 HG22 ' HA ' ' A' ' 35' ' ' VAL . 11.3 pt -132.67 168.46 24.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.07 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.407 ' HB2' HD11 ' A' ' 36' ' ' ILE . 48.1 ttt180 -123.56 115.96 22.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.834 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.72 ' CE2' HD12 ' A' ' 49' ' ' LEU . 22.1 t80 -130.58 128.81 41.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.72 HD12 ' CE2' ' A' ' 48' ' ' TYR . 13.1 mt 62.7 41.02 9.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.875 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 60.61 35.98 90.53 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.47 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.496 ' O ' ' CD1' ' A' ' 25' ' ' ILE . 55.9 mttt -141.69 123.75 15.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.787 0.327 . . . . 0.0 110.847 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.525 ' HB3' ' CE2' ' A' ' 45' ' ' TYR . 2.1 mp0 -95.91 125.33 40.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.459 ' O ' ' CD1' ' A' ' 45' ' ' TYR . . . -150.49 -176.47 23.51 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.453 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.439 ' HB3' ' CE3' ' A' ' 43' ' ' TRP . 61.9 m95 -100.16 115.27 29.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.736 0.303 . . . . 0.0 110.964 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -122.65 142.82 38.45 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.543 0.687 . . . . 0.0 111.112 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 120.92 7.63 Favored 'Trans proline' 0 C--O 1.231 0.128 0 C-N-CA 122.685 2.256 . . . . 0.0 112.329 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -44.17 -33.15 1.43 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.092 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.0 m -49.22 -39.31 29.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.827 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.43 ' O ' HD23 ' A' ' 60' ' ' LEU . 5.9 m-85 -90.33 26.22 2.0 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.941 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.577 HD22 HG21 ' A' ' 33' ' ' VAL . 13.3 mt -146.74 152.53 38.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.829 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.49 ' C ' ' CD2' ' A' ' 11' ' ' TYR . 5.7 ptmm? -157.96 135.02 10.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.538 ' N ' ' CE2' ' A' ' 11' ' ' TYR . 58.6 tttt -48.81 123.3 6.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.934 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -99.51 111.84 24.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.07 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 17.7 ttpt -103.22 114.66 29.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -96.6 -58.96 1.92 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.864 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.3 t -143.37 147.34 34.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.822 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 167.09 -157.97 30.69 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.541 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.89 178.94 4.14 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.611 2.207 . . . . 0.0 112.266 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 57.2 m -125.66 167.05 15.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 50.1 m -87.81 136.33 33.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.955 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.463 -179.956 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -38.74 156.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.844 0.354 . . . . 0.0 110.849 -179.714 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -136.65 174.24 10.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.6 -171.15 23.36 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.472 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.0 p -119.77 130.7 55.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.863 0.363 . . . . 0.0 110.823 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.8 m -105.49 90.8 3.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.802 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.96 143.5 15.74 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.472 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -112.26 -46.36 3.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.834 0.35 . . . . 0.0 110.865 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -142.16 137.69 31.04 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.837 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 29.8 mttp -106.98 116.73 32.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.936 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -107.48 176.53 5.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.899 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 24.3 t -132.38 140.7 47.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.124 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 22.5 p -89.23 135.04 33.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.127 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.453 ' CG1' ' HD3' ' A' ' 61' ' ' LYS . 7.0 m -103.05 -16.13 7.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.113 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.427 ' HB2' ' CD2' ' A' ' 59' ' ' TYR . 41.9 mm-40 -143.68 146.54 35.51 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.599 0.714 . . . . 0.0 110.903 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.65 151.24 69.67 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.732 2.288 . . . . 0.0 112.343 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 84.6 t80 -134.55 142.27 46.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.031 0.443 . . . . 0.0 110.845 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 37.1 m -109.94 116.94 32.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.176 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.404 ' HB3' ' N ' ' A' ' 26' ' ' GLY . 96.7 p -76.87 123.71 26.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.1 mp0 -82.93 -46.16 13.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.97 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.2 m -124.48 154.26 40.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.836 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -45.29 -38.19 5.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.865 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -47.92 -40.81 23.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.857 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.9 mp0 -98.99 159.37 15.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.885 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 11.7 tt -121.06 142.53 36.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.131 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.404 ' N ' ' HB3' ' A' ' 19' ' ' SER . . . -109.15 127.82 8.71 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.606 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 4.7 p90 -124.54 172.83 8.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.779 0.323 . . . . 0.0 110.927 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.49 ' O ' HG22 ' A' ' 31' ' ' VAL . 13.4 mt-10 -104.11 167.98 9.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 56.3 tttt -85.55 121.27 28.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.928 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.78 32.13 3.96 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.518 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.49 HG22 ' O ' ' A' ' 28' ' ' GLU . 18.6 m -125.75 177.92 4.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.875 0.369 . . . . 0.0 111.126 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 51.5 m -111.53 142.67 43.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.434 HG12 ' HB2' ' A' ' 48' ' ' TYR . 30.8 m -139.78 149.1 22.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.121 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -103.14 117.69 35.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 83.0 t -79.9 110.69 15.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.158 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 45.0 mt -85.11 -63.9 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.067 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 22.4 mtp85 -127.28 107.9 10.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.455 ' HB2' ' CE2' ' A' ' 44' ' ' TRP . 11.9 pttp -97.89 134.28 41.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.9 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -101.33 -177.02 3.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.957 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.522 HD13 ' O ' ' A' ' 40' ' ' LEU . 0.2 OUTLIER -73.14 88.09 1.44 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 37.02 52.71 1.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.871 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -141.5 -60.46 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.504 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.545 ' HB3' ' CZ3' ' A' ' 54' ' ' TRP . 21.8 m95 -140.33 116.65 10.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.758 0.313 . . . . 0.0 110.943 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.706 ' CD1' ' HB2' ' A' ' 57' ' ' ALA . 14.5 m0 -112.36 103.91 12.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.447 ' CE1' ' C ' ' A' ' 53' ' ' GLY . 3.1 t80 -68.39 118.11 11.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.963 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 26.0 pt -122.35 170.94 11.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.132 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 14.9 ttm180 -127.86 116.36 20.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.478 ' CZ ' ' HG ' ' A' ' 49' ' ' LEU . 21.3 t80 -135.5 143.68 45.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.925 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.478 ' HG ' ' CZ ' ' A' ' 48' ' ' TYR . 11.3 mt 54.67 35.64 24.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.97 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 64.15 20.68 65.25 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.499 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.412 ' HA ' ' CE ' ' A' ' 51' ' ' LYS . 0.5 OUTLIER -125.41 136.02 52.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.804 0.335 . . . . 0.0 110.899 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -102.79 130.52 49.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.447 ' C ' ' CE1' ' A' ' 45' ' ' TYR . . . -154.73 177.09 32.23 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.474 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.545 ' CZ3' ' HB3' ' A' ' 43' ' ' TRP . 22.7 m95 -90.14 118.98 30.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.742 0.306 . . . . 0.0 110.99 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -119.48 144.13 36.03 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.606 0.717 . . . . 0.0 111.095 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.65 147.07 62.74 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.622 2.215 . . . . 0.0 112.431 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.706 ' HB2' ' CD1' ' A' ' 44' ' ' TRP . . . -85.37 22.94 1.4 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.15 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 39.8 t -112.45 -27.58 8.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.427 ' CD2' ' HB2' ' A' ' 15' ' ' GLN . 16.1 m-85 -98.51 26.99 5.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.925 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 18.1 mt -137.11 143.18 42.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.453 ' HD3' ' CG1' ' A' ' 14' ' ' VAL . 15.1 pttp -136.72 135.29 38.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.801 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.459 ' HD2' ' CB ' ' A' ' 64' ' ' LYS . 2.4 tmtt? -63.59 106.77 1.01 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 62' ' ' LYS . . . -34.41 -45.87 0.24 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.067 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.459 ' CB ' ' HD2' ' A' ' 62' ' ' LYS . 8.1 tptp -60.04 138.73 57.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.853 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -136.13 140.56 43.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.857 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 67' ' ' GLY . 17.1 p -64.82 88.11 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 -179.775 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 66' ' ' SER . . . 33.94 -96.33 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.49 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.433 ' N ' ' O ' ' A' ' 66' ' ' SER . 53.7 Cg_endo -69.73 159.37 53.69 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.696 2.264 . . . . 0.0 112.308 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.9 t -57.67 -43.02 84.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 27.9 t -142.07 129.88 21.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.88 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.51 179.983 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.0 m -113.64 90.16 3.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.839 0.352 . . . . 0.0 110.834 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 t -155.06 133.47 11.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.04 110.86 0.24 Allowed Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.517 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.1 p 43.51 41.7 3.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.908 0.385 . . . . 0.0 110.85 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 m -53.7 -57.05 12.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.807 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.91 91.27 1.68 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.551 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -92.12 -60.04 1.95 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.798 0.332 . . . . 0.0 110.913 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -135.15 106.8 6.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.88 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 39.8 mttt -88.36 111.69 22.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.944 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.594 ' CE1' ' HD2' ' A' ' 62' ' ' LYS . 3.6 m-85 -104.07 164.67 11.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.961 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.434 HG23 ' HB2' ' A' ' 63' ' ' ALA . 88.7 t -120.71 145.79 26.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.109 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 24.8 p -95.75 113.91 25.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.157 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.449 HG23 ' HG3' ' A' ' 15' ' ' GLN . 17.0 m -86.1 -8.1 11.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.121 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.498 ' HB2' ' CD2' ' A' ' 59' ' ' TYR . 37.3 mt-30 -150.48 145.23 18.23 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.678 0.752 . . . . 0.0 110.912 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 152.39 69.56 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.674 2.249 . . . . 0.0 112.361 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -133.8 131.72 39.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 22.5 m -99.28 111.17 23.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.127 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.459 ' HB3' ' N ' ' A' ' 26' ' ' GLY . 78.5 p -74.51 133.25 42.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.936 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 95.2 mm-40 -90.7 -30.18 17.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 22' ' ' LYS . 18.8 m -154.57 163.78 39.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.824 -179.802 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.449 ' O ' ' C ' ' A' ' 23' ' ' ASP . 0.7 OUTLIER -36.04 -59.73 0.59 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.899 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' A' ' 22' ' ' LYS . 13.6 p-10 -34.43 -43.21 0.16 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.888 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 -98.47 151.58 20.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.931 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.426 ' C ' ' HB3' ' A' ' 19' ' ' SER . 13.7 tt -122.61 135.03 64.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.073 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.459 ' N ' ' HB3' ' A' ' 19' ' ' SER . . . -102.43 133.68 11.49 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.478 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.4 ' CE2' HD11 ' A' ' 46' ' ' ILE . 3.6 p90 -138.19 168.28 20.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.83 0.348 . . . . 0.0 110.867 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -96.11 173.15 7.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 45.0 tttt -92.31 116.69 29.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 116.76 24.2 3.75 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.534 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 5.8 m -116.33 -178.38 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.901 0.381 . . . . 0.0 111.147 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 92.5 m -115.12 136.57 52.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.158 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.651 HG21 HD22 ' A' ' 60' ' ' LEU . 27.1 m -126.43 166.18 23.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.155 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -122.73 113.14 18.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.959 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.545 ' HA ' HG22 ' A' ' 46' ' ' ILE . 96.4 t -76.51 112.67 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.186 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 78.8 mt -88.89 -60.04 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.154 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 58.3 mtm180 -122.99 157.08 33.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.851 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 51.4 mttp -122.98 126.73 47.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.871 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.408 ' CB ' ' O ' ' A' ' 43' ' ' TRP . 4.1 t-20 -104.99 -179.23 3.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 52.2 mt -107.87 -19.21 13.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.937 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -93.8 49.78 1.38 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 48.5 46.18 29.5 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.483 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.408 ' O ' ' CB ' ' A' ' 39' ' ' ASN . 10.3 m95 -135.62 109.06 7.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.741 0.305 . . . . 0.0 110.907 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 11.8 m0 -115.73 106.17 13.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.523 ' CE2' ' HB3' ' A' ' 52' ' ' GLU . 3.7 t80 -62.53 116.96 5.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.545 HG22 ' HA ' ' A' ' 35' ' ' VAL . 10.3 pt -125.52 167.27 20.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.066 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 9.7 ttp180 -126.11 121.79 33.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.862 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.408 ' CE1' ' HG ' ' A' ' 49' ' ' LEU . 15.6 t80 -134.02 130.71 37.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.408 ' HG ' ' CE1' ' A' ' 48' ' ' TYR . 23.8 mt 61.13 37.77 17.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.95 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 65.19 35.16 91.32 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.491 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 15.4 ttmt -140.94 125.98 18.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.777 0.322 . . . . 0.0 110.907 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.523 ' HB3' ' CE2' ' A' ' 45' ' ' TYR . 41.7 mt-10 -95.89 125.14 40.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.918 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -147.49 -174.49 19.49 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.446 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 32.6 m95 -101.39 120.7 40.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.778 0.323 . . . . 0.0 110.926 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -127.45 144.13 49.81 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.544 0.687 . . . . 0.0 111.132 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 128.87 16.6 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.699 2.266 . . . . 0.0 112.309 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.75 -16.23 25.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.061 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.1 m -71.21 -25.25 62.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.813 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.498 ' CD2' ' HB2' ' A' ' 15' ' ' GLN . 4.3 m-85 -101.5 22.25 12.95 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.651 HD22 HG21 ' A' ' 33' ' ' VAL . 14.7 mt -138.35 137.2 37.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.91 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.75 131.76 39.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.594 ' HD2' ' CE1' ' A' ' 11' ' ' TYR . 15.8 tptm -57.72 120.5 8.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.434 ' HB2' HG23 ' A' ' 12' ' ' VAL . . . -77.28 75.21 3.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.076 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.1 pttp -111.54 74.75 0.88 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.954 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -51.66 119.74 4.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.904 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.6 t -137.14 158.54 44.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -103.08 -179.39 26.32 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.457 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -34.36 14.88 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.75 2.3 . . . . 0.0 112.304 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 28.1 t -80.17 154.56 27.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.842 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.5 m -93.03 120.02 32.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.934 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.506 -179.986 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.4 t -54.41 -55.06 32.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.823 0.344 . . . . 0.0 110.832 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 4' ' ' GLY . 2.1 t -66.4 114.1 5.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 -179.837 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 3' ' ' SER . . . -34.66 144.46 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.436 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 m -60.21 141.54 55.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.891 0.377 . . . . 0.0 110.841 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 m -98.89 107.75 20.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.799 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.99 57.76 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.469 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -85.7 -43.05 13.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.753 0.311 . . . . 0.0 110.936 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 79.8 mt-10 -121.74 127.47 50.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.95 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 33.2 mttm -100.12 118.99 37.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.969 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.489 ' CE1' ' CD ' ' A' ' 62' ' ' LYS . 3.9 m-85 -104.7 177.47 4.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.953 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.414 ' HB ' ' CG ' ' A' ' 61' ' ' LYS . 44.5 t -132.26 144.38 37.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.136 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 42.1 p -95.77 119.61 34.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.109 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.458 HG23 ' HG3' ' A' ' 15' ' ' GLN . 16.5 m -93.8 -9.24 9.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.519 ' HB2' ' CD2' ' A' ' 59' ' ' TYR . 45.7 mt-30 -146.86 142.99 17.74 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.608 0.718 . . . . 0.0 110.906 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 150.68 68.66 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.719 2.279 . . . . 0.0 112.343 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 45.8 t80 -132.17 142.52 49.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.5 m -113.06 110.21 20.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.123 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.8 p -61.79 110.69 1.6 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -112.75 26.41 10.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.878 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.478 ' HB2' ' CG ' ' A' ' 24' ' ' GLU . 3.3 m -152.04 157.03 41.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.927 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 56.4 pttt -61.29 -28.72 69.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -109.46 34.55 3.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.481 ' OE2' ' CZ3' ' A' ' 43' ' ' TRP . 31.8 mm-40 -123.82 141.72 51.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.879 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.427 ' CD1' ' HB3' ' A' ' 51' ' ' LYS . 14.6 tt -115.82 137.48 49.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.153 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -109.02 120.46 5.86 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.48 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 4.0 p90 -122.04 159.66 26.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.891 0.377 . . . . 0.0 110.834 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -92.19 174.44 7.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.848 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.9 tttp -92.78 125.18 37.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.56 28.78 5.29 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.516 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 15.3 m -123.46 -175.82 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.868 0.366 . . . . 0.0 111.116 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 52.3 m -119.8 140.19 51.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.126 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.6 m -131.62 -178.71 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -134.58 115.84 14.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.946 ' HA ' HG22 ' A' ' 46' ' ' ILE . 40.9 t -78.71 110.05 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.154 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.549 HG22 ' HG2' ' A' ' 37' ' ' ARG . 17.6 mt -84.58 -64.28 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.108 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.549 ' HG2' HG22 ' A' ' 36' ' ' ILE . 26.1 mmt180 -129.66 115.67 17.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.877 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.53 ' HB2' ' CE2' ' A' ' 44' ' ' TRP . 7.9 ptpp? -104.73 149.41 25.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.41 ' ND2' ' HB2' ' A' ' 41' ' ' GLU . 45.8 p30 -142.31 -176.88 5.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.849 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.709 HD13 ' O ' ' A' ' 40' ' ' LEU . 0.3 OUTLIER -91.86 -11.38 36.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 179.932 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 42' ' ' GLY . 54.1 mm-40 -81.71 46.74 1.0 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 41' ' ' GLU . . . 35.43 38.3 0.17 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.483 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.532 ' CZ3' ' HB3' ' A' ' 54' ' ' TRP . 34.3 m95 -139.76 105.68 5.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.737 0.304 . . . . 0.0 110.943 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.53 ' CE2' ' HB2' ' A' ' 38' ' ' LYS . 33.0 m0 -112.93 103.04 11.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.48 ' CE2' ' HB3' ' A' ' 52' ' ' GLU . 7.0 t80 -57.88 122.61 13.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.936 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.946 HG22 ' HA ' ' A' ' 35' ' ' VAL . 8.1 pt -136.0 168.49 22.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.142 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 28.3 ttp180 -125.79 121.15 32.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.458 ' CE2' HD12 ' A' ' 49' ' ' LEU . 13.2 t80 -131.7 126.68 35.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.958 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.458 HD12 ' CE2' ' A' ' 48' ' ' TYR . 13.1 mt 62.73 40.58 9.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.899 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 63.59 37.25 94.47 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.433 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.427 ' HB3' ' CD1' ' A' ' 25' ' ' ILE . 14.2 ttpt -143.8 122.19 12.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.794 0.331 . . . . 0.0 110.904 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.48 ' HB3' ' CE2' ' A' ' 45' ' ' TYR . 28.4 mt-10 -96.61 122.04 39.09 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.875 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -149.52 175.46 28.69 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.502 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.532 ' HB3' ' CZ3' ' A' ' 43' ' ' TRP . 30.8 m95 -86.35 133.9 33.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.78 0.324 . . . . 0.0 110.987 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -146.6 143.95 19.74 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.555 0.693 . . . . 0.0 111.128 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 124.9 11.53 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.677 2.251 . . . . 0.0 112.338 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.529 ' HA ' HD12 ' A' ' 60' ' ' LEU . . . -57.53 -27.28 62.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.182 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 41.5 t -55.71 -26.1 43.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.834 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.519 ' CD2' ' HB2' ' A' ' 15' ' ' GLN . 3.2 m-85 -99.51 23.36 9.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.529 HD12 ' HA ' ' A' ' 57' ' ' ALA . 22.8 mt -135.26 143.68 46.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.873 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.414 ' CG ' ' HB ' ' A' ' 12' ' ' VAL . 4.8 ptmm? -137.11 130.69 31.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.489 ' CD ' ' CE1' ' A' ' 11' ' ' TYR . 18.0 tptp -62.7 104.84 0.57 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -44.53 -51.5 8.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.074 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? 61.89 51.43 3.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.939 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -92.47 -54.49 3.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.907 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 8.0 t -92.15 115.94 28.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 124.35 74.84 0.26 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.453 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.71 -27.11 27.13 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.67 2.247 . . . . 0.0 112.411 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 21.9 m -83.44 126.39 32.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.2 m -124.61 91.74 3.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.802 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.483 179.955 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.9 m -58.22 -59.27 5.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.823 0.344 . . . . 0.0 110.879 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 m -83.98 169.83 14.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.4 -45.61 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.544 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -105.18 114.78 29.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.861 0.362 . . . . 0.0 110.869 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.6 m -45.62 104.19 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.895 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -100.99 154.14 19.16 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.508 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -88.23 -60.93 1.83 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.835 0.35 . . . . 0.0 110.86 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -150.09 132.84 15.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.537 ' CG ' ' CD ' ' A' ' 34' ' ' GLU . 17.2 mtmm -117.08 122.43 44.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.888 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -105.63 -178.89 3.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.96 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 40.4 t -126.82 143.28 40.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.149 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.509 HG21 ' CD1' ' A' ' 27' ' ' PHE . 32.3 p -92.0 132.54 36.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.13 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.619 HG23 ' HG3' ' A' ' 15' ' ' GLN . 28.9 m -107.27 -11.41 10.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.085 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.619 ' HG3' HG23 ' A' ' 14' ' ' VAL . 62.3 mt-30 -146.7 144.0 19.66 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.653 0.74 . . . . 0.0 110.884 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.69 140.4 42.84 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.688 2.259 . . . . 0.0 112.356 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -122.21 143.82 49.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 59.0 m -119.1 102.38 8.69 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.164 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 82.1 p -72.11 127.58 33.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 81.6 mm-40 -81.79 -36.88 27.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 16.8 m -125.04 168.32 13.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.942 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -55.88 -47.4 77.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -39.78 -40.69 0.99 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.829 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.9 mp0 -98.16 154.03 18.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 12.7 tt -121.52 136.24 59.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.113 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -103.72 129.5 9.89 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.478 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.509 ' CD1' HG21 ' A' ' 13' ' ' THR . 3.8 p90 -129.01 166.95 18.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.777 0.322 . . . . 0.0 110.95 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.563 ' O ' HG22 ' A' ' 31' ' ' VAL . 14.3 mt-10 -95.23 162.76 13.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 24.0 tttm -80.89 116.09 20.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.945 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 114.03 32.27 2.07 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.499 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.563 HG22 ' O ' ' A' ' 28' ' ' GLU . 15.5 m -128.4 177.41 6.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.883 0.373 . . . . 0.0 111.116 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.45 ' CG2' ' HD2' ' A' ' 10' ' ' LYS . 52.4 m -110.52 136.75 49.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.165 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.694 HG21 HD22 ' A' ' 60' ' ' LEU . 19.3 m -126.89 145.28 34.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.135 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.537 ' CD ' ' CG ' ' A' ' 10' ' ' LYS . 5.1 mm-40 -105.8 109.93 22.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.903 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.651 HG22 HG22 ' A' ' 46' ' ' ILE . 63.8 t -74.77 122.62 28.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.138 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.48 ' CD1' ' HG2' ' A' ' 52' ' ' GLU . 80.4 mt -93.67 -52.49 9.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.121 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -121.37 171.55 8.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.852 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.57 ' HD2' ' CZ2' ' A' ' 44' ' ' TRP . 9.8 mmtp -140.92 105.17 4.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.437 ' CB ' ' O ' ' A' ' 43' ' ' TRP . 3.0 t-20 -84.64 -178.2 6.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.5 mp -120.37 -16.4 8.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.971 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -85.07 30.43 0.59 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 70.36 43.84 61.06 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.459 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.56 ' CE3' ' HB3' ' A' ' 54' ' ' TRP . 24.9 m95 -145.38 125.95 14.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.707 0.289 . . . . 0.0 110.934 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.57 ' CZ2' ' HD2' ' A' ' 38' ' ' LYS . 8.8 m0 -122.98 117.25 25.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.903 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -75.32 114.56 13.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.936 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.651 HG22 HG22 ' A' ' 35' ' ' VAL . 6.6 pt -123.1 169.31 14.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.088 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.478 ' HB2' HD11 ' A' ' 36' ' ' ILE . 50.1 ttt180 -125.13 129.41 50.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.942 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.471 ' CE1' ' HG ' ' A' ' 49' ' ' LEU . 19.7 t80 -142.68 133.01 24.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.949 -179.813 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.471 ' HG ' ' CE1' ' A' ' 48' ' ' TYR . 35.8 mt 61.21 33.51 19.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 71.48 28.21 69.97 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.452 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 19.1 mtmt -136.79 126.45 25.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.792 0.33 . . . . 0.0 110.881 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.48 ' HG2' ' CD1' ' A' ' 36' ' ' ILE . 4.4 mp0 -95.92 120.43 36.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.872 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -144.09 179.47 21.39 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.455 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.56 ' HB3' ' CE3' ' A' ' 43' ' ' TRP . 45.3 m95 -92.49 125.06 36.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.748 0.309 . . . . 0.0 110.909 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.499 ' HB3' HG12 ' A' ' 46' ' ' ILE . . . -128.54 144.23 51.33 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.575 0.702 . . . . 0.0 111.112 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 120.14 6.97 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.717 2.278 . . . . 0.0 112.298 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.66 -20.49 8.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.116 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.0 m -68.94 -24.02 64.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.882 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -97.77 17.85 17.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.694 HD22 HG21 ' A' ' 33' ' ' VAL . 12.9 mt -134.17 141.83 47.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.883 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.2 ptmt -131.13 133.4 45.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -57.91 115.81 3.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.855 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.14 175.19 0.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.047 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 65.9 mmtt -145.52 119.16 9.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -93.62 100.25 12.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 89.7 p -114.55 41.11 2.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.864 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -55.17 -83.37 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.449 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 85.46 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.603 2.202 . . . . 0.0 112.329 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 34.2 t -79.05 121.68 25.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 63.8 m -101.99 126.93 49.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.839 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.52 179.982 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 . . . . . 0 CA--C 1.527 0.066 0 CA-C-O 120.926 0.393 . . . . 0.0 110.808 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 27.1 mttp -87.01 119.58 27.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.914 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -108.92 173.61 6.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.956 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 31' ' ' VAL . 11.1 p -131.89 142.13 43.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.109 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 16.2 p -87.12 138.24 31.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.169 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.488 HG23 ' HG3' ' A' ' 15' ' ' GLN . 14.8 m -108.14 -7.6 10.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.115 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.502 ' HB2' ' CD2' ' A' ' 59' ' ' TYR . 60.1 mt-30 -152.21 146.31 18.36 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.643 0.735 . . . . 0.0 110.872 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.83 141.22 44.36 Favored 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.666 2.244 . . . . 0.0 112.37 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.418 ' CE1' ' HG3' ' A' ' 56' ' ' PRO . 62.2 t80 -129.55 130.25 45.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 88.6 m -101.85 116.34 32.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.095 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.1 p -77.64 130.84 37.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.816 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.6 mp0 -83.99 -36.43 23.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.989 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 64.3 m -135.59 164.88 26.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 23' ' ' ASP . 42.5 mtpt -49.45 -49.57 44.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.941 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 22' ' ' LYS . 10.6 m-20 -38.14 -37.09 0.25 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -104.81 149.58 25.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.944 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 9.9 tt -114.78 133.64 60.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.153 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -102.08 132.82 11.13 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.517 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -131.19 -178.03 4.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.844 0.354 . . . . 0.0 110.885 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -108.93 172.78 6.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 43.3 tttt -90.46 119.26 30.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 109.42 30.36 3.6 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.466 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.416 ' O ' HG23 ' A' ' 12' ' ' VAL . 9.4 m -123.62 166.75 18.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.966 0.412 . . . . 0.0 111.103 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 95.6 m -101.12 134.83 43.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.16 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 15.8 m -126.81 158.02 37.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.159 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -112.42 109.45 19.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 61.8 t -75.22 113.72 14.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.145 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.581 HD11 ' HB2' ' A' ' 47' ' ' ARG . 13.4 mt -94.35 -59.67 2.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.103 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 20.1 mmm180 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.985 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.523 ' HB3' ' CZ3' ' A' ' 54' ' ' TRP . 12.9 m95 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.785 0.326 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.466 ' CD1' ' HB2' ' A' ' 57' ' ' ALA . 11.7 m0 -118.43 106.25 12.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.898 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.549 ' CE2' ' HB3' ' A' ' 52' ' ' GLU . 3.4 t80 -64.54 115.41 5.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.944 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 7.1 pt -121.92 173.39 7.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.135 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.581 ' HB2' HD11 ' A' ' 36' ' ' ILE . 6.6 ttm105 -127.23 121.05 30.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.912 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.44 ' CZ ' ' HG ' ' A' ' 49' ' ' LEU . 38.1 t80 -144.1 144.97 31.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.44 ' HG ' ' CZ ' ' A' ' 48' ' ' TYR . 13.8 mt 54.51 34.75 21.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.924 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 62.51 36.31 92.99 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.451 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 25.6 mtpt -147.25 136.34 22.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.709 0.29 . . . . 0.0 110.867 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.549 ' HB3' ' CE2' ' A' ' 45' ' ' TYR . 39.1 mt-10 -101.85 126.2 48.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.864 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -147.59 179.91 24.12 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.51 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.523 ' CZ3' ' HB3' ' A' ' 43' ' ' TRP . 64.3 m95 -95.29 126.37 40.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.667 0.27 . . . . 0.0 110.942 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -133.01 145.74 58.29 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.577 0.703 . . . . 0.0 111.175 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.418 ' HG3' ' CE1' ' A' ' 17' ' ' TYR . 53.7 Cg_endo -69.76 121.78 8.47 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.701 2.268 . . . . 0.0 112.386 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.682 ' HA ' HD12 ' A' ' 60' ' ' LEU . . . -53.48 -24.12 12.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.077 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.1 m -59.55 -38.99 82.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.831 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.502 ' CD2' ' HB2' ' A' ' 15' ' ' GLN . 16.4 m-85 -89.43 29.31 1.13 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.682 HD12 ' HA ' ' A' ' 57' ' ' ALA . 9.7 mt -144.21 152.29 40.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.945 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 47.1 pttt -153.23 144.34 23.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 46.3 tttm -62.85 125.64 24.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.041 179.875 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.902 0.382 . . . . 0.0 110.834 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.8 mttp -97.56 118.1 33.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.977 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -110.5 170.41 8.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.963 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 14.2 p -127.43 147.64 32.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.167 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.574 HG22 HD23 ' A' ' 60' ' ' LEU . 77.3 p -94.39 134.51 36.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.081 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.6 m -103.78 -14.81 8.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.16 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 34.8 mm-40 -146.38 148.26 33.77 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.605 0.716 . . . . 0.0 110.859 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 151.46 69.19 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.688 2.259 . . . . 0.0 112.358 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -131.56 141.95 49.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 57.8 m -109.44 106.29 15.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.161 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.401 ' HB3' ' C ' ' A' ' 25' ' ' ILE . 27.9 p -74.54 117.15 16.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.832 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 97.9 mm-40 -74.09 -47.32 37.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.99 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 36.8 m -125.25 165.63 17.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' A' ' 23' ' ' ASP . 91.2 mttt -47.45 -54.35 11.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.848 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 22' ' ' LYS . 7.7 p-10 -35.82 -35.04 0.06 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.867 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 22' ' ' LYS . 19.3 mt-10 -103.12 146.45 28.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.865 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.401 ' C ' ' HB3' ' A' ' 19' ' ' SER . 16.1 tt -111.82 137.55 44.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.104 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -102.43 131.99 10.82 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.484 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.7 p90 -134.18 179.21 6.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.86 0.362 . . . . 0.0 110.851 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -112.09 173.72 6.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 28.8 tttm -89.51 115.07 26.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 114.3 34.44 1.61 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.487 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.9 m -130.38 161.65 39.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.855 0.36 . . . . 0.0 111.2 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 95.7 m -95.07 135.12 37.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.74 HG21 HD22 ' A' ' 60' ' ' LEU . 28.7 m -126.78 155.7 37.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.172 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.0 mp0 -113.36 107.14 15.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.949 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.643 ' HA ' HG22 ' A' ' 46' ' ' ILE . 85.0 t -73.37 106.54 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.172 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.701 HG22 ' HG3' ' A' ' 37' ' ' ARG . 66.5 mt -76.3 -61.74 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.11 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.701 ' HG3' HG22 ' A' ' 36' ' ' ILE . 65.6 mtt180 . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.876 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.525 ' HB3' ' CZ3' ' A' ' 54' ' ' TRP . 9.8 m95 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.669 0.271 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 13.6 m0 -118.68 108.9 15.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.945 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.528 ' CE2' ' HB3' ' A' ' 52' ' ' GLU . 3.0 t80 -68.4 116.16 8.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.643 HG22 ' HA ' ' A' ' 35' ' ' VAL . 8.1 pt -122.76 171.96 10.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.128 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.414 ' HB2' ' NH1' ' A' ' 47' ' ' ARG . 16.7 ttm105 -123.18 126.74 47.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.839 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -147.16 134.53 20.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.969 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 18.6 mt 61.23 39.67 15.46 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.923 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 60.2 35.45 87.95 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.474 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.4 135.37 22.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.769 0.319 . . . . 0.0 110.902 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.528 ' HB3' ' CE2' ' A' ' 45' ' ' TYR . 2.2 mp0 -102.3 123.83 46.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -146.45 -179.17 22.41 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.426 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.525 ' CZ3' ' HB3' ' A' ' 43' ' ' TRP . 60.9 m95 -91.17 137.52 32.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.741 0.305 . . . . 0.0 110.923 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -147.05 144.12 19.32 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.528 0.68 . . . . 0.0 111.159 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.85 126.77 13.64 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.672 2.248 . . . . 0.0 112.328 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.04 -21.33 30.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.121 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 14.9 m -63.15 -29.58 70.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.848 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -95.54 17.41 14.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.932 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.74 HD22 HG21 ' A' ' 33' ' ' VAL . 11.7 mt -139.35 141.65 37.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.93 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 18.0 pttp -142.4 138.1 30.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.83 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 11.8 tttp -55.28 124.84 18.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.92 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.077 179.822 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.93 0.395 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.43 ' HD2' HG21 ' A' ' 32' ' ' THR . 4.3 mtmp? -108.4 120.17 41.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.525 ' CD2' ' C ' ' A' ' 61' ' ' LYS . 6.2 m-85 -106.07 -177.82 3.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.857 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.648 HG23 ' HB2' ' A' ' 63' ' ' ALA . 61.6 t -131.96 146.83 32.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.146 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 43.9 p -94.7 117.36 30.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.119 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.552 HG23 ' HG3' ' A' ' 15' ' ' GLN . 23.8 m -91.69 -6.02 10.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.17 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.552 ' HG3' HG23 ' A' ' 14' ' ' VAL . 40.0 mt-30 -157.19 144.01 13.38 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.654 0.74 . . . . 0.0 110.903 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.68 147.48 63.47 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.692 2.261 . . . . 0.0 112.392 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -127.69 136.33 51.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.942 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 25.6 m -108.68 102.52 11.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.184 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.9 p -75.16 125.2 28.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.855 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 10.5 mp0 -91.68 -25.5 19.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.872 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 33.4 p -119.77 161.28 21.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.837 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -63.99 -40.29 96.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.956 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -53.38 -24.36 12.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -107.05 154.67 20.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 15.5 tt -121.58 141.63 41.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.139 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -107.47 129.7 9.78 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.486 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.602 ' CE2' HD11 ' A' ' 46' ' ' ILE . 2.8 p90 -127.98 167.0 17.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.836 0.351 . . . . 0.0 110.901 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -98.61 174.82 6.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 51.3 tttt -94.0 120.98 35.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 111.06 32.33 2.64 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.531 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 17.3 m -130.3 -177.07 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.908 0.385 . . . . 0.0 111.121 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.43 HG21 ' HD2' ' A' ' 10' ' ' LYS . 98.8 m -118.49 137.28 53.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.184 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.438 HG21 HD22 ' A' ' 60' ' ' LEU . 27.7 m -126.15 152.3 33.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.125 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.8 mp0 -107.38 109.32 21.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.942 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 80.2 t -72.64 114.57 11.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.16 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.509 HD11 ' HB2' ' A' ' 47' ' ' ARG . 22.5 mt -88.06 -59.71 2.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.096 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.438 ' HG2' HG22 ' A' ' 36' ' ' ILE . 3.6 mmp_? . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.838 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.534 ' HB3' ' CZ3' ' A' ' 54' ' ' TRP . 7.7 m95 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.778 0.323 . . . . 0.0 110.968 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 9.0 m0 -121.72 105.08 10.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.427 ' CE2' ' HB3' ' A' ' 52' ' ' GLU . 3.2 t80 -62.95 104.93 0.61 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.904 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.602 HD11 ' CE2' ' A' ' 27' ' ' PHE . 12.5 pt -114.74 161.82 13.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.156 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.509 ' HB2' HD11 ' A' ' 36' ' ' ILE . 22.5 ttp180 -120.99 125.62 47.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.591 ' CE2' HD12 ' A' ' 49' ' ' LEU . 17.9 t80 -139.57 131.68 28.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.949 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.591 HD12 ' CE2' ' A' ' 48' ' ' TYR . 21.0 mt 60.62 40.99 15.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 61.31 36.58 92.67 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.479 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.9 mmmt -142.78 130.56 21.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.785 0.326 . . . . 0.0 110.915 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.427 ' HB3' ' CE2' ' A' ' 45' ' ' TYR . 51.4 mt-10 -99.71 126.2 45.71 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -151.77 170.64 31.23 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.47 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.534 ' CZ3' ' HB3' ' A' ' 43' ' ' TRP . 65.7 m95 -88.76 126.28 35.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.824 0.345 . . . . 0.0 110.904 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -132.81 144.36 52.57 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.58 0.705 . . . . 0.0 111.124 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 124.62 11.29 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.712 2.275 . . . . 0.0 112.342 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -53.5 -21.81 7.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.118 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 16.9 t -63.51 -29.48 70.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.844 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -95.52 15.7 19.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.93 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.438 HD22 HG21 ' A' ' 33' ' ' VAL . 13.1 mt -133.86 136.66 44.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.942 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.525 ' C ' ' CD2' ' A' ' 11' ' ' TYR . 4.0 ptmm? -124.87 144.46 50.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.489 ' HG2' ' CZ ' ' A' ' 11' ' ' TYR . 3.2 tmtp? -69.31 106.8 3.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.867 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.648 ' HB2' HG23 ' A' ' 12' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.15 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.952 0.406 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 29.4 mttm -104.16 124.13 48.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.431 ' CD2' ' C ' ' A' ' 61' ' ' LYS . 7.6 m-85 -110.74 165.84 11.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.86 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 15.0 p -127.87 144.59 37.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.158 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 67.5 p -85.99 136.65 33.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.422 ' O ' ' NE2' ' A' ' 15' ' ' GLN . 14.1 m -107.26 -15.37 9.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.125 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.422 ' NE2' ' O ' ' A' ' 14' ' ' VAL . 98.9 mm-40 -149.09 147.67 24.55 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.609 0.719 . . . . 0.0 110.919 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 141.08 44.29 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.639 2.226 . . . . 0.0 112.333 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 37.8 t80 -130.07 146.77 51.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.918 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 90.8 m -122.63 105.26 9.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.099 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 97.1 p -63.45 132.1 50.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 15.6 mp0 -77.95 -39.0 44.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.956 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.9 m -130.56 177.36 7.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.821 -179.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.0 pttp -61.56 -37.03 82.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.59 -33.62 15.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.883 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -106.99 154.35 21.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 13.2 tt -117.88 133.21 65.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.115 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -102.79 132.47 11.02 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.487 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.565 ' HE2' HD11 ' A' ' 46' ' ' ILE . 1.1 p90 -133.61 -179.95 5.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.832 0.349 . . . . 0.0 110.851 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -101.39 176.81 5.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.864 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 28.4 tttt -96.44 118.14 32.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 114.88 26.73 3.47 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.498 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.0 m -123.14 162.11 23.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.948 0.404 . . . . 0.0 111.116 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 84.8 m -96.35 136.61 36.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.166 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.8 HG21 HD22 ' A' ' 60' ' ' LEU . 19.6 m -129.81 155.61 41.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.061 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -112.07 126.28 55.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.614 ' HA ' HG22 ' A' ' 46' ' ' ILE . 22.1 t -89.51 108.04 18.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.085 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.426 HG22 ' HG3' ' A' ' 37' ' ' ARG . 93.1 mt -77.19 -65.38 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.169 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.426 ' HG3' HG22 ' A' ' 36' ' ' ILE . 40.1 mtt180 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.81 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 41.0 m95 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.8 0.333 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.671 ' O ' HG23 ' A' ' 46' ' ' ILE . 7.1 m0 -116.41 104.52 11.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.91 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.576 ' CE2' ' HB3' ' A' ' 52' ' ' GLU . 12.0 t80 -51.48 110.53 0.46 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.915 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.671 HG23 ' O ' ' A' ' 44' ' ' TRP . 8.0 pt -116.33 170.76 5.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.089 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 51.6 ttp180 -131.11 127.97 39.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.814 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.63 ' CE2' HD12 ' A' ' 49' ' ' LEU . 19.1 t80 -141.07 135.86 31.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.882 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.63 HD12 ' CE2' ' A' ' 48' ' ' TYR . 12.7 mt 60.64 32.29 20.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.987 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 72.12 21.16 79.29 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.448 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.64 125.56 36.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.761 0.315 . . . . 0.0 110.919 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.576 ' HB3' ' CE2' ' A' ' 45' ' ' TYR . 3.1 mp0 -97.75 126.71 43.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.948 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -155.03 175.97 32.86 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.483 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 61.9 m95 -85.28 124.83 32.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.773 0.32 . . . . 0.0 110.898 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -130.74 146.87 63.81 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.569 0.7 . . . . 0.0 111.103 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 123.98 10.64 Favored 'Trans proline' 0 N--CA 1.466 -0.133 0 C-N-CA 122.73 2.287 . . . . 0.0 112.337 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.601 ' HB1' ' CH2' ' A' ' 44' ' ' TRP . . . -56.95 -24.53 53.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.062 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.0 m -61.74 -36.72 81.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.905 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.428 ' O ' HD23 ' A' ' 60' ' ' LEU . 68.1 m-85 -89.66 26.2 1.81 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.956 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.8 HD22 HG21 ' A' ' 33' ' ' VAL . 10.1 mt -146.32 138.95 25.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.938 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.431 ' C ' ' CD2' ' A' ' 11' ' ' TYR . 18.5 ptmt -140.22 138.04 34.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.17 111.09 0.7 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.839 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.062 179.857 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.898 0.38 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.916 ' HE2' HG21 ' A' ' 32' ' ' THR . 33.8 mtpt -76.69 112.79 13.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -100.79 173.61 6.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 63.0 t -123.98 136.82 59.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.155 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.511 HG22 HD23 ' A' ' 60' ' ' LEU . 43.1 p -90.17 117.24 28.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.626 HG23 ' HG3' ' A' ' 15' ' ' GLN . 16.8 m -87.38 -8.97 11.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.141 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.626 ' HG3' HG23 ' A' ' 14' ' ' VAL . 33.1 mt-30 -150.33 144.08 17.13 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.565 0.698 . . . . 0.0 110.917 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 151.12 68.82 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.661 2.241 . . . . 0.0 112.346 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -132.91 138.39 46.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 58.1 m -105.82 116.3 31.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.124 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.422 ' HB3' ' C ' ' A' ' 25' ' ' ILE . 22.3 p -76.58 119.36 20.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.811 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 96.1 mm-40 -83.86 -31.2 25.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.872 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 31.1 m -143.37 160.1 41.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.847 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 43.8 tttm -46.61 -41.59 14.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.877 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -48.78 -35.71 14.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.902 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -106.86 145.13 32.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.461 HD11 ' HB3' ' A' ' 51' ' ' LYS . 16.3 tt -107.28 144.56 15.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.092 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -108.06 131.09 10.42 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.426 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 1.8 p90 -134.34 170.64 15.43 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.787 0.327 . . . . 0.0 110.83 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -103.67 178.56 4.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.837 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 59.5 tttt -94.7 122.98 37.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 106.28 35.67 2.86 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.469 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 16.2 m -132.42 173.88 14.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.916 0.389 . . . . 0.0 111.082 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.916 HG21 ' HE2' ' A' ' 10' ' ' LYS . 78.6 m -109.67 133.85 52.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.159 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.745 HG21 HD22 ' A' ' 60' ' ' LEU . 30.9 m -123.79 141.91 42.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.092 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -99.36 113.5 25.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.915 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.584 HG22 HG22 ' A' ' 46' ' ' ILE . 74.8 t -79.93 114.36 20.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.156 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.429 HG22 ' HD2' ' A' ' 37' ' ' ARG . 18.9 mt -83.81 -60.94 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.186 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.429 ' HD2' HG22 ' A' ' 36' ' ' ILE . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.426 ' HB3' ' CZ3' ' A' ' 54' ' ' TRP . 31.3 m95 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.779 0.323 . . . . 0.0 110.974 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 9.1 m0 -121.31 107.49 12.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.957 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -68.1 115.46 7.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.967 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.584 HG22 HG22 ' A' ' 35' ' ' VAL . 34.0 pt -123.18 168.21 15.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.14 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 30.6 ttt180 -123.92 123.92 41.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.881 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.574 ' CE1' ' HG ' ' A' ' 49' ' ' LEU . 23.9 t80 -137.66 130.08 29.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.888 -179.8 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.574 ' HG ' ' CE1' ' A' ' 48' ' ' TYR . 53.7 mt 60.24 42.15 15.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.944 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 63.27 27.88 71.36 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.495 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.461 ' HB3' HD11 ' A' ' 25' ' ' ILE . 14.2 ttmm -133.25 130.85 39.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.779 0.323 . . . . 0.0 110.902 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.409 ' N ' ' OE1' ' A' ' 52' ' ' GLU . 2.6 mp0 -106.13 120.44 41.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -146.1 -175.35 19.06 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.45 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.426 ' CZ3' ' HB3' ' A' ' 43' ' ' TRP . 38.8 m95 -97.21 133.01 42.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.72 0.295 . . . . 0.0 110.988 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -144.28 147.0 35.43 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.614 0.721 . . . . 0.0 111.046 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 126.52 13.42 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.734 2.29 . . . . 0.0 112.337 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.58 -12.59 10.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.097 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.8 m -68.58 -26.67 65.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -97.24 20.61 11.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.925 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.745 HD22 HG21 ' A' ' 33' ' ' VAL . 19.0 mt -136.31 138.85 42.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.914 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.426 ' HD3' ' CG1' ' A' ' 14' ' ' VAL . 53.4 pttt -131.45 135.82 47.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 179.785 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.58 114.24 3.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.941 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.131 179.834 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.867 0.365 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 23.8 mttp -85.77 113.48 21.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.932 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -107.91 163.77 12.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.985 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 85.2 t -119.59 142.56 34.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.115 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.495 HG22 HD23 ' A' ' 60' ' ' LEU . 30.6 p -90.79 145.42 24.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.418 HG23 ' HG3' ' A' ' 15' ' ' GLN . 4.4 m -116.48 -4.88 11.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.114 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.418 ' HG3' HG23 ' A' ' 14' ' ' VAL . 63.4 mt-30 -155.33 144.01 14.75 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.657 0.742 . . . . 0.0 110.955 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 134.53 28.22 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.709 2.273 . . . . 0.0 112.279 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -117.61 129.62 55.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 91.3 m -100.04 103.3 14.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.186 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.419 ' HB3' ' N ' ' A' ' 26' ' ' GLY . 51.7 p -60.79 140.48 57.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.817 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -101.74 -31.84 10.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.91 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.1 t -139.57 159.6 41.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 34.6 mtmt -48.64 -40.29 27.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.902 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -49.39 -42.76 43.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.877 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.7 mp0 -99.52 147.95 24.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.426 HD11 ' HB3' ' A' ' 51' ' ' LYS . 12.3 tt -113.15 140.0 35.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.113 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.419 ' N ' ' HB3' ' A' ' 19' ' ' SER . . . -105.41 129.24 9.72 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.503 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 2.6 p90 -126.75 169.43 13.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.833 0.349 . . . . 0.0 110.852 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -96.0 179.0 5.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.894 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.3 tttp -98.23 121.15 39.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.927 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.66 26.6 6.08 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.495 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 15.3 m -121.45 175.81 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.847 0.355 . . . . 0.0 111.167 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 95.3 m -107.61 139.41 42.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.106 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.617 HG21 HD22 ' A' ' 60' ' ' LEU . 16.9 m -131.79 152.03 36.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.166 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -107.66 116.56 32.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.929 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.714 HG22 HG22 ' A' ' 46' ' ' ILE . 92.7 t -86.9 117.41 31.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.136 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.462 ' CD1' ' HG2' ' A' ' 52' ' ' GLU . 32.6 mt -92.73 -54.45 7.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.141 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 36.1 mtp180 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 179.945 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.54 ' CZ3' ' HB3' ' A' ' 54' ' ' TRP . 21.9 m95 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.789 0.328 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 8.6 m0 -122.48 109.42 14.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.926 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -66.95 115.25 6.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.003 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.714 HG22 HG22 ' A' ' 35' ' ' VAL . 22.6 pt -126.93 169.67 18.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.101 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 20.6 ttt180 -128.06 125.9 40.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.819 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.523 ' CE1' ' HG ' ' A' ' 49' ' ' LEU . 17.1 t80 -136.14 132.13 35.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.923 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.523 ' HG ' ' CE1' ' A' ' 48' ' ' TYR . 19.8 mt 60.19 35.52 21.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.843 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 69.19 34.88 76.29 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.519 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.426 ' HB3' HD11 ' A' ' 25' ' ' ILE . 16.4 ttpt -141.9 124.72 16.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.687 0.28 . . . . 0.0 110.878 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.462 ' HG2' ' CD1' ' A' ' 36' ' ' ILE . 66.1 mt-10 -95.96 121.72 38.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.928 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -147.31 -178.14 22.36 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.48 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.54 ' HB3' ' CZ3' ' A' ' 43' ' ' TRP . 59.2 m95 -92.55 134.05 35.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.793 0.33 . . . . 0.0 110.904 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -143.28 144.16 27.24 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.557 0.694 . . . . 0.0 111.079 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.409 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 53.3 Cg_endo -69.79 126.6 13.48 Favored 'Trans proline' 0 N--CA 1.466 -0.146 0 C-N-CA 122.704 2.269 . . . . 0.0 112.334 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.53 -9.96 6.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.108 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 13.7 t -76.43 -22.43 54.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.409 ' CD1' ' HG2' ' A' ' 56' ' ' PRO . 22.8 m-85 -98.85 15.22 26.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.949 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.617 HD22 HG21 ' A' ' 33' ' ' VAL . 9.5 mt -133.54 146.34 50.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.931 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.2 pttp -134.12 134.59 42.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 9.6 tmtt? -60.02 121.15 11.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.927 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.139 179.816 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 69.8 mt-10 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.881 0.372 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 48.1 mttt -79.25 115.83 19.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.563 ' CE1' ' HD2' ' A' ' 62' ' ' LYS . 3.5 m-85 -104.77 -178.44 3.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.863 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 24.1 t -136.18 139.08 46.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.129 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.602 HG22 HD23 ' A' ' 60' ' ' LEU . 35.2 p -89.51 121.37 31.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.095 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.6 m -92.34 -10.89 9.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.109 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -144.47 146.35 32.3 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.562 0.696 . . . . 0.0 110.899 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 153.85 68.55 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.631 2.221 . . . . 0.0 112.361 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -133.8 124.63 26.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.944 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 41.0 m -93.22 110.85 22.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.151 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 30.1 p -85.02 154.77 21.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -129.77 -33.29 1.83 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 42.5 t -130.76 149.76 52.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.054 0.454 . . . . 0.0 110.814 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 11.0 tppt? -41.18 -45.15 2.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.955 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.11 -44.05 10.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.829 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 75.5 mt-10 -99.26 150.55 21.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 15.4 tt -120.86 140.94 43.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.175 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -108.42 129.39 9.55 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.498 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.589 ' CE2' HD11 ' A' ' 46' ' ' ILE . 2.7 p90 -133.91 157.94 44.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.782 0.325 . . . . 0.0 110.938 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.41 ' O ' HG22 ' A' ' 31' ' ' VAL . 14.0 mt-10 -87.15 168.9 12.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.2 tttm -87.91 118.48 27.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 111.39 29.27 3.48 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.538 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.41 HG22 ' O ' ' A' ' 28' ' ' GLU . 16.3 m -121.93 173.54 7.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.887 0.375 . . . . 0.0 111.134 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 89.5 m -106.5 138.7 42.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.185 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.602 HG21 HD22 ' A' ' 60' ' ' LEU . 24.9 m -135.76 150.27 28.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.137 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -104.15 115.65 30.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 98.2 t -79.2 100.86 4.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 52.2 mt -72.5 -52.13 25.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.131 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 55.9 mtm-85 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.942 179.95 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.502 ' HB3' ' CZ3' ' A' ' 54' ' ' TRP . 18.1 m95 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.771 0.319 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.439 ' O ' HG23 ' A' ' 46' ' ' ILE . 7.7 m0 -122.31 102.85 8.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.878 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -61.87 118.57 7.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.961 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.589 HD11 ' CE2' ' A' ' 27' ' ' PHE . 19.9 pt -127.78 168.88 20.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.148 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 22.8 ttp180 -128.79 119.93 25.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.534 ' CE1' ' HG ' ' A' ' 49' ' ' LEU . 14.7 t80 -132.94 132.48 42.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.534 ' HG ' ' CE1' ' A' ' 48' ' ' TYR . 11.8 mt 59.08 41.87 19.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.928 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 61.21 38.78 96.2 Favored Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.513 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 26.5 ttmt -147.02 129.0 15.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.773 0.32 . . . . 0.0 110.929 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.7 mp0 -98.74 128.41 44.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -150.91 174.95 30.09 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.463 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.502 ' CZ3' ' HB3' ' A' ' 43' ' ' TRP . 44.4 m95 -90.31 126.75 35.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.784 0.326 . . . . 0.0 110.963 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -138.37 144.65 43.67 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.541 0.686 . . . . 0.0 111.125 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 125.91 12.69 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.661 2.241 . . . . 0.0 112.386 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.4 -27.06 9.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.075 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 73.5 m -60.1 -30.99 69.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.816 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.604 ' O ' HD23 ' A' ' 60' ' ' LEU . 4.7 m-85 -93.98 25.13 3.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.93 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.604 HD23 ' O ' ' A' ' 59' ' ' TYR . 8.0 mt -147.73 141.08 25.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.934 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 31.1 pttt -142.1 130.62 22.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.914 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.563 ' HD2' ' CE1' ' A' ' 11' ' ' TYR . 12.7 tptm -51.4 113.32 0.93 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.125 179.848 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.886 0.374 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 54.7 mttp -107.55 120.31 41.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.947 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.471 ' CD2' ' N ' ' A' ' 62' ' ' LYS . 5.9 m-85 -105.65 -177.79 3.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.946 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.462 HG23 ' HB2' ' A' ' 63' ' ' ALA . 54.4 t -132.15 142.69 42.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.111 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.463 HG22 HD23 ' A' ' 60' ' ' LEU . 57.1 p -94.87 120.28 34.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.126 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.416 ' CG1' ' HD3' ' A' ' 61' ' ' LYS . 13.6 m -88.38 -15.11 9.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.138 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 20.1 mm100 -148.48 146.92 23.76 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.622 0.725 . . . . 0.0 110.893 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 152.7 69.32 Favored 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 122.662 2.241 . . . . 0.0 112.428 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -128.85 149.45 50.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.009 0.433 . . . . 0.0 110.909 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 94.6 m -117.97 104.69 11.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.129 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.413 ' HB3' ' C ' ' A' ' 25' ' ' ILE . 87.8 p -76.72 117.23 18.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.816 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 15.7 mp0 -74.66 -41.8 59.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.948 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 47.3 m -121.22 165.43 15.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.0 pttt -56.83 -28.79 62.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.861 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.06 -39.1 68.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.866 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -99.63 164.1 12.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.893 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.413 ' C ' ' HB3' ' A' ' 19' ' ' SER . 15.1 tt -124.83 140.49 47.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.126 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -107.66 119.96 5.95 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.448 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.639 ' CE2' HD11 ' A' ' 46' ' ' ILE . 3.5 p90 -123.93 168.2 13.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.794 0.331 . . . . 0.0 110.918 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -100.15 173.4 6.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 29.7 tttm -89.18 124.38 34.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.66 37.17 2.64 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.482 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.5 m -133.59 174.87 12.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.877 0.37 . . . . 0.0 111.167 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 60.9 m -109.41 133.48 53.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.114 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.535 HG21 HD22 ' A' ' 60' ' ' LEU . 35.9 m -127.72 141.84 45.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 -98.01 112.22 24.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.891 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.572 ' HA ' HG22 ' A' ' 46' ' ' ILE . 64.2 t -78.37 108.49 11.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.119 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.489 HG22 ' HG2' ' A' ' 37' ' ' ARG . 59.4 mt -75.97 -62.85 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.092 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.489 ' HG2' HG22 ' A' ' 36' ' ' ILE . 36.6 mmt180 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.407 ' CZ3' ' HB3' ' A' ' 54' ' ' TRP . 16.8 m95 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.843 0.354 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 7.6 m0 -125.53 110.01 13.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.941 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.409 ' CE2' ' HB3' ' A' ' 52' ' ' GLU . 2.5 t80 -69.5 121.95 18.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.864 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.639 HD11 ' CE2' ' A' ' 27' ' ' PHE . 23.3 pt -132.0 161.59 41.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.146 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 45.4 ttt180 -118.3 122.53 43.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.878 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.491 ' CZ ' ' HG ' ' A' ' 49' ' ' LEU . 27.6 t80 -136.19 132.13 35.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.926 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.491 ' HG ' ' CZ ' ' A' ' 48' ' ' TYR . 76.3 mt 59.96 39.15 20.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.928 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 62.42 33.17 85.5 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.463 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 20.2 ttmt -139.38 131.65 28.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.747 0.308 . . . . 0.0 110.9 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.409 ' HB3' ' CE2' ' A' ' 45' ' ' TYR . 20.4 mt-10 -96.73 131.12 43.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.898 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -157.78 169.35 34.56 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.484 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.407 ' HB3' ' CZ3' ' A' ' 43' ' ' TRP . 42.4 m95 -86.14 122.27 29.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.796 0.331 . . . . 0.0 110.959 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -124.91 144.14 46.03 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.575 0.702 . . . . 0.0 111.07 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 125.87 12.61 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.689 2.259 . . . . 0.0 112.315 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.47 -18.61 11.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.083 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 72.5 m -69.9 -35.56 74.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.791 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -90.09 21.54 3.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.906 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.535 HD22 HG21 ' A' ' 33' ' ' VAL . 11.1 mt -139.39 136.01 34.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.96 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.464 ' C ' ' CD2' ' A' ' 11' ' ' TYR . 61.2 pttt -133.81 133.89 42.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.908 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.471 ' N ' ' CD2' ' A' ' 11' ' ' TYR . 21.1 tttt -51.12 124.88 12.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.462 ' HB2' HG23 ' A' ' 12' ' ' VAL . . . . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.077 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.1 mp0 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.944 0.402 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 34.8 mttt -82.38 112.41 19.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.82 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.579 ' CE1' ' HD2' ' A' ' 62' ' ' LYS . 4.1 m-85 -107.36 174.41 5.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.971 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.2 p -133.4 152.53 35.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.09 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.54 HG21 ' CD1' ' A' ' 27' ' ' PHE . 42.9 p -98.35 115.17 27.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.095 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.623 HG23 ' HG3' ' A' ' 15' ' ' GLN . 20.4 m -87.04 -7.51 10.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.151 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.623 ' HG3' HG23 ' A' ' 14' ' ' VAL . 37.3 mt-30 -151.83 145.85 18.13 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.591 0.71 . . . . 0.0 110.897 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 150.8 68.16 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.625 2.217 . . . . 0.0 112.353 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -133.31 149.13 51.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 73.8 m -114.43 116.59 29.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.12 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.464 ' HB3' ' N ' ' A' ' 26' ' ' GLY . 79.0 p -79.0 125.29 29.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.858 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 16.6 mp0 -83.46 -41.39 18.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.912 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.7 m -135.49 167.74 20.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.841 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.429 ' HG3' ' N ' ' A' ' 23' ' ' ASP . 9.9 ptpp? -48.65 -41.58 31.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.928 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.429 ' N ' ' HG3' ' A' ' 22' ' ' LYS . 0.7 OUTLIER -45.09 -43.06 9.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.914 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -100.06 157.68 16.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 14.8 tt -123.24 134.96 64.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.096 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.464 ' N ' ' HB3' ' A' ' 19' ' ' SER . . . -98.33 130.51 10.25 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.538 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.54 ' CD1' HG21 ' A' ' 13' ' ' THR . 3.4 p90 -130.36 178.55 6.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.791 0.329 . . . . 0.0 110.899 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.458 ' O ' HG22 ' A' ' 31' ' ' VAL . 8.3 pt-20 -110.16 170.34 8.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.865 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 57.7 tttt -86.98 123.76 32.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.95 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.0 35.7 3.12 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.467 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.458 HG22 ' O ' ' A' ' 28' ' ' GLU . 4.9 m -132.16 160.69 42.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.833 0.349 . . . . 0.0 111.13 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 91.2 m -91.74 143.5 26.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.166 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 31.1 m -135.64 152.78 31.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.208 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 21.2 mp0 -109.58 108.4 18.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.861 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 63.2 t -75.31 103.09 2.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.112 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.616 HG22 ' HG2' ' A' ' 37' ' ' ARG . 56.5 mt -74.1 -63.7 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.165 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.616 ' HG2' HG22 ' A' ' 36' ' ' ILE . 41.3 mmm-85 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 9.9 m95 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.735 0.302 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 9.1 m0 -116.39 108.0 15.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.959 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.562 ' CE2' ' HB3' ' A' ' 52' ' ' GLU . 3.0 t80 -67.35 114.35 5.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.973 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 7.2 pt -120.81 163.75 18.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.09 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.509 ' HB2' HD11 ' A' ' 36' ' ' ILE . 45.3 ttt85 -123.55 119.99 31.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.859 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.493 ' CE1' ' HG ' ' A' ' 49' ' ' LEU . 24.5 t80 -131.81 129.19 40.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 -179.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.493 ' HG ' ' CE1' ' A' ' 48' ' ' TYR . 77.9 mt 61.38 37.85 16.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.961 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 67.81 22.58 73.82 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.507 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 42.8 mmtt -127.1 134.62 50.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.806 0.336 . . . . 0.0 110.875 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.562 ' HB3' ' CE2' ' A' ' 45' ' ' TYR . 31.8 mt-10 -103.98 128.53 51.53 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.87 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -152.14 174.66 31.08 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.488 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 16.3 m95 -92.67 119.77 32.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.761 0.315 . . . . 0.0 110.946 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -125.79 144.66 49.09 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.608 0.718 . . . . 0.0 111.075 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 117.94 5.38 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.625 2.216 . . . . 0.0 112.339 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.505 ' HA ' HD12 ' A' ' 60' ' ' LEU . . . -49.09 -20.91 0.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.105 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 67.8 m -61.33 -41.01 96.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.569 ' CD2' ' HB2' ' A' ' 15' ' ' GLN . 2.6 m-85 -90.97 26.66 2.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.946 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.505 HD12 ' HA ' ' A' ' 57' ' ' ALA . 15.4 mt -139.95 144.66 37.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.855 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.5 ptmt -152.88 135.73 15.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.579 ' HD2' ' CE1' ' A' ' 11' ' ' TYR . 12.9 tptm -52.85 119.82 5.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.127 179.814 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.897 0.38 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 49.5 mttt -88.98 121.16 31.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.54 ' CD1' HG21 ' A' ' 35' ' ' VAL . 10.9 m-85 -106.85 166.8 10.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 79.9 t -124.71 138.73 53.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.101 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.545 HG22 HD23 ' A' ' 60' ' ' LEU . 19.3 p -87.55 142.63 27.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.5 m -114.64 -6.08 11.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.06 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 93.4 mm-40 -155.49 143.98 14.62 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.56 0.695 . . . . 0.0 110.991 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 128.89 16.71 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.718 2.279 . . . . 0.0 112.323 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.424 ' CE1' ' HG3' ' A' ' 56' ' ' PRO . 62.5 t80 -109.55 133.02 53.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.967 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 90.0 m -105.39 98.85 8.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.172 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.424 ' HB3' ' C ' ' A' ' 25' ' ' ILE . 21.4 p -81.43 124.61 29.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.875 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -112.38 27.24 9.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.876 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.1 p -150.45 133.52 16.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.897 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.1 ptpt -50.5 -39.2 47.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.935 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.45 -28.94 69.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -101.98 164.6 11.63 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.424 ' C ' ' HB3' ' A' ' 19' ' ' SER . 13.1 tt -130.45 144.36 38.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.082 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -111.51 136.25 13.43 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.482 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.2 p90 -130.93 177.7 7.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.783 0.325 . . . . 0.0 110.92 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.618 ' O ' HG22 ' A' ' 31' ' ' VAL . 30.7 mt-10 -108.96 165.37 11.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 42.1 tttt -83.32 129.34 34.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 99.33 25.8 9.18 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.502 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.618 HG22 ' O ' ' A' ' 28' ' ' GLU . 26.1 m -120.71 -177.77 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.979 0.418 . . . . 0.0 111.118 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.4 m -115.0 142.15 47.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.162 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.769 HG21 HD22 ' A' ' 60' ' ' LEU . 36.0 m -133.81 160.72 41.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.143 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -119.43 115.67 24.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.91 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.54 HG21 ' CD1' ' A' ' 11' ' ' TYR . 42.1 t -81.64 107.87 14.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.094 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.448 HG22 ' HG2' ' A' ' 37' ' ' ARG . 77.2 mt -76.62 -67.85 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.106 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.448 ' HG2' HG22 ' A' ' 36' ' ' ILE . 17.7 mmt180 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.827 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 56.3 m95 . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.714 0.292 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.633 ' O ' HG23 ' A' ' 46' ' ' ILE . 8.2 m0 -117.8 107.86 14.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.407 ' CE2' ' HB3' ' A' ' 52' ' ' GLU . 12.3 t80 -55.47 105.9 0.21 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.633 HG23 ' O ' ' A' ' 44' ' ' TRP . 7.1 pt -107.08 175.61 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.173 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 12.2 ttm180 -133.22 131.68 40.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.899 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.462 ' CZ ' ' HG ' ' A' ' 49' ' ' LEU . 26.3 t80 -150.28 147.62 27.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.962 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.462 ' HG ' ' CZ ' ' A' ' 48' ' ' TYR . 11.3 mt 53.62 40.26 31.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.928 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 60.05 32.95 77.31 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.414 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.412 ' O ' ' CD1' ' A' ' 25' ' ' ILE . 39.7 mtmt -149.39 129.32 13.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.784 0.326 . . . . 0.0 110.873 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.407 ' HB3' ' CE2' ' A' ' 45' ' ' TYR . 5.5 mt-10 -96.16 140.77 30.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -163.64 178.27 39.21 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.48 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 78.0 m95 -86.78 135.03 33.51 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.758 0.313 . . . . 0.0 110.931 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -147.76 144.01 18.6 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.58 0.705 . . . . 0.0 111.123 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.424 ' HG3' ' CE1' ' A' ' 17' ' ' TYR . 54.4 Cg_endo -69.66 117.86 5.33 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.668 2.245 . . . . 0.0 112.438 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.528 ' HB1' ' CH2' ' A' ' 44' ' ' TRP . . . -53.81 -16.88 1.96 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.118 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.9 t -63.27 -30.24 71.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -92.21 12.23 23.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.902 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.769 HD22 HG21 ' A' ' 33' ' ' VAL . 10.0 mt -133.04 146.36 51.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.927 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.16 131.36 34.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 29.2 tttt -57.59 118.0 4.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.092 179.857 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.874 0.369 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 27.5 mttp -81.93 111.76 18.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.408 ' CE1' ' HG2' ' A' ' 62' ' ' LYS . 6.3 m-85 -102.62 -179.77 4.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 81.3 t -132.07 144.32 37.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.152 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.412 HG22 HD23 ' A' ' 60' ' ' LEU . 57.2 p -94.46 130.67 40.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.144 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.8 m -100.16 -11.45 8.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.071 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.561 ' HB2' ' CD2' ' A' ' 59' ' ' TYR . 14.9 mm-40 -147.26 144.24 19.33 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.528 0.68 . . . . 0.0 110.939 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 146.42 60.2 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.724 2.283 . . . . 0.0 112.3 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -134.44 137.78 44.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.993 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 86.4 m -113.5 124.21 51.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.102 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 34.5 p -70.88 140.95 51.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 42.3 mm-40 -104.24 -47.95 4.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.903 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.8 t -110.71 -176.51 2.99 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.36 33.97 0.63 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.905 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -128.59 -30.28 2.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.5 mp0 -98.17 157.4 16.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 15.7 tt -120.69 138.03 52.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.115 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -99.26 123.53 7.93 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.511 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.405 ' CD1' HG21 ' A' ' 13' ' ' THR . 5.0 p90 -123.42 151.35 42.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.804 0.335 . . . . 0.0 110.882 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.487 ' O ' HG22 ' A' ' 31' ' ' VAL . 45.9 mt-10 -88.32 168.8 12.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.891 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 28.0 tttm -86.75 127.61 34.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 99.17 33.35 5.48 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.487 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.487 HG22 ' O ' ' A' ' 28' ' ' GLU . 15.6 m -127.58 173.72 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.904 0.383 . . . . 0.0 111.134 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 97.5 m -110.03 138.54 46.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.176 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 29.5 m -129.91 168.41 23.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.149 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -122.4 106.54 11.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.691 ' HA ' HG22 ' A' ' 46' ' ' ILE . 58.6 t -71.07 94.58 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.059 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.684 HG22 ' HG3' ' A' ' 37' ' ' ARG . 44.9 mt -65.78 -57.04 12.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.082 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.684 ' HG3' HG22 ' A' ' 36' ' ' ILE . 82.7 mtp180 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.834 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.487 ' HB3' ' CZ3' ' A' ' 54' ' ' TRP . 24.4 m95 . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.763 0.316 . . . . 0.0 110.945 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.526 ' CD1' ' HB2' ' A' ' 57' ' ' ALA . 11.3 m0 -119.12 111.29 18.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.964 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.499 ' CE2' ' HB3' ' A' ' 52' ' ' GLU . 4.1 t80 -74.75 123.98 25.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 -179.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.691 HG22 ' HA ' ' A' ' 35' ' ' VAL . 18.7 pt -134.55 168.68 23.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.158 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.513 ' HB2' HD11 ' A' ' 36' ' ' ILE . 32.5 ttt180 -126.29 117.45 23.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.941 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.592 ' CE2' HD12 ' A' ' 49' ' ' LEU . 14.9 t80 -130.49 132.47 45.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 -179.797 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.592 HD12 ' CE2' ' A' ' 48' ' ' TYR . 16.0 mt 62.33 36.34 14.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.894 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 65.13 34.18 88.99 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.478 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.45 134.01 28.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.665 0.269 . . . . 0.0 110.891 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.499 ' HB3' ' CE2' ' A' ' 45' ' ' TYR . 9.8 mt-10 -100.65 133.08 45.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.899 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -156.26 173.11 34.15 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.439 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.487 ' CZ3' ' HB3' ' A' ' 43' ' ' TRP . 37.4 m95 -87.44 116.71 25.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.719 0.295 . . . . 0.0 110.924 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -117.95 144.73 35.22 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.561 0.696 . . . . 0.0 111.134 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 146.24 59.97 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.714 2.276 . . . . 0.0 112.335 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.526 ' HB2' ' CD1' ' A' ' 44' ' ' TRP . . . -84.32 23.5 1.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.097 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 12.8 t -114.4 -22.51 9.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.561 ' CD2' ' HB2' ' A' ' 15' ' ' GLN . 7.4 m-85 -104.88 27.47 8.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.879 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.412 HD23 HG22 ' A' ' 13' ' ' THR . 16.1 mt -136.9 144.18 43.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.875 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.63 131.72 26.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.408 ' HG2' ' CE1' ' A' ' 11' ' ' TYR . 5.4 tmtt? -57.73 117.58 4.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.078 179.829 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.938 0.399 . . . . 0.0 110.825 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.1 mtmm -100.82 124.77 46.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.405 ' CD2' ' N ' ' A' ' 62' ' ' LYS . 6.8 m-85 -111.3 178.18 4.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.907 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 60.1 t -130.35 145.12 36.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.113 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.9 p -92.26 129.19 38.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.094 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.422 ' CG1' ' HD3' ' A' ' 61' ' ' LYS . 8.4 m -101.27 -9.47 9.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.161 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -150.75 144.01 16.88 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.625 0.726 . . . . 0.0 110.877 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.88 138.96 38.67 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.635 2.223 . . . . 0.0 112.281 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -123.75 133.55 53.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.934 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 92.7 m -102.74 119.85 39.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.185 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 68.9 p -81.66 121.98 27.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 20.4 mp0 -84.34 -29.88 25.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.903 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.0 m -133.83 156.92 47.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.829 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.2 ptmt -49.86 -43.06 48.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -44.93 -36.82 3.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -99.09 158.96 15.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.439 HG23 ' O ' ' A' ' 25' ' ' ILE . 14.9 tt -122.02 129.24 75.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.081 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -92.81 125.26 8.08 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.481 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -126.01 167.61 15.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.789 0.328 . . . . 0.0 110.923 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -104.1 172.54 6.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 36.9 tttt -88.93 119.21 29.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 110.45 34.61 2.25 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.472 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.1 m -131.43 170.7 19.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.915 0.388 . . . . 0.0 111.171 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.9 m -105.91 140.29 39.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.149 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.63 HG21 HD22 ' A' ' 60' ' ' LEU . 17.8 m -132.25 149.32 32.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.14 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.441 ' OE1' ' NH2' ' A' ' 47' ' ' ARG . 17.1 mt-10 -107.8 113.53 26.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 33.8 t -78.07 116.23 21.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.13 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 13.7 mt -89.02 -53.8 8.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.133 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 13.4 mmm180 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 179.977 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.51 ' HB3' ' CZ3' ' A' ' 54' ' ' TRP . 34.4 m95 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.811 0.339 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.712 ' CD1' ' HB2' ' A' ' 57' ' ' ALA . 23.1 m0 -106.52 104.48 14.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.949 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.505 ' CE2' ' HB3' ' A' ' 52' ' ' GLU . 4.7 t80 -63.43 114.49 3.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.945 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.407 HG12 ' HB3' ' A' ' 55' ' ' ALA . 22.1 pt -124.05 161.93 26.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.133 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.441 ' NH2' ' OE1' ' A' ' 34' ' ' GLU . 3.0 ttp-105 -121.77 127.36 50.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.49 ' CE1' ' HG ' ' A' ' 49' ' ' LEU . 15.9 t80 -137.93 133.18 33.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.922 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.49 ' HG ' ' CE1' ' A' ' 48' ' ' TYR . 14.4 mt 62.4 34.75 15.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.85 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 68.15 31.79 75.41 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.436 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.7 ttpp -138.77 131.01 28.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.723 0.297 . . . . 0.0 110.882 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.505 ' HB3' ' CE2' ' A' ' 45' ' ' TYR . 11.0 mt-10 -98.86 126.67 44.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.879 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -148.87 177.13 27.31 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.471 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.51 ' CZ3' ' HB3' ' A' ' 43' ' ' TRP . 28.7 m95 -89.09 125.84 35.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.803 0.335 . . . . 0.0 110.944 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.407 ' HB3' HG12 ' A' ' 46' ' ' ILE . . . -133.02 145.05 55.36 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.576 0.703 . . . . 0.0 111.156 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 147.26 62.7 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.674 2.249 . . . . 0.0 112.35 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.712 ' HB2' ' CD1' ' A' ' 44' ' ' TRP . . . -84.62 23.34 1.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.089 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 65.5 m -112.39 -28.95 7.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.836 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -96.19 26.22 4.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.967 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.63 HD22 HG21 ' A' ' 33' ' ' VAL . 20.9 mt -140.26 140.72 35.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.937 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.422 ' HD3' ' CG1' ' A' ' 14' ' ' VAL . 16.4 pttp -132.07 132.82 43.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.405 ' N ' ' CD2' ' A' ' 11' ' ' TYR . 31.1 tttm -53.0 123.34 11.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 179.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.09 179.878 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 49.1 mm-40 . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.92 0.39 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.921 ' HE2' HG21 ' A' ' 32' ' ' THR . 34.5 mtpt -78.13 112.05 14.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.933 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.479 ' CD1' HG21 ' A' ' 35' ' ' VAL . 6.5 m-85 -100.65 177.63 4.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.939 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.757 HG23 ' HB2' ' A' ' 63' ' ' ALA . 96.4 t -130.24 142.77 42.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.07 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.454 HG21 ' CD1' ' A' ' 27' ' ' PHE . 57.0 p -93.98 120.96 34.96 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.142 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.8 m -87.62 -12.72 10.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.099 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -148.15 145.06 19.7 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.599 0.714 . . . . 0.0 110.939 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.79 151.53 68.9 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.638 2.225 . . . . 0.0 112.327 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -128.15 148.86 50.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 10.5 m -117.64 105.31 11.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.102 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.428 ' OG ' ' N ' ' A' ' 25' ' ' ILE . 2.3 m -96.16 138.66 33.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.845 -179.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -125.31 25.01 7.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.8 m -162.76 141.12 8.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.0 pttt -44.58 -49.5 10.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -47.2 -38.6 12.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.853 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -100.64 158.39 15.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.428 ' N ' ' OG ' ' A' ' 19' ' ' SER . 14.6 tt -132.28 135.06 58.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.07 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.412 ' N ' ' HB2' ' A' ' 19' ' ' SER . . . -104.39 129.42 9.84 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.494 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.729 ' CE2' HD11 ' A' ' 46' ' ' ILE . 1.9 p90 -130.85 170.89 13.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.829 0.347 . . . . 0.0 110.855 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -99.66 178.89 4.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.967 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 28.6 tttm -94.21 125.0 38.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 103.13 38.88 2.77 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.449 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 6.3 m -133.48 171.21 18.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.895 0.379 . . . . 0.0 111.139 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.921 HG21 ' HE2' ' A' ' 10' ' ' LYS . 95.8 m -106.36 134.1 50.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.17 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.572 HG21 HD22 ' A' ' 60' ' ' LEU . 35.2 m -121.76 147.72 25.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.123 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 80.4 mt-10 -99.47 109.19 21.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.925 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.479 HG21 ' CD1' ' A' ' 11' ' ' TYR . 47.5 t -75.0 106.31 4.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 47.0 mt -80.93 -64.09 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.119 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 7.4 mtp85 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 179.961 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.55 ' CZ3' ' HB3' ' A' ' 54' ' ' TRP . 36.8 m95 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.795 0.331 . . . . 0.0 110.846 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 8.3 m0 -123.78 106.36 10.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.448 ' CE2' ' HB3' ' A' ' 52' ' ' GLU . 2.6 t80 -65.44 117.32 7.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.938 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.729 HD11 ' CE2' ' A' ' 27' ' ' PHE . 14.2 pt -126.14 163.64 27.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.182 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 38.4 ttt180 -121.99 119.85 32.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.837 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.484 ' CE2' HD12 ' A' ' 49' ' ' LEU . 44.1 t80 -134.42 131.48 38.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.014 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.484 HD12 ' CE2' ' A' ' 48' ' ' TYR . 13.2 mt 62.51 36.39 14.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.939 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 66.83 30.35 76.02 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.492 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.6 mtpm? -138.5 129.95 27.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.765 0.317 . . . . 0.0 110.91 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.448 ' HB3' ' CE2' ' A' ' 45' ' ' TYR . 2.0 mp0 -100.01 119.73 38.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -140.8 -177.7 16.44 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.458 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.55 ' HB3' ' CZ3' ' A' ' 43' ' ' TRP . 33.7 m95 -96.61 131.41 43.29 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.845 0.355 . . . . 0.0 110.929 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -140.63 144.28 35.69 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.606 0.717 . . . . 0.0 111.073 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 129.28 17.27 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.694 2.263 . . . . 0.0 112.386 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.14 -19.38 7.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.087 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 62.9 m -67.11 -35.97 80.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.828 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.466 ' O ' HD23 ' A' ' 60' ' ' LEU . 8.9 m-85 -88.62 22.61 2.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.572 HD22 HG21 ' A' ' 33' ' ' VAL . 9.9 mt -141.94 137.15 31.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.8 ptmt -131.73 130.75 42.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.6 tttm -54.37 113.25 1.2 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.874 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.757 ' HB2' HG23 ' A' ' 12' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.08 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.934 0.397 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 78.3 mttt -85.83 116.12 23.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.959 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.512 ' CE2' ' N ' ' A' ' 62' ' ' LYS . 5.9 m-85 -104.69 -177.99 3.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.619 HG23 ' HB2' ' A' ' 63' ' ' ALA . 39.4 t -132.89 146.94 31.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.142 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 70.7 p -91.96 145.01 24.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.085 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.2 m -116.56 -9.1 12.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.154 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 36.3 mm-40 -154.56 144.05 15.24 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.622 0.725 . . . . 0.0 110.883 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 141.59 45.52 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.711 2.274 . . . . 0.0 112.293 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 41.7 t80 -128.52 140.13 51.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.4 m -110.87 118.75 36.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.211 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.446 ' OG ' ' N ' ' A' ' 25' ' ' ILE . 2.0 m -99.97 125.18 45.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -110.0 27.88 9.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 35.5 t -159.23 135.62 9.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.8 tttp -45.43 -39.27 6.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.843 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -58.84 -36.38 74.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.797 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -101.59 151.79 21.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.446 ' N ' ' OG ' ' A' ' 19' ' ' SER . 12.3 tt -120.86 141.17 42.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.126 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.426 ' N ' ' HB2' ' A' ' 19' ' ' SER . . . -103.62 126.73 8.9 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.506 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 21.7 p90 -128.38 172.4 11.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.819 0.342 . . . . 0.0 110.897 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -102.66 -176.02 2.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 35.1 tttt -102.15 115.93 31.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 112.79 27.44 3.78 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.513 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 6.0 m -120.28 173.58 6.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.901 0.381 . . . . 0.0 111.108 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 98.5 m -106.93 139.28 41.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.111 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.447 HG21 HD22 ' A' ' 60' ' ' LEU . 30.1 m -134.72 146.9 30.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.177 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -102.04 111.55 23.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.923 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.488 ' HA ' HG22 ' A' ' 46' ' ' ILE . 61.9 t -70.54 122.68 22.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.161 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.625 HD11 ' HB2' ' A' ' 47' ' ' ARG . 18.0 mt -101.64 -70.18 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.169 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 40.8 mmt180 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.934 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.579 ' HB3' ' CZ3' ' A' ' 54' ' ' TRP . 12.8 m95 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.761 0.315 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 29.2 m0 -114.53 100.74 8.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.962 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.48 ' CE2' ' HB3' ' A' ' 52' ' ' GLU . 12.3 t80 -63.98 102.87 0.53 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.88 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.488 HG22 ' HA ' ' A' ' 35' ' ' VAL . 16.2 pt -109.09 168.92 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.099 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.625 ' HB2' HD11 ' A' ' 36' ' ' ILE . 24.6 ttp180 -128.01 117.26 21.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.802 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.566 ' CE2' HD12 ' A' ' 49' ' ' LEU . 20.0 t80 -125.6 126.24 44.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.566 HD12 ' CE2' ' A' ' 48' ' ' TYR . 28.3 mt 61.58 32.82 18.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.946 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.439 ' C ' ' HE3' ' A' ' 51' ' ' LYS . . . 79.16 -4.63 61.83 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.457 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.439 ' HE3' ' C ' ' A' ' 50' ' ' GLY . 0.0 OUTLIER -98.41 122.23 41.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.824 0.345 . . . . 0.0 110.891 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.48 ' HB3' ' CE2' ' A' ' 45' ' ' TYR . 34.1 mt-10 -98.94 129.3 45.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -153.93 -176.48 26.35 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.412 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.579 ' CZ3' ' HB3' ' A' ' 43' ' ' TRP . 51.5 m95 -96.88 131.88 43.2 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.789 0.328 . . . . 0.0 110.891 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -141.89 145.25 35.7 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.553 0.692 . . . . 0.0 111.062 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 122.41 9.1 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.72 2.28 . . . . 0.0 112.306 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -52.51 -19.9 2.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.126 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.8 t -64.58 -30.98 72.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.525 ' O ' HD23 ' A' ' 60' ' ' LEU . 19.7 m-85 -92.22 24.5 3.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.918 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.525 HD23 ' O ' ' A' ' 59' ' ' TYR . 9.1 mt -144.71 145.01 31.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.965 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.473 ' C ' ' CD2' ' A' ' 11' ' ' TYR . 42.9 pttt -138.65 133.67 32.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.831 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.512 ' N ' ' CE2' ' A' ' 11' ' ' TYR . 9.0 tttp -52.44 120.41 5.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.871 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.619 ' HB2' HG23 ' A' ' 12' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.039 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.93 0.395 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.828 ' HE2' HG22 ' A' ' 32' ' ' THR . 15.8 mtpt -115.81 128.0 55.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -110.52 177.58 4.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 85.8 t -126.22 128.95 72.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.112 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.632 HG22 HD23 ' A' ' 60' ' ' LEU . 73.3 p -81.96 112.59 19.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.164 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.5 m -85.44 -11.94 11.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.136 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -144.2 144.84 27.35 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.605 0.716 . . . . 0.0 110.903 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 156.68 62.77 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.685 2.256 . . . . 0.0 112.322 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.411 ' CE1' ' HD3' ' A' ' 56' ' ' PRO . 53.4 t80 -133.75 143.63 48.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.961 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.418 ' O ' ' NE2' ' A' ' 20' ' ' GLN . 85.7 m -107.45 109.45 21.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.1 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.426 ' HB3' ' N ' ' A' ' 26' ' ' GLY . 78.1 p -69.5 101.47 1.6 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.418 ' NE2' ' O ' ' A' ' 18' ' ' THR . 27.2 mp0 -68.87 -36.29 77.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.4 t -140.54 163.16 33.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.877 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -49.68 -32.79 14.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -56.86 -37.53 71.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.847 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -100.09 154.98 17.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 13.5 tt -118.17 139.57 44.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.142 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.426 ' N ' ' HB3' ' A' ' 19' ' ' SER . . . -102.67 124.65 8.24 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.453 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.621 ' CE2' HD11 ' A' ' 46' ' ' ILE . 3.0 p90 -130.61 156.17 45.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.776 0.322 . . . . 0.0 110.871 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.447 ' O ' HG22 ' A' ' 31' ' ' VAL . 1.4 pm0 -85.34 168.46 14.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.88 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 54.7 tttt -88.74 114.36 25.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.892 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 121.0 22.07 3.02 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.499 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.447 HG22 ' O ' ' A' ' 28' ' ' GLU . 4.2 m -121.27 165.4 16.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.994 0.426 . . . . 0.0 111.059 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.828 HG22 ' HE2' ' A' ' 10' ' ' LYS . 49.5 m -104.59 134.61 47.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.164 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.56 HG21 HD22 ' A' ' 60' ' ' LEU . 28.9 m -121.22 173.35 7.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.109 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.402 ' CG ' ' HE3' ' A' ' 10' ' ' LYS . 36.6 mt-10 -117.32 108.82 16.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.407 HG11 ' CE3' ' A' ' 44' ' ' TRP . 19.3 t -78.13 106.51 8.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.167 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 24.9 mt -80.14 -57.96 4.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.147 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 36.2 mmt-85 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.835 179.952 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.485 ' HB3' ' CZ3' ' A' ' 54' ' ' TRP . 13.1 m95 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.763 0.316 . . . . 0.0 110.984 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.407 ' CE3' HG11 ' A' ' 35' ' ' VAL . 12.0 m0 -111.34 104.75 13.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.902 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.551 ' CE2' ' HB3' ' A' ' 52' ' ' GLU . 3.5 t80 -63.85 116.27 5.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.952 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.621 HD11 ' CE2' ' A' ' 27' ' ' PHE . 11.7 pt -123.53 167.22 17.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.098 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 16.3 ttt180 -126.59 125.22 41.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.721 ' CE2' HD12 ' A' ' 49' ' ' LEU . 38.4 t80 -136.36 129.41 31.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.938 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.721 HD12 ' CE2' ' A' ' 48' ' ' TYR . 12.3 mt 61.97 38.63 14.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.927 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 65.59 36.36 92.35 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.509 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.6 mtmp? -143.81 126.18 15.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.862 0.363 . . . . 0.0 110.907 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.551 ' HB3' ' CE2' ' A' ' 45' ' ' TYR . 38.7 mt-10 -96.59 122.49 39.56 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -146.81 168.04 28.14 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.515 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.485 ' CZ3' ' HB3' ' A' ' 43' ' ' TRP . 63.6 m95 -80.82 129.88 34.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.709 0.29 . . . . 0.0 110.927 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -138.59 144.08 40.77 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.598 0.713 . . . . 0.0 111.113 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.411 ' HD3' ' CE1' ' A' ' 17' ' ' TYR . 53.1 Cg_endo -69.79 122.69 9.35 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.68 2.253 . . . . 0.0 112.292 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -52.51 -27.33 15.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.063 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.6 m -60.74 -28.32 68.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.854 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.402 ' CD1' ' HG2' ' A' ' 56' ' ' PRO . 2.9 m-85 -96.28 29.15 2.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.958 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.632 HD23 HG22 ' A' ' 13' ' ' THR . 9.8 mt -149.22 139.05 21.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.895 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.1 pttp -134.71 134.71 41.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.839 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.421 ' HD3' ' C ' ' A' ' 62' ' ' LYS . 5.6 tmtm? -49.85 112.42 0.66 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.082 179.837 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.943 0.401 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 30.5 mttt -89.92 111.05 21.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.931 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.538 ' CE2' ' N ' ' A' ' 62' ' ' LYS . 5.0 m-85 -101.81 -178.1 3.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.938 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.7 p -139.69 144.05 29.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.032 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.508 HG22 HD23 ' A' ' 60' ' ' LEU . 41.1 p -91.31 132.21 36.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.136 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 18.1 m -101.43 -10.24 8.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.1 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 61.3 mm-40 -148.78 144.32 18.15 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.662 0.744 . . . . 0.0 110.914 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 142.24 47.51 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.694 2.262 . . . . 0.0 112.332 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -119.47 151.19 38.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.944 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 43.1 m -120.65 95.83 4.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.177 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.418 ' HB3' ' C ' ' A' ' 25' ' ' ILE . 65.9 p -67.83 138.93 56.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 92.8 mm-40 -99.55 -40.73 7.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 74.5 m -129.58 170.25 14.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.5 ptpp? -54.29 -42.81 70.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.878 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -43.25 -45.19 5.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.906 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -98.88 157.98 15.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.869 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.496 ' CD1' ' O ' ' A' ' 51' ' ' LYS . 13.7 tt -122.42 138.25 53.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.088 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -106.35 125.06 8.0 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.478 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.463 ' CD1' HG21 ' A' ' 13' ' ' THR . 1.7 p90 -126.29 171.72 10.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.824 0.345 . . . . 0.0 110.876 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.405 ' O ' HG22 ' A' ' 31' ' ' VAL . 12.6 mt-10 -101.79 173.09 6.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.941 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 31.6 tttm -90.51 126.15 35.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.937 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 101.73 30.17 5.93 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.455 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.405 HG22 ' O ' ' A' ' 28' ' ' GLU . 16.0 m -125.63 168.07 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.922 0.391 . . . . 0.0 111.11 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 80.4 m -99.38 143.01 30.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.155 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.577 HG21 HD22 ' A' ' 60' ' ' LEU . 27.0 m -136.36 157.69 37.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.16 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -116.05 115.28 25.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.654 ' HA ' HG22 ' A' ' 46' ' ' ILE . 58.6 t -78.43 103.28 5.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.109 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.407 HD11 ' HB2' ' A' ' 47' ' ' ARG . 41.4 mt -75.29 -64.3 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.1 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 47.2 mtt180 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 179.958 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.439 ' CE3' ' HB3' ' A' ' 54' ' ' TRP . 18.1 m95 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.738 0.304 . . . . 0.0 110.954 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 14.9 m0 -116.76 112.51 21.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.946 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.525 ' CE2' ' HB3' ' A' ' 52' ' ' GLU . 3.6 t80 -75.58 123.12 24.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.963 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.654 HG22 ' HA ' ' A' ' 35' ' ' VAL . 11.3 pt -132.67 168.46 24.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.07 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.407 ' HB2' HD11 ' A' ' 36' ' ' ILE . 48.1 ttt180 -123.56 115.96 22.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.834 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.72 ' CE2' HD12 ' A' ' 49' ' ' LEU . 22.1 t80 -130.58 128.81 41.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.72 HD12 ' CE2' ' A' ' 48' ' ' TYR . 13.1 mt 62.7 41.02 9.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.875 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 60.61 35.98 90.53 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.47 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.496 ' O ' ' CD1' ' A' ' 25' ' ' ILE . 55.9 mttt -141.69 123.75 15.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.787 0.327 . . . . 0.0 110.847 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.525 ' HB3' ' CE2' ' A' ' 45' ' ' TYR . 2.1 mp0 -95.91 125.33 40.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.459 ' O ' ' CD1' ' A' ' 45' ' ' TYR . . . -150.49 -176.47 23.51 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.453 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.439 ' HB3' ' CE3' ' A' ' 43' ' ' TRP . 61.9 m95 -100.16 115.27 29.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.736 0.303 . . . . 0.0 110.964 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -122.65 142.82 38.45 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.543 0.687 . . . . 0.0 111.112 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 120.92 7.63 Favored 'Trans proline' 0 C--O 1.231 0.128 0 C-N-CA 122.685 2.256 . . . . 0.0 112.329 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -44.17 -33.15 1.43 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.092 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.0 m -49.22 -39.31 29.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.827 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.43 ' O ' HD23 ' A' ' 60' ' ' LEU . 5.9 m-85 -90.33 26.22 2.0 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.941 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.577 HD22 HG21 ' A' ' 33' ' ' VAL . 13.3 mt -146.74 152.53 38.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.829 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.49 ' C ' ' CD2' ' A' ' 11' ' ' TYR . 5.7 ptmm? -157.96 135.02 10.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.538 ' N ' ' CE2' ' A' ' 11' ' ' TYR . 58.6 tttt -48.81 123.3 6.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.934 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.07 179.88 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.906 0.384 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 29.8 mttp -106.98 116.73 32.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.936 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -107.48 176.53 5.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.899 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 24.3 t -132.38 140.7 47.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.124 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 22.5 p -89.23 135.04 33.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.127 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.453 ' CG1' ' HD3' ' A' ' 61' ' ' LYS . 7.0 m -103.05 -16.13 7.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.113 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.427 ' HB2' ' CD2' ' A' ' 59' ' ' TYR . 41.9 mm-40 -143.68 146.54 35.51 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.599 0.714 . . . . 0.0 110.903 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.65 151.24 69.67 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.732 2.288 . . . . 0.0 112.343 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 84.6 t80 -134.55 142.27 46.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.031 0.443 . . . . 0.0 110.845 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 37.1 m -109.94 116.94 32.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.176 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.404 ' HB3' ' N ' ' A' ' 26' ' ' GLY . 96.7 p -76.87 123.71 26.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.1 mp0 -82.93 -46.16 13.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.97 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.2 m -124.48 154.26 40.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.836 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -45.29 -38.19 5.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.865 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -47.92 -40.81 23.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.857 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.9 mp0 -98.99 159.37 15.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.885 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 11.7 tt -121.06 142.53 36.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.131 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.404 ' N ' ' HB3' ' A' ' 19' ' ' SER . . . -109.15 127.82 8.71 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.606 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 4.7 p90 -124.54 172.83 8.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.779 0.323 . . . . 0.0 110.927 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.49 ' O ' HG22 ' A' ' 31' ' ' VAL . 13.4 mt-10 -104.11 167.98 9.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 56.3 tttt -85.55 121.27 28.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.928 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.78 32.13 3.96 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.518 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.49 HG22 ' O ' ' A' ' 28' ' ' GLU . 18.6 m -125.75 177.92 4.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.875 0.369 . . . . 0.0 111.126 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 51.5 m -111.53 142.67 43.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.434 HG12 ' HB2' ' A' ' 48' ' ' TYR . 30.8 m -139.78 149.1 22.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.121 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -103.14 117.69 35.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 83.0 t -79.9 110.69 15.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.158 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 45.0 mt -85.11 -63.9 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.067 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 22.4 mtp85 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 -179.983 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.545 ' HB3' ' CZ3' ' A' ' 54' ' ' TRP . 21.8 m95 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.758 0.313 . . . . 0.0 110.943 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.706 ' CD1' ' HB2' ' A' ' 57' ' ' ALA . 14.5 m0 -112.36 103.91 12.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.447 ' CE1' ' C ' ' A' ' 53' ' ' GLY . 3.1 t80 -68.39 118.11 11.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.963 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 26.0 pt -122.35 170.94 11.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.132 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 14.9 ttm180 -127.86 116.36 20.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.478 ' CZ ' ' HG ' ' A' ' 49' ' ' LEU . 21.3 t80 -135.5 143.68 45.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.925 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.478 ' HG ' ' CZ ' ' A' ' 48' ' ' TYR . 11.3 mt 54.67 35.64 24.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.97 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 64.15 20.68 65.25 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.499 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.412 ' HA ' ' CE ' ' A' ' 51' ' ' LYS . 0.5 OUTLIER -125.41 136.02 52.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.804 0.335 . . . . 0.0 110.899 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -102.79 130.52 49.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.447 ' C ' ' CE1' ' A' ' 45' ' ' TYR . . . -154.73 177.09 32.23 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.474 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.545 ' CZ3' ' HB3' ' A' ' 43' ' ' TRP . 22.7 m95 -90.14 118.98 30.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.742 0.306 . . . . 0.0 110.99 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -119.48 144.13 36.03 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.606 0.717 . . . . 0.0 111.095 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.65 147.07 62.74 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.622 2.215 . . . . 0.0 112.431 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.706 ' HB2' ' CD1' ' A' ' 44' ' ' TRP . . . -85.37 22.94 1.4 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.15 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 39.8 t -112.45 -27.58 8.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.427 ' CD2' ' HB2' ' A' ' 15' ' ' GLN . 16.1 m-85 -98.51 26.99 5.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.925 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 18.1 mt -137.11 143.18 42.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.453 ' HD3' ' CG1' ' A' ' 14' ' ' VAL . 15.1 pttp -136.72 135.29 38.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.801 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' A' ' 63' ' ' ALA . 2.4 tmtt? -63.59 106.77 1.01 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 62' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.067 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.949 0.404 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 39.8 mttt -88.36 111.69 22.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.944 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.594 ' CE1' ' HD2' ' A' ' 62' ' ' LYS . 3.6 m-85 -104.07 164.67 11.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.961 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.434 HG23 ' HB2' ' A' ' 63' ' ' ALA . 88.7 t -120.71 145.79 26.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.109 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 24.8 p -95.75 113.91 25.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.157 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.449 HG23 ' HG3' ' A' ' 15' ' ' GLN . 17.0 m -86.1 -8.1 11.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.121 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.498 ' HB2' ' CD2' ' A' ' 59' ' ' TYR . 37.3 mt-30 -150.48 145.23 18.23 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.678 0.752 . . . . 0.0 110.912 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 152.39 69.56 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.674 2.249 . . . . 0.0 112.361 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -133.8 131.72 39.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 22.5 m -99.28 111.17 23.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.127 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.459 ' HB3' ' N ' ' A' ' 26' ' ' GLY . 78.5 p -74.51 133.25 42.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.936 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 95.2 mm-40 -90.7 -30.18 17.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 22' ' ' LYS . 18.8 m -154.57 163.78 39.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.824 -179.802 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.449 ' O ' ' C ' ' A' ' 23' ' ' ASP . 0.7 OUTLIER -36.04 -59.73 0.59 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.899 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' A' ' 22' ' ' LYS . 13.6 p-10 -34.43 -43.21 0.16 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.888 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 -98.47 151.58 20.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.931 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.426 ' C ' ' HB3' ' A' ' 19' ' ' SER . 13.7 tt -122.61 135.03 64.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.073 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.459 ' N ' ' HB3' ' A' ' 19' ' ' SER . . . -102.43 133.68 11.49 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.478 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.4 ' CE2' HD11 ' A' ' 46' ' ' ILE . 3.6 p90 -138.19 168.28 20.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.83 0.348 . . . . 0.0 110.867 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -96.11 173.15 7.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 45.0 tttt -92.31 116.69 29.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 116.76 24.2 3.75 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.534 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 5.8 m -116.33 -178.38 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.901 0.381 . . . . 0.0 111.147 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 92.5 m -115.12 136.57 52.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.158 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.651 HG21 HD22 ' A' ' 60' ' ' LEU . 27.1 m -126.43 166.18 23.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.155 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -122.73 113.14 18.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.959 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.545 ' HA ' HG22 ' A' ' 46' ' ' ILE . 96.4 t -76.51 112.67 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.186 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 78.8 mt -88.89 -60.04 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.154 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 58.3 mtm180 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.851 179.957 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 10.3 m95 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.741 0.305 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 11.8 m0 -115.73 106.17 13.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.523 ' CE2' ' HB3' ' A' ' 52' ' ' GLU . 3.7 t80 -62.53 116.96 5.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.545 HG22 ' HA ' ' A' ' 35' ' ' VAL . 10.3 pt -125.52 167.27 20.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.066 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 9.7 ttp180 -126.11 121.79 33.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.862 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.408 ' CE1' ' HG ' ' A' ' 49' ' ' LEU . 15.6 t80 -134.02 130.71 37.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.408 ' HG ' ' CE1' ' A' ' 48' ' ' TYR . 23.8 mt 61.13 37.77 17.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.95 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 65.19 35.16 91.32 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.491 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 15.4 ttmt -140.94 125.98 18.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.777 0.322 . . . . 0.0 110.907 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.523 ' HB3' ' CE2' ' A' ' 45' ' ' TYR . 41.7 mt-10 -95.89 125.14 40.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.918 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -147.49 -174.49 19.49 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.446 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 32.6 m95 -101.39 120.7 40.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.778 0.323 . . . . 0.0 110.926 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -127.45 144.13 49.81 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.544 0.687 . . . . 0.0 111.132 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 128.87 16.6 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.699 2.266 . . . . 0.0 112.309 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.75 -16.23 25.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.061 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.1 m -71.21 -25.25 62.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.813 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.498 ' CD2' ' HB2' ' A' ' 15' ' ' GLN . 4.3 m-85 -101.5 22.25 12.95 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.651 HD22 HG21 ' A' ' 33' ' ' VAL . 14.7 mt -138.35 137.2 37.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.91 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.75 131.76 39.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.594 ' HD2' ' CE1' ' A' ' 11' ' ' TYR . 15.8 tptm -57.72 120.5 8.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.434 ' HB2' HG23 ' A' ' 12' ' ' VAL . . . . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.076 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 79.8 mt-10 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.89 0.376 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 33.2 mttm -100.12 118.99 37.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.969 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.489 ' CE1' ' CD ' ' A' ' 62' ' ' LYS . 3.9 m-85 -104.7 177.47 4.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.953 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.414 ' HB ' ' CG ' ' A' ' 61' ' ' LYS . 44.5 t -132.26 144.38 37.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.136 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 42.1 p -95.77 119.61 34.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.109 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.458 HG23 ' HG3' ' A' ' 15' ' ' GLN . 16.5 m -93.8 -9.24 9.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.519 ' HB2' ' CD2' ' A' ' 59' ' ' TYR . 45.7 mt-30 -146.86 142.99 17.74 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.608 0.718 . . . . 0.0 110.906 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 150.68 68.66 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.719 2.279 . . . . 0.0 112.343 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 45.8 t80 -132.17 142.52 49.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.5 m -113.06 110.21 20.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.123 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.8 p -61.79 110.69 1.6 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -112.75 26.41 10.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.878 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.478 ' HB2' ' CG ' ' A' ' 24' ' ' GLU . 3.3 m -152.04 157.03 41.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.927 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 56.4 pttt -61.29 -28.72 69.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -109.46 34.55 3.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.481 ' OE2' ' CH2' ' A' ' 43' ' ' TRP . 31.8 mm-40 -123.82 141.72 51.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.879 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.427 ' CD1' ' HB3' ' A' ' 51' ' ' LYS . 14.6 tt -115.82 137.48 49.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.153 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -109.02 120.46 5.86 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.48 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 4.0 p90 -122.04 159.66 26.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.891 0.377 . . . . 0.0 110.834 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -92.19 174.44 7.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.848 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.9 tttp -92.78 125.18 37.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.56 28.78 5.29 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.516 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 15.3 m -123.46 -175.82 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.868 0.366 . . . . 0.0 111.116 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 52.3 m -119.8 140.19 51.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.126 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.6 m -131.62 -178.71 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -134.58 115.84 14.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.946 ' HA ' HG22 ' A' ' 46' ' ' ILE . 40.9 t -78.71 110.05 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.154 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.549 HG22 ' HG2' ' A' ' 37' ' ' ARG . 17.6 mt -84.58 -64.28 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.108 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.549 ' HG2' HG22 ' A' ' 36' ' ' ILE . 26.1 mmt180 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.877 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.532 ' CZ3' ' HB3' ' A' ' 54' ' ' TRP . 34.3 m95 . . . . . 0 N--CA 1.458 -0.073 0 CA-C-O 120.737 0.304 . . . . 0.0 110.943 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.492 ' CG ' ' HB2' ' A' ' 57' ' ' ALA . 33.0 m0 -112.93 103.04 11.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.48 ' CE2' ' HB3' ' A' ' 52' ' ' GLU . 7.0 t80 -57.88 122.61 13.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.936 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.946 HG22 ' HA ' ' A' ' 35' ' ' VAL . 8.1 pt -136.0 168.49 22.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.142 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 28.3 ttp180 -125.79 121.15 32.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.458 ' CE2' HD12 ' A' ' 49' ' ' LEU . 13.2 t80 -131.7 126.68 35.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.958 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.458 HD12 ' CE2' ' A' ' 48' ' ' TYR . 13.1 mt 62.73 40.58 9.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.899 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 63.59 37.25 94.47 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.433 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.427 ' HB3' ' CD1' ' A' ' 25' ' ' ILE . 14.2 ttpt -143.8 122.19 12.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.794 0.331 . . . . 0.0 110.904 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.48 ' HB3' ' CE2' ' A' ' 45' ' ' TYR . 28.4 mt-10 -96.61 122.04 39.09 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.875 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -149.52 175.46 28.69 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.502 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.532 ' HB3' ' CZ3' ' A' ' 43' ' ' TRP . 30.8 m95 -86.35 133.9 33.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.78 0.324 . . . . 0.0 110.987 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -146.6 143.95 19.74 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.555 0.693 . . . . 0.0 111.128 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 124.9 11.53 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.677 2.251 . . . . 0.0 112.338 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.529 ' HA ' HD12 ' A' ' 60' ' ' LEU . . . -57.53 -27.28 62.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.182 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 41.5 t -55.71 -26.1 43.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.834 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.519 ' CD2' ' HB2' ' A' ' 15' ' ' GLN . 3.2 m-85 -99.51 23.36 9.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.529 HD12 ' HA ' ' A' ' 57' ' ' ALA . 22.8 mt -135.26 143.68 46.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.873 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.414 ' CG ' ' HB ' ' A' ' 12' ' ' VAL . 4.8 ptmm? -137.11 130.69 31.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.489 ' CD ' ' CE1' ' A' ' 11' ' ' TYR . 18.0 tptp -62.7 104.84 0.57 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.074 179.875 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.896 0.379 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.537 ' CG ' ' CD ' ' A' ' 34' ' ' GLU . 17.2 mtmm -117.08 122.43 44.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.888 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -105.63 -178.89 3.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.96 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 40.4 t -126.82 143.28 40.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.149 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.509 HG21 ' CD1' ' A' ' 27' ' ' PHE . 32.3 p -92.0 132.54 36.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.13 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.619 HG23 ' HG3' ' A' ' 15' ' ' GLN . 28.9 m -107.27 -11.41 10.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.085 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.619 ' HG3' HG23 ' A' ' 14' ' ' VAL . 62.3 mt-30 -146.7 144.0 19.66 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.653 0.74 . . . . 0.0 110.884 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.69 140.4 42.84 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.688 2.259 . . . . 0.0 112.356 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -122.21 143.82 49.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 59.0 m -119.1 102.38 8.69 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.164 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 82.1 p -72.11 127.58 33.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 81.6 mm-40 -81.79 -36.88 27.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 16.8 m -125.04 168.32 13.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.942 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -55.88 -47.4 77.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -39.78 -40.69 0.99 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.829 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.9 mp0 -98.16 154.03 18.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 12.7 tt -121.52 136.24 59.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.113 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -103.72 129.5 9.89 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.478 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.509 ' CD1' HG21 ' A' ' 13' ' ' THR . 3.8 p90 -129.01 166.95 18.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.777 0.322 . . . . 0.0 110.95 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.563 ' O ' HG22 ' A' ' 31' ' ' VAL . 14.3 mt-10 -95.23 162.76 13.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 24.0 tttm -80.89 116.09 20.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.945 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 114.03 32.27 2.07 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.499 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.563 HG22 ' O ' ' A' ' 28' ' ' GLU . 15.5 m -128.4 177.41 6.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.883 0.373 . . . . 0.0 111.116 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.45 ' CG2' ' HD2' ' A' ' 10' ' ' LYS . 52.4 m -110.52 136.75 49.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.165 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.694 HG21 HD22 ' A' ' 60' ' ' LEU . 19.3 m -126.89 145.28 34.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.135 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.537 ' CD ' ' CG ' ' A' ' 10' ' ' LYS . 5.1 mm-40 -105.8 109.93 22.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.903 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.651 HG22 HG22 ' A' ' 46' ' ' ILE . 63.8 t -74.77 122.62 28.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.138 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.48 ' CD1' ' HG2' ' A' ' 52' ' ' GLU . 80.4 mt -93.67 -52.49 9.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.121 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.852 179.969 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.56 ' CE3' ' HB3' ' A' ' 54' ' ' TRP . 24.9 m95 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.707 0.289 . . . . 0.0 110.934 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 8.8 m0 -122.98 117.25 25.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -75.32 114.56 13.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.936 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.651 HG22 HG22 ' A' ' 35' ' ' VAL . 6.6 pt -123.1 169.31 14.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.088 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.478 ' HB2' HD11 ' A' ' 36' ' ' ILE . 50.1 ttt180 -125.13 129.41 50.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.942 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.471 ' CE1' ' HG ' ' A' ' 49' ' ' LEU . 19.7 t80 -142.68 133.01 24.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.949 -179.813 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.471 ' HG ' ' CE1' ' A' ' 48' ' ' TYR . 35.8 mt 61.21 33.51 19.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 71.48 28.21 69.97 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.452 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 19.1 mtmt -136.79 126.45 25.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.792 0.33 . . . . 0.0 110.881 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.48 ' HG2' ' CD1' ' A' ' 36' ' ' ILE . 4.4 mp0 -95.92 120.43 36.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.872 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -144.09 179.47 21.39 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.455 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.56 ' HB3' ' CE3' ' A' ' 43' ' ' TRP . 45.3 m95 -92.49 125.06 36.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.748 0.309 . . . . 0.0 110.909 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.499 ' HB3' HG12 ' A' ' 46' ' ' ILE . . . -128.54 144.23 51.33 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.575 0.702 . . . . 0.0 111.112 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 120.14 6.97 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.717 2.278 . . . . 0.0 112.298 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.66 -20.49 8.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.116 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.0 m -68.94 -24.02 64.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.882 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -97.77 17.85 17.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.694 HD22 HG21 ' A' ' 33' ' ' VAL . 12.9 mt -134.17 141.83 47.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.883 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.2 ptmt -131.13 133.4 45.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -57.91 115.81 3.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.855 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.047 179.826 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.0 m -56.53 -59.59 4.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.869 0.366 . . . . 0.0 110.826 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.2 m 43.69 43.09 4.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.79 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.66 -71.33 0.28 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.488 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.5 p 40.93 40.99 1.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.927 0.394 . . . . 0.0 110.913 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.2 m -126.49 142.76 51.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.803 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.402 ' HA3' ' CD ' ' A' ' 34' ' ' GLU . . . -170.61 -166.09 28.97 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.835 -0.697 . . . . 0.0 112.617 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -99.33 -59.71 1.67 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.838 0.351 . . . . 0.0 110.924 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -128.19 109.6 11.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.808 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 27.1 mttp -87.01 119.58 27.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.914 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -108.92 173.61 6.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.956 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 31' ' ' VAL . 11.1 p -131.89 142.13 43.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.109 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 16.2 p -87.12 138.24 31.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.169 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.488 HG23 ' HG3' ' A' ' 15' ' ' GLN . 14.8 m -108.14 -7.6 10.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.115 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.502 ' HB2' ' CD2' ' A' ' 59' ' ' TYR . 60.1 mt-30 -152.21 146.31 18.36 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.643 0.735 . . . . 0.0 110.872 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.83 141.22 44.36 Favored 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.666 2.244 . . . . 0.0 112.37 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.418 ' CE1' ' HG3' ' A' ' 56' ' ' PRO . 62.2 t80 -129.55 130.25 45.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 88.6 m -101.85 116.34 32.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.095 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.1 p -77.64 130.84 37.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.816 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.6 mp0 -83.99 -36.43 23.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.989 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 64.3 m -135.59 164.88 26.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 23' ' ' ASP . 42.5 mtpt -49.45 -49.57 44.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.941 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 22' ' ' LYS . 10.6 m-20 -38.14 -37.09 0.25 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -104.81 149.58 25.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.944 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 9.9 tt -114.78 133.64 60.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.153 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -102.08 132.82 11.13 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.517 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -131.19 -178.03 4.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.844 0.354 . . . . 0.0 110.885 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -108.93 172.78 6.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 43.3 tttt -90.46 119.26 30.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 109.42 30.36 3.6 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.466 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.416 ' O ' HG23 ' A' ' 12' ' ' VAL . 9.4 m -123.62 166.75 18.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.966 0.412 . . . . 0.0 111.103 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 95.6 m -101.12 134.83 43.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.16 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 15.8 m -126.81 158.02 37.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.159 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.402 ' CD ' ' HA3' ' A' ' 7' ' ' GLY . 7.1 mm-40 -112.42 109.45 19.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 61.8 t -75.22 113.72 14.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.145 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.581 HD11 ' HB2' ' A' ' 47' ' ' ARG . 13.4 mt -94.35 -59.67 2.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.103 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 20.1 mmm180 -115.12 156.81 24.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.536 ' HD3' ' CH2' ' A' ' 44' ' ' TRP . 38.3 mtmt -135.77 108.21 7.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -95.16 -175.41 3.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 11.6 mt -99.94 -31.14 11.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.98 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 42' ' ' GLY . 2.0 mp0 -77.12 58.73 1.6 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.955 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 41' ' ' GLU . . . 36.12 40.8 0.41 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.539 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.523 ' HB3' ' CZ3' ' A' ' 54' ' ' TRP . 12.9 m95 -125.08 111.65 15.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.785 0.326 . . . . 0.0 110.876 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.536 ' CH2' ' HD3' ' A' ' 38' ' ' LYS . 11.7 m0 -118.43 106.25 12.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.898 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.549 ' CE2' ' HB3' ' A' ' 52' ' ' GLU . 3.4 t80 -64.54 115.41 5.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.944 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 7.1 pt -121.92 173.39 7.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.135 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.581 ' HB2' HD11 ' A' ' 36' ' ' ILE . 6.6 ttm105 -127.23 121.05 30.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.912 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.44 ' CZ ' ' HG ' ' A' ' 49' ' ' LEU . 38.1 t80 -144.1 144.97 31.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.44 ' HG ' ' CZ ' ' A' ' 48' ' ' TYR . 13.8 mt 54.51 34.75 21.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.924 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 62.51 36.31 92.99 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.451 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 25.6 mtpt -147.25 136.34 22.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.709 0.29 . . . . 0.0 110.867 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.549 ' HB3' ' CE2' ' A' ' 45' ' ' TYR . 39.1 mt-10 -101.85 126.2 48.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.864 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -147.59 179.91 24.12 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.51 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.523 ' CZ3' ' HB3' ' A' ' 43' ' ' TRP . 64.3 m95 -95.29 126.37 40.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.667 0.27 . . . . 0.0 110.942 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -133.01 145.74 58.29 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.577 0.703 . . . . 0.0 111.175 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.418 ' HG3' ' CE1' ' A' ' 17' ' ' TYR . 53.7 Cg_endo -69.76 121.78 8.47 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.701 2.268 . . . . 0.0 112.386 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.682 ' HA ' HD12 ' A' ' 60' ' ' LEU . . . -53.48 -24.12 12.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.077 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.1 m -59.55 -38.99 82.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.831 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.502 ' CD2' ' HB2' ' A' ' 15' ' ' GLN . 16.4 m-85 -89.43 29.31 1.13 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.682 HD12 ' HA ' ' A' ' 57' ' ' ALA . 9.7 mt -144.21 152.29 40.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.945 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 47.1 pttt -153.23 144.34 23.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 46.3 tttm -62.85 125.64 24.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -79.28 155.24 28.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.041 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -122.67 101.71 7.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -84.4 135.35 34.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.834 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 80.9 p -96.16 127.45 42.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.819 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -164.54 160.14 33.2 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.557 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 69' ' ' SER . 53.5 Cg_endo -69.65 -18.46 37.53 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.648 2.232 . . . . 0.0 112.351 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 68' ' ' PRO . 1.3 t -38.22 129.78 1.28 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.871 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.9 m -106.83 108.09 19.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.857 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.491 179.974 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -57.86 170.11 0.66 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.829 0.347 . . . . 0.0 110.907 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 t -167.11 165.3 15.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 64.69 82.68 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.511 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.6 p -151.55 154.37 36.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.913 0.387 . . . . 0.0 110.895 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.5 p -102.02 -51.04 3.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.884 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.71 106.41 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.498 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -107.64 -52.27 2.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.839 0.352 . . . . 0.0 110.883 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -133.37 123.79 26.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.834 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.8 mttp -97.56 118.1 33.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.977 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -110.5 170.41 8.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.963 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 14.2 p -127.43 147.64 32.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.167 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.574 HG22 HD23 ' A' ' 60' ' ' LEU . 77.3 p -94.39 134.51 36.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.081 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.6 m -103.78 -14.81 8.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.16 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 34.8 mm-40 -146.38 148.26 33.77 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.605 0.716 . . . . 0.0 110.859 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 151.46 69.19 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.688 2.259 . . . . 0.0 112.358 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -131.56 141.95 49.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 57.8 m -109.44 106.29 15.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.161 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.401 ' HB3' ' C ' ' A' ' 25' ' ' ILE . 27.9 p -74.54 117.15 16.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.832 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 97.9 mm-40 -74.09 -47.32 37.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.99 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 36.8 m -125.25 165.63 17.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' A' ' 23' ' ' ASP . 91.2 mttt -47.45 -54.35 11.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.848 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 22' ' ' LYS . 7.7 p-10 -35.82 -35.04 0.06 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.867 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 22' ' ' LYS . 19.3 mt-10 -103.12 146.45 28.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.865 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.401 ' C ' ' HB3' ' A' ' 19' ' ' SER . 16.1 tt -111.82 137.55 44.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.104 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -102.43 131.99 10.82 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.484 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.7 p90 -134.18 179.21 6.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.86 0.362 . . . . 0.0 110.851 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -112.09 173.72 6.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 28.8 tttm -89.51 115.07 26.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 114.3 34.44 1.61 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.487 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.9 m -130.38 161.65 39.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.855 0.36 . . . . 0.0 111.2 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 95.7 m -95.07 135.12 37.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.74 HG21 HD22 ' A' ' 60' ' ' LEU . 28.7 m -126.78 155.7 37.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.172 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.0 mp0 -113.36 107.14 15.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.949 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.643 ' HA ' HG22 ' A' ' 46' ' ' ILE . 85.0 t -73.37 106.54 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.172 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.701 HG22 ' HG3' ' A' ' 37' ' ' ARG . 66.5 mt -76.3 -61.74 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.11 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.701 ' HG3' HG22 ' A' ' 36' ' ' ILE . 65.6 mtt180 -132.79 162.23 32.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.876 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 61.4 mttt -120.78 143.89 48.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.892 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.442 ' CB ' ' O ' ' A' ' 43' ' ' TRP . 11.6 t-20 -120.84 163.26 18.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.953 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.1 mt -80.7 -34.69 34.39 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.948 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -78.33 52.77 1.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.882 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 42.0 40.1 3.13 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.525 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.525 ' HB3' ' CZ3' ' A' ' 54' ' ' TRP . 9.8 m95 -122.94 113.52 19.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.669 0.271 . . . . 0.0 110.915 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 13.6 m0 -118.68 108.9 15.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.945 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.528 ' CE2' ' HB3' ' A' ' 52' ' ' GLU . 3.0 t80 -68.4 116.16 8.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.643 HG22 ' HA ' ' A' ' 35' ' ' VAL . 8.1 pt -122.76 171.96 10.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.128 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.414 ' HB2' ' NH1' ' A' ' 47' ' ' ARG . 16.7 ttm105 -123.18 126.74 47.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.839 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -147.16 134.53 20.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.969 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 18.6 mt 61.23 39.67 15.46 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.923 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 60.2 35.45 87.95 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.474 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.4 135.37 22.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.769 0.319 . . . . 0.0 110.902 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.528 ' HB3' ' CE2' ' A' ' 45' ' ' TYR . 2.2 mp0 -102.3 123.83 46.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -146.45 -179.17 22.41 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.426 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.525 ' CZ3' ' HB3' ' A' ' 43' ' ' TRP . 60.9 m95 -91.17 137.52 32.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.741 0.305 . . . . 0.0 110.923 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -147.05 144.12 19.32 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.528 0.68 . . . . 0.0 111.159 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.85 126.77 13.64 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.672 2.248 . . . . 0.0 112.328 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.04 -21.33 30.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.121 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 14.9 m -63.15 -29.58 70.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.848 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -95.54 17.41 14.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.932 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.74 HD22 HG21 ' A' ' 33' ' ' VAL . 11.7 mt -139.35 141.65 37.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.93 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 18.0 pttp -142.4 138.1 30.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.83 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 11.8 tttp -55.28 124.84 18.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.92 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -84.65 145.75 27.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.077 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.8 ttmm -135.68 135.0 39.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -109.02 132.09 54.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 14.6 m -68.13 -53.68 23.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -89.78 -158.98 35.0 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.51 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.8 100.97 0.86 Allowed 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.692 2.261 . . . . 0.0 112.339 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 90.5 p -56.64 160.88 3.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.9 t -96.5 132.13 42.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.843 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.47 -179.966 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 N-CA-C 112.544 -0.223 . . . . 0.0 112.544 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.3 t -118.82 166.21 13.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.879 0.371 . . . . 0.0 110.768 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.4 m -100.1 -52.02 3.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.885 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.76 153.65 11.38 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.466 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.4 m -48.03 97.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.827 0.346 . . . . 0.0 110.816 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.7 m -156.26 117.18 3.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.69 93.83 0.14 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.484 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -66.03 -46.14 78.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.839 0.352 . . . . 0.0 110.881 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -128.73 132.47 47.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.43 ' HD2' HG21 ' A' ' 32' ' ' THR . 4.3 mtmp? -108.4 120.17 41.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.525 ' CD2' ' C ' ' A' ' 61' ' ' LYS . 6.2 m-85 -106.07 -177.82 3.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.857 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.648 HG23 ' HB2' ' A' ' 63' ' ' ALA . 61.6 t -131.96 146.83 32.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.146 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 43.9 p -94.7 117.36 30.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.119 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.552 HG23 ' HG3' ' A' ' 15' ' ' GLN . 23.8 m -91.69 -6.02 10.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.17 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.552 ' HG3' HG23 ' A' ' 14' ' ' VAL . 40.0 mt-30 -157.19 144.01 13.38 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.654 0.74 . . . . 0.0 110.903 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.68 147.48 63.47 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.692 2.261 . . . . 0.0 112.392 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -127.69 136.33 51.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.942 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 25.6 m -108.68 102.52 11.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.184 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.9 p -75.16 125.2 28.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.855 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 10.5 mp0 -91.68 -25.5 19.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.872 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 33.4 p -119.77 161.28 21.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.837 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -63.99 -40.29 96.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.956 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -53.38 -24.36 12.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -107.05 154.67 20.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 15.5 tt -121.58 141.63 41.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.139 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -107.47 129.7 9.78 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.486 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.602 ' CE2' HD11 ' A' ' 46' ' ' ILE . 2.8 p90 -127.98 167.0 17.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.836 0.351 . . . . 0.0 110.901 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -98.61 174.82 6.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 51.3 tttt -94.0 120.98 35.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 111.06 32.33 2.64 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.531 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 17.3 m -130.3 -177.07 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.908 0.385 . . . . 0.0 111.121 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.43 HG21 ' HD2' ' A' ' 10' ' ' LYS . 98.8 m -118.49 137.28 53.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.184 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.438 HG21 HD22 ' A' ' 60' ' ' LEU . 27.7 m -126.15 152.3 33.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.125 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.8 mp0 -107.38 109.32 21.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.942 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.485 HG11 ' HE2' ' A' ' 38' ' ' LYS . 80.2 t -72.64 114.57 11.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.16 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.509 HD11 ' HB2' ' A' ' 47' ' ' ARG . 22.5 mt -88.06 -59.71 2.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.096 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.438 ' HG2' HG22 ' A' ' 36' ' ' ILE . 3.6 mmp_? -119.91 164.1 16.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.838 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.485 ' HE2' HG11 ' A' ' 35' ' ' VAL . 83.1 mttt -138.65 124.11 19.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -112.1 -176.36 2.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 24.8 tp -100.1 -28.42 13.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.877 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 42' ' ' GLY . 7.4 mm-40 -77.46 55.63 1.29 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.906 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 41' ' ' GLU . . . 37.22 43.22 0.94 Allowed Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.505 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.534 ' HB3' ' CZ3' ' A' ' 54' ' ' TRP . 7.7 m95 -128.5 116.42 19.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.778 0.323 . . . . 0.0 110.968 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 9.0 m0 -121.72 105.08 10.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.427 ' CE2' ' HB3' ' A' ' 52' ' ' GLU . 3.2 t80 -62.95 104.93 0.61 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.904 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.602 HD11 ' CE2' ' A' ' 27' ' ' PHE . 12.5 pt -114.74 161.82 13.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.156 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.509 ' HB2' HD11 ' A' ' 36' ' ' ILE . 22.5 ttp180 -120.99 125.62 47.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.591 ' CE2' HD12 ' A' ' 49' ' ' LEU . 17.9 t80 -139.57 131.68 28.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.949 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.591 HD12 ' CE2' ' A' ' 48' ' ' TYR . 21.0 mt 60.62 40.99 15.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 61.31 36.58 92.67 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.479 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.9 mmmt -142.78 130.56 21.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.785 0.326 . . . . 0.0 110.915 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.427 ' HB3' ' CE2' ' A' ' 45' ' ' TYR . 51.4 mt-10 -99.71 126.2 45.71 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -151.77 170.64 31.23 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.47 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.534 ' CZ3' ' HB3' ' A' ' 43' ' ' TRP . 65.7 m95 -88.76 126.28 35.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.824 0.345 . . . . 0.0 110.904 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -132.81 144.36 52.57 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.58 0.705 . . . . 0.0 111.124 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 124.62 11.29 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.712 2.275 . . . . 0.0 112.342 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -53.5 -21.81 7.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.118 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 16.9 t -63.51 -29.48 70.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.844 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -95.52 15.7 19.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.93 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.438 HD22 HG21 ' A' ' 33' ' ' VAL . 13.1 mt -133.86 136.66 44.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.942 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.525 ' C ' ' CD2' ' A' ' 11' ' ' TYR . 4.0 ptmm? -124.87 144.46 50.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.489 ' HG2' ' CZ ' ' A' ' 11' ' ' TYR . 3.2 tmtp? -69.31 106.8 3.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.867 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.648 ' HB2' HG23 ' A' ' 12' ' ' VAL . . . -62.38 145.71 53.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.15 179.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 65' ' ' ASP . 27.8 ttpt 62.36 37.27 13.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.852 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 64' ' ' LYS . 1.1 m-20 -38.15 153.21 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.933 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 33.5 t -133.36 117.72 17.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.891 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 60.8 82.08 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.542 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -25.37 28.41 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.723 2.282 . . . . 0.0 112.293 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 48.4 p -103.32 124.65 49.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.8 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 69.6 m -97.2 82.05 3.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.847 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.455 -179.974 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.243 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.8 p -114.78 81.08 1.5 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.873 0.368 . . . . 0.0 110.902 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.9 m -61.57 100.07 0.13 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.839 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 83.31 91.48 0.68 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.481 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 m -101.81 -58.16 1.93 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.896 0.379 . . . . 0.0 110.893 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.6 t -128.1 82.7 2.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.852 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.26 52.45 0.77 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.535 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -75.96 -40.07 54.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.833 0.349 . . . . 0.0 110.914 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -128.49 122.74 31.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 29.4 mttm -104.16 124.13 48.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.431 ' CD2' ' C ' ' A' ' 61' ' ' LYS . 7.6 m-85 -110.74 165.84 11.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.86 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 15.0 p -127.87 144.59 37.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.158 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 67.5 p -85.99 136.65 33.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.422 ' O ' ' NE2' ' A' ' 15' ' ' GLN . 14.1 m -107.26 -15.37 9.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.125 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.422 ' NE2' ' O ' ' A' ' 14' ' ' VAL . 98.9 mm-40 -149.09 147.67 24.55 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.609 0.719 . . . . 0.0 110.919 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 141.08 44.29 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.639 2.226 . . . . 0.0 112.333 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 37.8 t80 -130.07 146.77 51.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.918 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 90.8 m -122.63 105.26 9.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.099 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 97.1 p -63.45 132.1 50.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 15.6 mp0 -77.95 -39.0 44.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.956 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.9 m -130.56 177.36 7.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.821 -179.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.0 pttp -61.56 -37.03 82.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.59 -33.62 15.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.883 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -106.99 154.35 21.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 13.2 tt -117.88 133.21 65.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.115 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -102.79 132.47 11.02 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.487 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.565 ' HE2' HD11 ' A' ' 46' ' ' ILE . 1.1 p90 -133.61 -179.95 5.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.832 0.349 . . . . 0.0 110.851 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -101.39 176.81 5.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.864 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 28.4 tttt -96.44 118.14 32.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 114.88 26.73 3.47 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.498 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.0 m -123.14 162.11 23.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.948 0.404 . . . . 0.0 111.116 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 84.8 m -96.35 136.61 36.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.166 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.8 HG21 HD22 ' A' ' 60' ' ' LEU . 19.6 m -129.81 155.61 41.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.061 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -112.07 126.28 55.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.614 ' HA ' HG22 ' A' ' 46' ' ' ILE . 22.1 t -89.51 108.04 18.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.085 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.426 HG22 ' HG3' ' A' ' 37' ' ' ARG . 93.1 mt -77.19 -65.38 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.169 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.426 ' HG3' HG22 ' A' ' 36' ' ' ILE . 40.1 mtt180 -128.33 159.42 35.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.81 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.558 ' HE3' HG11 ' A' ' 35' ' ' VAL . 40.3 mttt -126.66 156.51 40.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.937 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 64.4 m-20 -166.27 153.57 9.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.947 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.5 mm? 42.49 26.24 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.914 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 40.2 31.4 0.1 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -143.19 -43.58 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.458 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 41.0 m95 -103.58 105.39 15.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.8 0.333 . . . . 0.0 110.873 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.671 ' O ' HG23 ' A' ' 46' ' ' ILE . 7.1 m0 -116.41 104.52 11.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.91 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.576 ' CE2' ' HB3' ' A' ' 52' ' ' GLU . 12.0 t80 -51.48 110.53 0.46 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.915 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.671 HG23 ' O ' ' A' ' 44' ' ' TRP . 8.0 pt -116.33 170.76 5.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.089 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 51.6 ttp180 -131.11 127.97 39.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.814 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.63 ' CE2' HD12 ' A' ' 49' ' ' LEU . 19.1 t80 -141.07 135.86 31.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.882 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.63 HD12 ' CE2' ' A' ' 48' ' ' TYR . 12.7 mt 60.64 32.29 20.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.987 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 72.12 21.16 79.29 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.448 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.64 125.56 36.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.761 0.315 . . . . 0.0 110.919 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.576 ' HB3' ' CE2' ' A' ' 45' ' ' TYR . 3.1 mp0 -97.75 126.71 43.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.948 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -155.03 175.97 32.86 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.483 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 61.9 m95 -85.28 124.83 32.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.773 0.32 . . . . 0.0 110.898 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -130.74 146.87 63.81 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.569 0.7 . . . . 0.0 111.103 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 123.98 10.64 Favored 'Trans proline' 0 N--CA 1.466 -0.133 0 C-N-CA 122.73 2.287 . . . . 0.0 112.337 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.601 ' HB1' ' CH2' ' A' ' 44' ' ' TRP . . . -56.95 -24.53 53.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.062 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.0 m -61.74 -36.72 81.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.905 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.428 ' O ' HD23 ' A' ' 60' ' ' LEU . 68.1 m-85 -89.66 26.2 1.81 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.956 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.8 HD22 HG21 ' A' ' 33' ' ' VAL . 10.1 mt -146.32 138.95 25.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.938 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.431 ' C ' ' CD2' ' A' ' 11' ' ' TYR . 18.5 ptmt -140.22 138.04 34.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.17 111.09 0.7 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.839 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -86.31 143.68 27.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.062 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.0 mmmt -84.74 169.87 13.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -151.34 159.91 44.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.6 t -56.92 137.32 55.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 138.43 146.52 5.01 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.483 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.446 ' O ' ' C ' ' A' ' 69' ' ' SER . 54.0 Cg_endo -69.79 -38.11 8.18 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.738 2.292 . . . . 0.0 112.344 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 68' ' ' PRO . 3.5 m -34.82 116.8 0.35 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 17.6 t -122.39 91.92 3.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.478 179.986 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.4 t -68.14 119.38 12.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.926 0.393 . . . . 0.0 110.851 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.6 t -39.04 -56.99 1.34 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.885 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.3 -53.26 0.76 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.471 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 m -66.19 160.55 23.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.951 0.405 . . . . 0.0 110.792 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.7 m -92.21 168.91 11.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.778 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.67 -168.41 0.43 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.556 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -109.78 -60.89 1.72 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.847 0.356 . . . . 0.0 110.971 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -138.52 106.34 5.65 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.895 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.916 ' HE2' HG21 ' A' ' 32' ' ' THR . 33.8 mtpt -76.69 112.79 13.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -100.79 173.61 6.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 63.0 t -123.98 136.82 59.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.155 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.511 HG22 HD23 ' A' ' 60' ' ' LEU . 43.1 p -90.17 117.24 28.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.626 HG23 ' HG3' ' A' ' 15' ' ' GLN . 16.8 m -87.38 -8.97 11.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.141 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.626 ' HG3' HG23 ' A' ' 14' ' ' VAL . 33.1 mt-30 -150.33 144.08 17.13 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.565 0.698 . . . . 0.0 110.917 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 151.12 68.82 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.661 2.241 . . . . 0.0 112.346 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -132.91 138.39 46.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 58.1 m -105.82 116.3 31.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.124 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.422 ' HB3' ' C ' ' A' ' 25' ' ' ILE . 22.3 p -76.58 119.36 20.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.811 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 96.1 mm-40 -83.86 -31.2 25.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.872 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 31.1 m -143.37 160.1 41.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.847 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 43.8 tttm -46.61 -41.59 14.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.877 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -48.78 -35.71 14.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.902 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -106.86 145.13 32.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.461 HD11 ' HB3' ' A' ' 51' ' ' LYS . 16.3 tt -107.28 144.56 15.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.092 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -108.06 131.09 10.42 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.426 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 1.8 p90 -134.34 170.64 15.43 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.787 0.327 . . . . 0.0 110.83 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -103.67 178.56 4.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.837 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 59.5 tttt -94.7 122.98 37.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 106.28 35.67 2.86 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.469 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 16.2 m -132.42 173.88 14.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.916 0.389 . . . . 0.0 111.082 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.916 HG21 ' HE2' ' A' ' 10' ' ' LYS . 78.6 m -109.67 133.85 52.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.159 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.745 HG21 HD22 ' A' ' 60' ' ' LEU . 30.9 m -123.79 141.91 42.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.092 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -99.36 113.5 25.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.915 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.584 HG22 HG22 ' A' ' 46' ' ' ILE . 74.8 t -79.93 114.36 20.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.156 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.429 HG22 ' HD2' ' A' ' 37' ' ' ARG . 18.9 mt -83.81 -60.94 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.186 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.429 ' HD2' HG22 ' A' ' 36' ' ' ILE . 0.5 OUTLIER -114.96 168.76 9.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.493 ' HD3' ' CZ2' ' A' ' 44' ' ' TRP . 32.1 mttp -135.9 152.3 50.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 33.9 t30 -147.83 143.36 27.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.844 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 41' ' ' GLU . 11.4 mt -74.95 -47.21 30.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 40' ' ' LEU . 17.0 mt-10 -37.64 -46.66 0.89 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 138.22 42.85 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.443 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.426 ' HB3' ' CZ3' ' A' ' 54' ' ' TRP . 31.3 m95 -141.51 121.32 13.52 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.779 0.323 . . . . 0.0 110.974 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.493 ' CZ2' ' HD3' ' A' ' 38' ' ' LYS . 9.1 m0 -121.31 107.49 12.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.957 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -68.1 115.46 7.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.967 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.584 HG22 HG22 ' A' ' 35' ' ' VAL . 34.0 pt -123.18 168.21 15.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.14 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 30.6 ttt180 -123.92 123.92 41.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.881 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.574 ' CE1' ' HG ' ' A' ' 49' ' ' LEU . 23.9 t80 -137.66 130.08 29.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.888 -179.8 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.574 ' HG ' ' CE1' ' A' ' 48' ' ' TYR . 53.7 mt 60.24 42.15 15.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.944 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 63.27 27.88 71.36 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.495 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.461 ' HB3' HD11 ' A' ' 25' ' ' ILE . 14.2 ttmm -133.25 130.85 39.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.779 0.323 . . . . 0.0 110.902 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.409 ' N ' ' OE1' ' A' ' 52' ' ' GLU . 2.6 mp0 -106.13 120.44 41.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -146.1 -175.35 19.06 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.45 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.426 ' CZ3' ' HB3' ' A' ' 43' ' ' TRP . 38.8 m95 -97.21 133.01 42.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.72 0.295 . . . . 0.0 110.988 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -144.28 147.0 35.43 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.614 0.721 . . . . 0.0 111.046 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 126.52 13.42 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.734 2.29 . . . . 0.0 112.337 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.58 -12.59 10.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.097 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.8 m -68.58 -26.67 65.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -97.24 20.61 11.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.925 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.745 HD22 HG21 ' A' ' 33' ' ' VAL . 19.0 mt -136.31 138.85 42.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.914 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.426 ' HD3' ' CG1' ' A' ' 14' ' ' VAL . 53.4 pttt -131.45 135.82 47.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 179.785 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.58 114.24 3.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.941 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.12 -61.03 2.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.131 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 38.9 tttt -82.87 43.73 0.87 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -43.43 156.44 0.05 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.4 t -141.59 154.27 45.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -115.29 164.45 12.13 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.508 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.84 -10.94 29.71 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.707 2.271 . . . . 0.0 112.279 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.0 t -52.3 128.72 26.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.832 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.3 m -110.56 135.35 51.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.857 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.225 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.448 179.973 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.8 p -152.51 169.33 22.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.931 0.396 . . . . 0.0 110.741 -179.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.5 m -41.55 124.15 2.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.796 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.01 77.18 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.508 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.6 m -118.37 -54.93 2.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.826 0.346 . . . . 0.0 110.869 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.8 p -119.98 40.37 3.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.36 165.3 29.9 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.55 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -112.96 -62.03 1.65 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.817 0.341 . . . . 0.0 110.882 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -120.4 125.23 47.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.842 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 23.8 mttp -85.77 113.48 21.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.932 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -107.91 163.77 12.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.985 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 85.2 t -119.59 142.56 34.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.115 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.495 HG22 HD23 ' A' ' 60' ' ' LEU . 30.6 p -90.79 145.42 24.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.418 HG23 ' HG3' ' A' ' 15' ' ' GLN . 4.4 m -116.48 -4.88 11.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.114 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.418 ' HG3' HG23 ' A' ' 14' ' ' VAL . 63.4 mt-30 -155.33 144.01 14.75 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.657 0.742 . . . . 0.0 110.955 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 134.53 28.22 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.709 2.273 . . . . 0.0 112.279 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -117.61 129.62 55.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 91.3 m -100.04 103.3 14.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.186 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.419 ' HB3' ' N ' ' A' ' 26' ' ' GLY . 51.7 p -60.79 140.48 57.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.817 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -101.74 -31.84 10.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.91 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.1 t -139.57 159.6 41.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 34.6 mtmt -48.64 -40.29 27.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.902 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -49.39 -42.76 43.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.877 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.7 mp0 -99.52 147.95 24.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.426 HD11 ' HB3' ' A' ' 51' ' ' LYS . 12.3 tt -113.15 140.0 35.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.113 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.419 ' N ' ' HB3' ' A' ' 19' ' ' SER . . . -105.41 129.24 9.72 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.503 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 2.6 p90 -126.75 169.43 13.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.833 0.349 . . . . 0.0 110.852 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -96.0 179.0 5.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.894 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.3 tttp -98.23 121.15 39.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.927 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.66 26.6 6.08 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.495 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 15.3 m -121.45 175.81 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.847 0.355 . . . . 0.0 111.167 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 95.3 m -107.61 139.41 42.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.106 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.617 HG21 HD22 ' A' ' 60' ' ' LEU . 16.9 m -131.79 152.03 36.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.166 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -107.66 116.56 32.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.929 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.714 HG22 HG22 ' A' ' 46' ' ' ILE . 92.7 t -86.9 117.41 31.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.136 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.462 ' CD1' ' HG2' ' A' ' 52' ' ' GLU . 32.6 mt -92.73 -54.45 7.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.141 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 36.1 mtp180 -117.69 159.97 22.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.502 ' HG2' ' CD2' ' A' ' 44' ' ' TRP . 43.9 mtmt -140.97 128.89 21.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.936 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -114.54 179.57 3.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.912 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.421 ' O ' ' C ' ' A' ' 41' ' ' GLU . 8.4 mt -99.44 -53.97 3.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.961 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 40' ' ' LEU . 40.0 mt-10 -34.94 -57.27 0.55 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.842 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 153.91 37.29 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.441 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.54 ' CZ3' ' HB3' ' A' ' 54' ' ' TRP . 21.9 m95 -132.2 123.31 26.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.789 0.328 . . . . 0.0 110.906 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.502 ' CD2' ' HG2' ' A' ' 38' ' ' LYS . 8.6 m0 -122.48 109.42 14.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.926 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -66.95 115.25 6.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.003 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.714 HG22 HG22 ' A' ' 35' ' ' VAL . 22.6 pt -126.93 169.67 18.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.101 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 20.6 ttt180 -128.06 125.9 40.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.819 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.523 ' CE1' ' HG ' ' A' ' 49' ' ' LEU . 17.1 t80 -136.14 132.13 35.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.923 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.523 ' HG ' ' CE1' ' A' ' 48' ' ' TYR . 19.8 mt 60.19 35.52 21.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.843 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 69.19 34.88 76.29 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.519 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.426 ' HB3' HD11 ' A' ' 25' ' ' ILE . 16.4 ttpt -141.9 124.72 16.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.687 0.28 . . . . 0.0 110.878 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.462 ' HG2' ' CD1' ' A' ' 36' ' ' ILE . 66.1 mt-10 -95.96 121.72 38.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.928 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -147.31 -178.14 22.36 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.48 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.54 ' HB3' ' CZ3' ' A' ' 43' ' ' TRP . 59.2 m95 -92.55 134.05 35.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.793 0.33 . . . . 0.0 110.904 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -143.28 144.16 27.24 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.557 0.694 . . . . 0.0 111.079 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.409 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 53.3 Cg_endo -69.79 126.6 13.48 Favored 'Trans proline' 0 N--CA 1.466 -0.146 0 C-N-CA 122.704 2.269 . . . . 0.0 112.334 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.53 -9.96 6.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.108 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 13.7 t -76.43 -22.43 54.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.409 ' CD1' ' HG2' ' A' ' 56' ' ' PRO . 22.8 m-85 -98.85 15.22 26.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.949 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.617 HD22 HG21 ' A' ' 33' ' ' VAL . 9.5 mt -133.54 146.34 50.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.931 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.2 pttp -134.12 134.59 42.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 9.6 tmtt? -60.02 121.15 11.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.927 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.36 123.65 23.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.139 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 46.4 mtpt -84.12 143.51 29.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.885 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -159.32 169.82 23.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 52.3 m -119.08 40.38 3.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -106.6 -158.22 21.62 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.5 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 110.5 2.57 Favored 'Trans proline' 0 N--CA 1.465 -0.182 0 C-N-CA 122.68 2.253 . . . . 0.0 112.351 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.6 m -102.9 -57.23 2.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.884 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 41.0 t -98.09 107.58 20.09 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.892 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.547 179.999 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.5 m -95.97 151.02 19.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.824 0.345 . . . . 0.0 110.905 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.5 p -83.26 -43.73 15.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 94.15 111.2 2.26 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.439 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.9 t -127.33 119.13 25.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.949 0.404 . . . . 0.0 110.834 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 t -105.03 40.52 1.5 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.88 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.74 127.43 9.25 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.526 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -98.07 -54.51 3.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.789 0.328 . . . . 0.0 110.88 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 69.8 mt-10 -123.33 115.52 21.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.901 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 48.1 mttt -79.25 115.83 19.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.563 ' CE1' ' HD2' ' A' ' 62' ' ' LYS . 3.5 m-85 -104.77 -178.44 3.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.863 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 24.1 t -136.18 139.08 46.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.129 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.602 HG22 HD23 ' A' ' 60' ' ' LEU . 35.2 p -89.51 121.37 31.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.095 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.6 m -92.34 -10.89 9.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.109 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -144.47 146.35 32.3 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.562 0.696 . . . . 0.0 110.899 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 153.85 68.55 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.631 2.221 . . . . 0.0 112.361 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -133.8 124.63 26.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.944 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 41.0 m -93.22 110.85 22.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.151 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 30.1 p -85.02 154.77 21.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -129.77 -33.29 1.83 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 42.5 t -130.76 149.76 52.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.054 0.454 . . . . 0.0 110.814 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 11.0 tppt? -41.18 -45.15 2.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.955 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.11 -44.05 10.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.829 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 75.5 mt-10 -99.26 150.55 21.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 15.4 tt -120.86 140.94 43.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.175 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -108.42 129.39 9.55 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.498 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.589 ' CE2' HD11 ' A' ' 46' ' ' ILE . 2.7 p90 -133.91 157.94 44.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.782 0.325 . . . . 0.0 110.938 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.41 ' O ' HG22 ' A' ' 31' ' ' VAL . 14.0 mt-10 -87.15 168.9 12.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.2 tttm -87.91 118.48 27.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 111.39 29.27 3.48 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.538 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.41 HG22 ' O ' ' A' ' 28' ' ' GLU . 16.3 m -121.93 173.54 7.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.887 0.375 . . . . 0.0 111.134 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 89.5 m -106.5 138.7 42.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.185 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.602 HG21 HD22 ' A' ' 60' ' ' LEU . 24.9 m -135.76 150.27 28.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.137 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -104.15 115.65 30.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 98.2 t -79.2 100.86 4.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 52.2 mt -72.5 -52.13 25.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.131 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 55.9 mtm-85 -134.24 153.17 52.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.942 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.528 ' HB2' ' CE2' ' A' ' 44' ' ' TRP . 9.6 ptpp? -135.09 123.42 23.16 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.88 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -100.14 179.38 4.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.934 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.3 tt -97.91 -47.02 5.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.96 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -42.95 -57.63 2.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 156.11 43.81 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.481 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.502 ' HB3' ' CZ3' ' A' ' 54' ' ' TRP . 18.1 m95 -139.74 123.2 17.18 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.771 0.319 . . . . 0.0 110.898 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.528 ' CE2' ' HB2' ' A' ' 38' ' ' LYS . 7.7 m0 -122.31 102.85 8.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.878 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -61.87 118.57 7.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.961 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.589 HD11 ' CE2' ' A' ' 27' ' ' PHE . 19.9 pt -127.78 168.88 20.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.148 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 22.8 ttp180 -128.79 119.93 25.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.534 ' CE1' ' HG ' ' A' ' 49' ' ' LEU . 14.7 t80 -132.94 132.48 42.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.534 ' HG ' ' CE1' ' A' ' 48' ' ' TYR . 11.8 mt 59.08 41.87 19.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.928 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 61.21 38.78 96.2 Favored Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.513 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 26.5 ttmt -147.02 129.0 15.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.773 0.32 . . . . 0.0 110.929 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.7 mp0 -98.74 128.41 44.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -150.91 174.95 30.09 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.463 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.502 ' CZ3' ' HB3' ' A' ' 43' ' ' TRP . 44.4 m95 -90.31 126.75 35.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.784 0.326 . . . . 0.0 110.963 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -138.37 144.65 43.67 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.541 0.686 . . . . 0.0 111.125 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 125.91 12.69 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.661 2.241 . . . . 0.0 112.386 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.4 -27.06 9.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.075 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 73.5 m -60.1 -30.99 69.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.816 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.604 ' O ' HD23 ' A' ' 60' ' ' LEU . 4.7 m-85 -93.98 25.13 3.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.93 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.604 HD23 ' O ' ' A' ' 59' ' ' TYR . 8.0 mt -147.73 141.08 25.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.934 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 31.1 pttt -142.1 130.62 22.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.914 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.563 ' HD2' ' CE1' ' A' ' 11' ' ' TYR . 12.7 tptm -51.4 113.32 0.93 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -45.8 -69.81 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.125 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 11.1 ptmt -79.03 169.25 18.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.859 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -116.23 130.68 56.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 34.1 t -168.38 139.69 2.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 51.25 65.79 2.9 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.477 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -47.36 0.93 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.673 2.249 . . . . 0.0 112.357 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 49.7 m -62.62 120.36 11.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.1 t -109.0 97.27 6.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.904 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.543 -179.963 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.262 0 N-CA-C 112.433 -0.267 . . . . 0.0 112.433 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.2 m -144.44 126.76 15.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.871 0.367 . . . . 0.0 110.865 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.2 t -132.02 41.81 3.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.839 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.02 -143.05 8.44 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.479 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.8 m -123.17 134.83 54.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.906 0.384 . . . . 0.0 110.826 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.8 p -112.41 118.5 35.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.815 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.99 86.52 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.437 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -38.65 -44.93 1.04 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.821 0.343 . . . . 0.0 110.867 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -153.7 135.25 14.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.891 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 54.7 mttp -107.55 120.31 41.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.947 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.471 ' CD2' ' N ' ' A' ' 62' ' ' LYS . 5.9 m-85 -105.65 -177.79 3.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.946 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.462 HG23 ' HB2' ' A' ' 63' ' ' ALA . 54.4 t -132.15 142.69 42.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.111 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.463 HG22 HD23 ' A' ' 60' ' ' LEU . 57.1 p -94.87 120.28 34.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.126 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.416 ' CG1' ' HD3' ' A' ' 61' ' ' LYS . 13.6 m -88.38 -15.11 9.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.138 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 20.1 mm100 -148.48 146.92 23.76 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.622 0.725 . . . . 0.0 110.893 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 152.7 69.32 Favored 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 122.662 2.241 . . . . 0.0 112.428 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -128.85 149.45 50.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.009 0.433 . . . . 0.0 110.909 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 94.6 m -117.97 104.69 11.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.129 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.413 ' HB3' ' C ' ' A' ' 25' ' ' ILE . 87.8 p -76.72 117.23 18.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.816 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 15.7 mp0 -74.66 -41.8 59.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.948 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 47.3 m -121.22 165.43 15.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.0 pttt -56.83 -28.79 62.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.861 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.06 -39.1 68.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.866 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -99.63 164.1 12.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.893 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.413 ' C ' ' HB3' ' A' ' 19' ' ' SER . 15.1 tt -124.83 140.49 47.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.126 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -107.66 119.96 5.95 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.448 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.639 ' CE2' HD11 ' A' ' 46' ' ' ILE . 3.5 p90 -123.93 168.2 13.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.794 0.331 . . . . 0.0 110.918 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -100.15 173.4 6.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 29.7 tttm -89.18 124.38 34.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.66 37.17 2.64 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.482 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.5 m -133.59 174.87 12.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.877 0.37 . . . . 0.0 111.167 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 60.9 m -109.41 133.48 53.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.114 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.535 HG21 HD22 ' A' ' 60' ' ' LEU . 35.9 m -127.72 141.84 45.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 -98.01 112.22 24.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.891 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.572 ' HA ' HG22 ' A' ' 46' ' ' ILE . 64.2 t -78.37 108.49 11.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.119 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.489 HG22 ' HG2' ' A' ' 37' ' ' ARG . 59.4 mt -75.97 -62.85 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.092 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.489 ' HG2' HG22 ' A' ' 36' ' ' ILE . 36.6 mmt180 -117.77 172.44 7.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.49 ' HE3' ' CZ3' ' A' ' 44' ' ' TRP . 54.4 mttp -142.52 138.15 30.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.939 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -122.4 166.3 14.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.912 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.7 tt -95.74 -45.84 6.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.904 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -43.22 -47.09 6.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.839 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 144.87 44.79 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.441 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.407 ' CZ3' ' HB3' ' A' ' 54' ' ' TRP . 16.8 m95 -142.3 126.96 18.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.843 0.354 . . . . 0.0 110.893 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.49 ' CZ3' ' HE3' ' A' ' 38' ' ' LYS . 7.6 m0 -125.53 110.01 13.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.941 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.409 ' CE2' ' HB3' ' A' ' 52' ' ' GLU . 2.5 t80 -69.5 121.95 18.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.864 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.639 HD11 ' CE2' ' A' ' 27' ' ' PHE . 23.3 pt -132.0 161.59 41.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.146 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 45.4 ttt180 -118.3 122.53 43.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.878 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.491 ' CZ ' ' HG ' ' A' ' 49' ' ' LEU . 27.6 t80 -136.19 132.13 35.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.926 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.491 ' HG ' ' CZ ' ' A' ' 48' ' ' TYR . 76.3 mt 59.96 39.15 20.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.928 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 62.42 33.17 85.5 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.463 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 20.2 ttmt -139.38 131.65 28.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.747 0.308 . . . . 0.0 110.9 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.409 ' HB3' ' CE2' ' A' ' 45' ' ' TYR . 20.4 mt-10 -96.73 131.12 43.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.898 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -157.78 169.35 34.56 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.484 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.407 ' HB3' ' CZ3' ' A' ' 43' ' ' TRP . 42.4 m95 -86.14 122.27 29.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.796 0.331 . . . . 0.0 110.959 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -124.91 144.14 46.03 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.575 0.702 . . . . 0.0 111.07 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 125.87 12.61 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.689 2.259 . . . . 0.0 112.315 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.47 -18.61 11.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.083 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 72.5 m -69.9 -35.56 74.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.791 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -90.09 21.54 3.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.906 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.535 HD22 HG21 ' A' ' 33' ' ' VAL . 11.1 mt -139.39 136.01 34.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.96 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.464 ' C ' ' CD2' ' A' ' 11' ' ' TYR . 61.2 pttt -133.81 133.89 42.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.908 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.471 ' N ' ' CD2' ' A' ' 11' ' ' TYR . 21.1 tttt -51.12 124.88 12.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.462 ' HB2' HG23 ' A' ' 12' ' ' VAL . . . -77.74 130.17 36.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.077 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.0 ptmt -105.6 88.98 2.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -126.78 111.96 14.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.3 m 59.88 27.55 16.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.882 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -78.91 -86.35 0.52 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.462 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 1.63 4.31 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.7 2.267 . . . . 0.0 112.296 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.4 m -67.75 72.58 0.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 69.7 m -83.96 125.5 32.1 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.853 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.506 -179.949 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.509 -0.237 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -155.63 152.89 29.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.923 0.392 . . . . 0.0 110.851 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.6 m -84.32 148.22 26.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.879 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.97 -116.97 0.77 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.486 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.1 p -87.2 46.26 1.36 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.926 0.393 . . . . 0.0 110.902 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.4 p -115.0 -44.02 3.06 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.872 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.79 135.07 7.31 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.54 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -100.87 -61.8 1.32 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.798 0.332 . . . . 0.0 110.942 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.1 mp0 -102.97 110.8 22.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.895 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 34.8 mttt -82.38 112.41 19.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.82 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.579 ' CE1' ' HD2' ' A' ' 62' ' ' LYS . 4.1 m-85 -107.36 174.41 5.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.971 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.2 p -133.4 152.53 35.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.09 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.54 HG21 ' CD1' ' A' ' 27' ' ' PHE . 42.9 p -98.35 115.17 27.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.095 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.623 HG23 ' HG3' ' A' ' 15' ' ' GLN . 20.4 m -87.04 -7.51 10.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.151 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.623 ' HG3' HG23 ' A' ' 14' ' ' VAL . 37.3 mt-30 -151.83 145.85 18.13 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.591 0.71 . . . . 0.0 110.897 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 150.8 68.16 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.625 2.217 . . . . 0.0 112.353 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -133.31 149.13 51.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 73.8 m -114.43 116.59 29.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.12 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.464 ' HB3' ' N ' ' A' ' 26' ' ' GLY . 79.0 p -79.0 125.29 29.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.858 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 16.6 mp0 -83.46 -41.39 18.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.912 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.7 m -135.49 167.74 20.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.841 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.429 ' HG3' ' N ' ' A' ' 23' ' ' ASP . 9.9 ptpp? -48.65 -41.58 31.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.928 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.429 ' N ' ' HG3' ' A' ' 22' ' ' LYS . 0.7 OUTLIER -45.09 -43.06 9.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.914 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -100.06 157.68 16.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 14.8 tt -123.24 134.96 64.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.096 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.464 ' N ' ' HB3' ' A' ' 19' ' ' SER . . . -98.33 130.51 10.25 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.538 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.54 ' CD1' HG21 ' A' ' 13' ' ' THR . 3.4 p90 -130.36 178.55 6.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.791 0.329 . . . . 0.0 110.899 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.458 ' O ' HG22 ' A' ' 31' ' ' VAL . 8.3 pt-20 -110.16 170.34 8.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.865 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 57.7 tttt -86.98 123.76 32.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.95 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.0 35.7 3.12 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.467 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.458 HG22 ' O ' ' A' ' 28' ' ' GLU . 4.9 m -132.16 160.69 42.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.833 0.349 . . . . 0.0 111.13 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 91.2 m -91.74 143.5 26.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.166 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 31.1 m -135.64 152.78 31.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.208 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 21.2 mp0 -109.58 108.4 18.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.861 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 63.2 t -75.31 103.09 2.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.112 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.616 HG22 ' HG2' ' A' ' 37' ' ' ARG . 56.5 mt -74.1 -63.7 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.165 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.616 ' HG2' HG22 ' A' ' 36' ' ' ILE . 41.3 mmm-85 -120.03 163.02 18.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.518 ' HG2' ' CD2' ' A' ' 44' ' ' TRP . 21.8 mtmt -132.41 132.88 43.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.855 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -117.02 159.91 21.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.913 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -86.18 -49.01 8.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.954 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -41.17 -52.51 3.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 148.29 36.12 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.492 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 9.9 m95 -131.94 117.12 18.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.735 0.302 . . . . 0.0 110.903 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.518 ' CD2' ' HG2' ' A' ' 38' ' ' LYS . 9.1 m0 -116.39 108.0 15.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.959 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.562 ' CE2' ' HB3' ' A' ' 52' ' ' GLU . 3.0 t80 -67.35 114.35 5.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.973 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 7.2 pt -120.81 163.75 18.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.09 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.509 ' HB2' HD11 ' A' ' 36' ' ' ILE . 45.3 ttt85 -123.55 119.99 31.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.859 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.493 ' CE1' ' HG ' ' A' ' 49' ' ' LEU . 24.5 t80 -131.81 129.19 40.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 -179.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.493 ' HG ' ' CE1' ' A' ' 48' ' ' TYR . 77.9 mt 61.38 37.85 16.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.961 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 67.81 22.58 73.82 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.507 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 42.8 mmtt -127.1 134.62 50.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.806 0.336 . . . . 0.0 110.875 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.562 ' HB3' ' CE2' ' A' ' 45' ' ' TYR . 31.8 mt-10 -103.98 128.53 51.53 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.87 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -152.14 174.66 31.08 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.488 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 16.3 m95 -92.67 119.77 32.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.761 0.315 . . . . 0.0 110.946 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -125.79 144.66 49.09 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.608 0.718 . . . . 0.0 111.075 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 117.94 5.38 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.625 2.216 . . . . 0.0 112.339 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.505 ' HA ' HD12 ' A' ' 60' ' ' LEU . . . -49.09 -20.91 0.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.105 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 67.8 m -61.33 -41.01 96.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.569 ' CD2' ' HB2' ' A' ' 15' ' ' GLN . 2.6 m-85 -90.97 26.66 2.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.946 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.505 HD12 ' HA ' ' A' ' 57' ' ' ALA . 15.4 mt -139.95 144.66 37.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.855 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.5 ptmt -152.88 135.73 15.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.579 ' HD2' ' CE1' ' A' ' 11' ' ' TYR . 12.9 tptm -52.85 119.82 5.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -92.73 178.13 5.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.127 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.3 pttm -130.62 114.75 15.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.976 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -75.37 158.25 33.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.2 t -75.23 -55.2 5.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 66.99 -158.31 50.54 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.445 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 114.0 3.56 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.62 2.214 . . . . 0.0 112.325 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 42.8 t -73.89 -47.64 36.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 13.8 m -97.63 127.28 43.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.949 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.254 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.515 179.995 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.6 p -88.23 97.63 11.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.91 0.386 . . . . 0.0 110.852 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.6 t -100.75 82.91 2.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.874 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.31 -136.43 17.33 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.498 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.1 p -93.02 147.32 22.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.938 0.399 . . . . 0.0 110.85 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -152.63 130.04 11.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.73 145.41 1.1 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.488 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -109.1 -52.05 2.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.891 0.377 . . . . 0.0 110.856 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -123.67 124.76 43.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.852 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 49.5 mttt -88.98 121.16 31.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.54 ' CD1' HG21 ' A' ' 35' ' ' VAL . 10.9 m-85 -106.85 166.8 10.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 79.9 t -124.71 138.73 53.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.101 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.545 HG22 HD23 ' A' ' 60' ' ' LEU . 19.3 p -87.55 142.63 27.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.5 m -114.64 -6.08 11.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.06 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 93.4 mm-40 -155.49 143.98 14.62 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.56 0.695 . . . . 0.0 110.991 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 128.89 16.71 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.718 2.279 . . . . 0.0 112.323 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.424 ' CE1' ' HG3' ' A' ' 56' ' ' PRO . 62.5 t80 -109.55 133.02 53.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.967 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 90.0 m -105.39 98.85 8.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.172 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.424 ' HB3' ' C ' ' A' ' 25' ' ' ILE . 21.4 p -81.43 124.61 29.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.875 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -112.38 27.24 9.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.876 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.1 p -150.45 133.52 16.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.897 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.1 ptpt -50.5 -39.2 47.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.935 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.45 -28.94 69.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -101.98 164.6 11.63 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.424 ' C ' ' HB3' ' A' ' 19' ' ' SER . 13.1 tt -130.45 144.36 38.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.082 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -111.51 136.25 13.43 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.482 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.2 p90 -130.93 177.7 7.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.783 0.325 . . . . 0.0 110.92 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.618 ' O ' HG22 ' A' ' 31' ' ' VAL . 30.7 mt-10 -108.96 165.37 11.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 42.1 tttt -83.32 129.34 34.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 99.33 25.8 9.18 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.502 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.618 HG22 ' O ' ' A' ' 28' ' ' GLU . 26.1 m -120.71 -177.77 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.979 0.418 . . . . 0.0 111.118 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.4 m -115.0 142.15 47.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.162 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.769 HG21 HD22 ' A' ' 60' ' ' LEU . 36.0 m -133.81 160.72 41.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.143 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -119.43 115.67 24.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.91 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.54 HG21 ' CD1' ' A' ' 11' ' ' TYR . 42.1 t -81.64 107.87 14.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.094 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.448 HG22 ' HG2' ' A' ' 37' ' ' ARG . 77.2 mt -76.62 -67.85 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.106 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.448 ' HG2' HG22 ' A' ' 36' ' ' ILE . 17.7 mmt180 -119.57 164.58 15.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.827 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -134.25 151.88 51.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.844 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.472 ' O ' ' N ' ' A' ' 41' ' ' GLU . 0.3 OUTLIER -168.63 170.13 9.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.462 ' O ' ' N ' ' A' ' 42' ' ' GLY . 4.0 mm? 37.0 30.05 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 39' ' ' ASN . 19.6 mm-40 35.06 33.57 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 40' ' ' LEU . . . -154.3 -46.94 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.501 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 56.3 m95 -92.05 105.37 17.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.714 0.292 . . . . 0.0 110.874 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.633 ' O ' HG23 ' A' ' 46' ' ' ILE . 8.2 m0 -117.8 107.86 14.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.407 ' CE2' ' HB3' ' A' ' 52' ' ' GLU . 12.3 t80 -55.47 105.9 0.21 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.633 HG23 ' O ' ' A' ' 44' ' ' TRP . 7.1 pt -107.08 175.61 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.173 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 12.2 ttm180 -133.22 131.68 40.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.899 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.462 ' CZ ' ' HG ' ' A' ' 49' ' ' LEU . 26.3 t80 -150.28 147.62 27.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.962 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.462 ' HG ' ' CZ ' ' A' ' 48' ' ' TYR . 11.3 mt 53.62 40.26 31.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.928 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 60.05 32.95 77.31 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.414 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.412 ' O ' ' CD1' ' A' ' 25' ' ' ILE . 39.7 mtmt -149.39 129.32 13.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.784 0.326 . . . . 0.0 110.873 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.407 ' HB3' ' CE2' ' A' ' 45' ' ' TYR . 5.5 mt-10 -96.16 140.77 30.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -163.64 178.27 39.21 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.48 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 78.0 m95 -86.78 135.03 33.51 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.758 0.313 . . . . 0.0 110.931 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -147.76 144.01 18.6 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.58 0.705 . . . . 0.0 111.123 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.424 ' HG3' ' CE1' ' A' ' 17' ' ' TYR . 54.4 Cg_endo -69.66 117.86 5.33 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.668 2.245 . . . . 0.0 112.438 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.528 ' HB1' ' CH2' ' A' ' 44' ' ' TRP . . . -53.81 -16.88 1.96 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.118 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.9 t -63.27 -30.24 71.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -92.21 12.23 23.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.902 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.769 HD22 HG21 ' A' ' 33' ' ' VAL . 10.0 mt -133.04 146.36 51.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.927 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.16 131.36 34.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 29.2 tttt -57.59 118.0 4.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.77 176.72 0.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.092 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -122.64 82.41 1.98 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -53.42 106.02 0.16 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.8 m -96.8 125.05 40.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.839 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -166.76 -95.03 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.494 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -13.4 34.7 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.67 2.247 . . . . 0.0 112.347 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.9 m 52.89 35.53 19.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.759 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 87.9 p -90.23 94.55 9.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.429 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.578 -179.94 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.449 -0.261 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.5 t -68.98 -57.69 5.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.915 0.388 . . . . 0.0 110.87 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.6 m -45.82 154.98 0.19 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.861 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.34 -109.59 2.36 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.433 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.4 p -104.9 80.7 1.66 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.881 0.372 . . . . 0.0 110.837 -179.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 m -131.05 81.02 1.97 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.92 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.62 -168.46 15.98 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.448 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 -113.43 -46.5 3.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.778 0.323 . . . . 0.0 110.905 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -143.42 111.13 5.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.909 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 27.5 mttp -81.93 111.76 18.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.408 ' CE1' ' HG2' ' A' ' 62' ' ' LYS . 6.3 m-85 -102.62 -179.77 4.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 81.3 t -132.07 144.32 37.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.152 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.412 HG22 HD23 ' A' ' 60' ' ' LEU . 57.2 p -94.46 130.67 40.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.144 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.8 m -100.16 -11.45 8.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.071 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.561 ' HB2' ' CD2' ' A' ' 59' ' ' TYR . 14.9 mm-40 -147.26 144.24 19.33 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.528 0.68 . . . . 0.0 110.939 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 146.42 60.2 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.724 2.283 . . . . 0.0 112.3 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -134.44 137.78 44.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.993 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 86.4 m -113.5 124.21 51.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.102 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 34.5 p -70.88 140.95 51.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 42.3 mm-40 -104.24 -47.95 4.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.903 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.8 t -110.71 -176.51 2.99 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.36 33.97 0.63 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.905 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -128.59 -30.28 2.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.5 mp0 -98.17 157.4 16.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 15.7 tt -120.69 138.03 52.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.115 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -99.26 123.53 7.93 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.511 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.405 ' CD1' HG21 ' A' ' 13' ' ' THR . 5.0 p90 -123.42 151.35 42.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.804 0.335 . . . . 0.0 110.882 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.487 ' O ' HG22 ' A' ' 31' ' ' VAL . 45.9 mt-10 -88.32 168.8 12.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.891 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 28.0 tttm -86.75 127.61 34.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 99.17 33.35 5.48 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.487 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.487 HG22 ' O ' ' A' ' 28' ' ' GLU . 15.6 m -127.58 173.72 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.904 0.383 . . . . 0.0 111.134 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 97.5 m -110.03 138.54 46.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.176 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 29.5 m -129.91 168.41 23.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.149 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -122.4 106.54 11.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.691 ' HA ' HG22 ' A' ' 46' ' ' ILE . 58.6 t -71.07 94.58 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.059 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.684 HG22 ' HG3' ' A' ' 37' ' ' ARG . 44.9 mt -65.78 -57.04 12.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.082 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.684 ' HG3' HG22 ' A' ' 36' ' ' ILE . 82.7 mtp180 -140.69 111.39 6.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.834 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.527 ' HB2' ' CE2' ' A' ' 44' ' ' TRP . 12.0 pttt -101.53 122.66 44.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.875 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 64.2 m-80 -96.47 173.7 7.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.674 HD23 ' H ' ' A' ' 40' ' ' LEU . 0.5 OUTLIER -96.89 -32.73 11.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.968 179.906 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 19.7 mp0 -46.81 -60.6 2.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.837 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 161.01 35.8 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.491 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.487 ' HB3' ' CZ3' ' A' ' 54' ' ' TRP . 24.4 m95 -145.24 125.37 13.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.763 0.316 . . . . 0.0 110.945 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.527 ' CE2' ' HB2' ' A' ' 38' ' ' LYS . 11.3 m0 -119.12 111.29 18.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.964 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.499 ' CE2' ' HB3' ' A' ' 52' ' ' GLU . 4.1 t80 -74.75 123.98 25.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 -179.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.691 HG22 ' HA ' ' A' ' 35' ' ' VAL . 18.7 pt -134.55 168.68 23.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.158 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.513 ' HB2' HD11 ' A' ' 36' ' ' ILE . 32.5 ttt180 -126.29 117.45 23.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.941 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.592 ' CE2' HD12 ' A' ' 49' ' ' LEU . 14.9 t80 -130.49 132.47 45.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 -179.797 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.592 HD12 ' CE2' ' A' ' 48' ' ' TYR . 16.0 mt 62.33 36.34 14.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.894 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 65.13 34.18 88.99 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.478 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.45 134.01 28.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.665 0.269 . . . . 0.0 110.891 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.499 ' HB3' ' CE2' ' A' ' 45' ' ' TYR . 9.8 mt-10 -100.65 133.08 45.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.899 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -156.26 173.11 34.15 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.439 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.487 ' CZ3' ' HB3' ' A' ' 43' ' ' TRP . 37.4 m95 -87.44 116.71 25.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.719 0.295 . . . . 0.0 110.924 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -117.95 144.73 35.22 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.561 0.696 . . . . 0.0 111.134 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 146.24 59.97 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.714 2.276 . . . . 0.0 112.335 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.526 ' HB2' ' CD1' ' A' ' 44' ' ' TRP . . . -84.32 23.5 1.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.097 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 12.8 t -114.4 -22.51 9.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.561 ' CD2' ' HB2' ' A' ' 15' ' ' GLN . 7.4 m-85 -104.88 27.47 8.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.879 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.412 HD23 HG22 ' A' ' 13' ' ' THR . 16.1 mt -136.9 144.18 43.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.875 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.63 131.72 26.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.408 ' HG2' ' CE1' ' A' ' 11' ' ' TYR . 5.4 tmtt? -57.73 117.58 4.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -45.52 -63.4 0.96 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.078 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt 53.36 42.14 32.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.986 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -66.24 -54.55 23.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.2 m -54.15 168.66 0.21 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.867 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -102.55 146.32 16.74 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.494 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.68 158.2 57.89 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.679 2.252 . . . . 0.0 112.41 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 31.0 m -117.34 175.87 5.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.828 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 71.6 m -90.51 105.51 17.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.803 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.482 179.991 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.398 -0.281 . . . . 0.0 112.398 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -132.2 101.39 5.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.891 0.377 . . . . 0.0 110.854 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.3 t -137.99 124.72 21.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.834 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.11 -117.02 0.72 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.525 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.8 p -134.14 134.61 42.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.843 0.354 . . . . 0.0 110.877 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -57.85 106.35 0.35 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.87 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.26 139.85 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.441 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -101.15 -39.18 7.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.821 0.343 . . . . 0.0 110.941 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -110.96 110.7 21.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.825 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.1 mtmm -100.82 124.77 46.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.405 ' CD2' ' N ' ' A' ' 62' ' ' LYS . 6.8 m-85 -111.3 178.18 4.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.907 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 60.1 t -130.35 145.12 36.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.113 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.9 p -92.26 129.19 38.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.094 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.422 ' CG1' ' HD3' ' A' ' 61' ' ' LYS . 8.4 m -101.27 -9.47 9.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.161 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -150.75 144.01 16.88 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.625 0.726 . . . . 0.0 110.877 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.88 138.96 38.67 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.635 2.223 . . . . 0.0 112.281 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -123.75 133.55 53.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.934 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 92.7 m -102.74 119.85 39.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.185 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 68.9 p -81.66 121.98 27.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 20.4 mp0 -84.34 -29.88 25.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.903 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.0 m -133.83 156.92 47.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.829 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.2 ptmt -49.86 -43.06 48.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -44.93 -36.82 3.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -99.09 158.96 15.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.439 HG23 ' O ' ' A' ' 25' ' ' ILE . 14.9 tt -122.02 129.24 75.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.081 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -92.81 125.26 8.08 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.481 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -126.01 167.61 15.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.789 0.328 . . . . 0.0 110.923 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -104.1 172.54 6.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 36.9 tttt -88.93 119.21 29.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 110.45 34.61 2.25 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.472 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.1 m -131.43 170.7 19.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.915 0.388 . . . . 0.0 111.171 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.9 m -105.91 140.29 39.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.149 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.63 HG21 HD22 ' A' ' 60' ' ' LEU . 17.8 m -132.25 149.32 32.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.14 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.441 ' OE1' ' NH2' ' A' ' 47' ' ' ARG . 17.1 mt-10 -107.8 113.53 26.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 33.8 t -78.07 116.23 21.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.13 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 13.7 mt -89.02 -53.8 8.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.133 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 13.4 mmm180 -135.03 105.41 6.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -93.57 132.27 38.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -101.03 -175.54 2.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.969 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.453 ' O ' ' C ' ' A' ' 41' ' ' GLU . 22.0 mt -70.56 86.65 0.64 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 40' ' ' LEU . 50.9 mt-10 34.37 52.2 0.5 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -139.81 -64.52 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.463 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.51 ' HB3' ' CZ3' ' A' ' 54' ' ' TRP . 34.4 m95 -136.3 109.63 7.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.811 0.339 . . . . 0.0 110.894 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.712 ' CD1' ' HB2' ' A' ' 57' ' ' ALA . 23.1 m0 -106.52 104.48 14.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.949 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.505 ' CE2' ' HB3' ' A' ' 52' ' ' GLU . 4.7 t80 -63.43 114.49 3.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.945 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.407 HG12 ' HB3' ' A' ' 55' ' ' ALA . 22.1 pt -124.05 161.93 26.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.133 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.441 ' NH2' ' OE1' ' A' ' 34' ' ' GLU . 3.0 ttp-105 -121.77 127.36 50.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.49 ' CE1' ' HG ' ' A' ' 49' ' ' LEU . 15.9 t80 -137.93 133.18 33.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.922 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.49 ' HG ' ' CE1' ' A' ' 48' ' ' TYR . 14.4 mt 62.4 34.75 15.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.85 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 68.15 31.79 75.41 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.436 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.7 ttpp -138.77 131.01 28.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.723 0.297 . . . . 0.0 110.882 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.505 ' HB3' ' CE2' ' A' ' 45' ' ' TYR . 11.0 mt-10 -98.86 126.67 44.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.879 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -148.87 177.13 27.31 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.471 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.51 ' CZ3' ' HB3' ' A' ' 43' ' ' TRP . 28.7 m95 -89.09 125.84 35.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.803 0.335 . . . . 0.0 110.944 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.407 ' HB3' HG12 ' A' ' 46' ' ' ILE . . . -133.02 145.05 55.36 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.576 0.703 . . . . 0.0 111.156 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 147.26 62.7 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.674 2.249 . . . . 0.0 112.35 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.712 ' HB2' ' CD1' ' A' ' 44' ' ' TRP . . . -84.62 23.34 1.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.089 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 65.5 m -112.39 -28.95 7.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.836 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -96.19 26.22 4.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.967 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.63 HD22 HG21 ' A' ' 33' ' ' VAL . 20.9 mt -140.26 140.72 35.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.937 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.422 ' HD3' ' CG1' ' A' ' 14' ' ' VAL . 16.4 pttp -132.07 132.82 43.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.405 ' N ' ' CD2' ' A' ' 11' ' ' TYR . 31.1 tttm -53.0 123.34 11.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 179.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.03 -35.88 69.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.09 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.99 87.82 2.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -51.95 101.79 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.861 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 7.4 t -39.99 -46.42 2.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -60.78 -171.34 0.71 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.469 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 134.14 27.21 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.676 2.251 . . . . 0.0 112.297 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 51.1 m -49.9 175.49 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 77.8 p -130.8 120.62 24.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.878 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.386 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.518 -179.923 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.9 p -72.42 -48.09 44.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.9 0.381 . . . . 0.0 110.861 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.5 m -65.97 -59.79 3.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.854 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 56.07 63.89 4.89 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.489 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.8 p -162.46 159.63 25.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.868 0.366 . . . . 0.0 110.893 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 t 54.79 44.08 29.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.833 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.47 73.48 0.55 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.485 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -40.17 -47.05 2.33 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.824 0.345 . . . . 0.0 110.911 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 49.1 mm-40 -146.77 120.21 9.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.901 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.921 ' HE2' HG21 ' A' ' 32' ' ' THR . 34.5 mtpt -78.13 112.05 14.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.933 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.479 ' CD1' HG21 ' A' ' 35' ' ' VAL . 6.5 m-85 -100.65 177.63 4.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.939 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.757 HG23 ' HB2' ' A' ' 63' ' ' ALA . 96.4 t -130.24 142.77 42.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.07 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.454 HG21 ' CD1' ' A' ' 27' ' ' PHE . 57.0 p -93.98 120.96 34.96 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.142 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.8 m -87.62 -12.72 10.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.099 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -148.15 145.06 19.7 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.599 0.714 . . . . 0.0 110.939 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.79 151.53 68.9 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.638 2.225 . . . . 0.0 112.327 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -128.15 148.86 50.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 10.5 m -117.64 105.31 11.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.102 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.428 ' OG ' ' N ' ' A' ' 25' ' ' ILE . 2.3 m -96.16 138.66 33.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.845 -179.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -125.31 25.01 7.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.8 m -162.76 141.12 8.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.0 pttt -44.58 -49.5 10.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -47.2 -38.6 12.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.853 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -100.64 158.39 15.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.428 ' N ' ' OG ' ' A' ' 19' ' ' SER . 14.6 tt -132.28 135.06 58.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.07 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.412 ' N ' ' HB2' ' A' ' 19' ' ' SER . . . -104.39 129.42 9.84 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.494 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.729 ' CE2' HD11 ' A' ' 46' ' ' ILE . 1.9 p90 -130.85 170.89 13.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.829 0.347 . . . . 0.0 110.855 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -99.66 178.89 4.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.967 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 28.6 tttm -94.21 125.0 38.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 103.13 38.88 2.77 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.449 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 6.3 m -133.48 171.21 18.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.895 0.379 . . . . 0.0 111.139 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.921 HG21 ' HE2' ' A' ' 10' ' ' LYS . 95.8 m -106.36 134.1 50.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.17 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.572 HG21 HD22 ' A' ' 60' ' ' LEU . 35.2 m -121.76 147.72 25.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.123 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 80.4 mt-10 -99.47 109.19 21.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.925 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.479 HG21 ' CD1' ' A' ' 11' ' ' TYR . 47.5 t -75.0 106.31 4.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 47.0 mt -80.93 -64.09 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.119 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 7.4 mtp85 -118.36 170.11 9.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.542 ' HD3' ' CH2' ' A' ' 44' ' ' TRP . 36.4 mtmt -142.73 138.54 30.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.922 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -120.7 179.75 4.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.852 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 41' ' ' GLU . 5.2 mp -98.06 -58.53 1.96 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.928 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 40' ' ' LEU . 3.2 tt0 -34.37 -56.75 0.51 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 152.49 47.83 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.498 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.55 ' CZ3' ' HB3' ' A' ' 54' ' ' TRP . 36.8 m95 -136.41 125.51 24.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.795 0.331 . . . . 0.0 110.846 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.542 ' CH2' ' HD3' ' A' ' 38' ' ' LYS . 8.3 m0 -123.78 106.36 10.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.448 ' CE2' ' HB3' ' A' ' 52' ' ' GLU . 2.6 t80 -65.44 117.32 7.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.938 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.729 HD11 ' CE2' ' A' ' 27' ' ' PHE . 14.2 pt -126.14 163.64 27.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.182 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 38.4 ttt180 -121.99 119.85 32.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.837 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.484 ' CE2' HD12 ' A' ' 49' ' ' LEU . 44.1 t80 -134.42 131.48 38.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.014 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.484 HD12 ' CE2' ' A' ' 48' ' ' TYR . 13.2 mt 62.51 36.39 14.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.939 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 66.83 30.35 76.02 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.492 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.6 mtpm? -138.5 129.95 27.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.765 0.317 . . . . 0.0 110.91 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.448 ' HB3' ' CE2' ' A' ' 45' ' ' TYR . 2.0 mp0 -100.01 119.73 38.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -140.8 -177.7 16.44 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.458 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.55 ' HB3' ' CZ3' ' A' ' 43' ' ' TRP . 33.7 m95 -96.61 131.41 43.29 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.845 0.355 . . . . 0.0 110.929 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -140.63 144.28 35.69 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.606 0.717 . . . . 0.0 111.073 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 129.28 17.27 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.694 2.263 . . . . 0.0 112.386 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.14 -19.38 7.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.087 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 62.9 m -67.11 -35.97 80.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.828 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.466 ' O ' HD23 ' A' ' 60' ' ' LEU . 8.9 m-85 -88.62 22.61 2.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.572 HD22 HG21 ' A' ' 33' ' ' VAL . 9.9 mt -141.94 137.15 31.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.8 ptmt -131.73 130.75 42.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.6 tttm -54.37 113.25 1.2 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.874 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.757 ' HB2' HG23 ' A' ' 12' ' ' VAL . . . -70.92 151.09 45.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.08 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.6 -177.21 3.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.861 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -126.89 152.09 47.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.935 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 38.7 t -46.64 108.08 0.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 174.7 146.15 5.59 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.512 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 175.01 8.67 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.646 2.231 . . . . 0.0 112.371 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 32.3 m -101.04 -53.63 2.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 62.6 m -121.51 131.65 54.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.806 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.46 -179.984 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.1 p -103.77 128.69 51.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.839 0.352 . . . . 0.0 110.828 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.6 p -75.0 153.62 38.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.817 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.7 60.58 0.55 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.422 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.9 m -89.7 86.22 6.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.952 0.406 . . . . 0.0 110.882 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.2 t -170.41 135.6 1.25 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.875 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.77 94.99 0.79 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.487 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -47.01 -47.71 22.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.838 0.352 . . . . 0.0 110.917 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -145.58 123.2 11.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.876 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 78.3 mttt -85.83 116.12 23.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.959 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.512 ' CE2' ' N ' ' A' ' 62' ' ' LYS . 5.9 m-85 -104.69 -177.99 3.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.619 HG23 ' HB2' ' A' ' 63' ' ' ALA . 39.4 t -132.89 146.94 31.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.142 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 70.7 p -91.96 145.01 24.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.085 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.2 m -116.56 -9.1 12.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.154 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 36.3 mm-40 -154.56 144.05 15.24 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.622 0.725 . . . . 0.0 110.883 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 141.59 45.52 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.711 2.274 . . . . 0.0 112.293 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 41.7 t80 -128.52 140.13 51.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.4 m -110.87 118.75 36.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.211 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.446 ' OG ' ' N ' ' A' ' 25' ' ' ILE . 2.0 m -99.97 125.18 45.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -110.0 27.88 9.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 35.5 t -159.23 135.62 9.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.8 tttp -45.43 -39.27 6.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.843 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -58.84 -36.38 74.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.797 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -101.59 151.79 21.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.446 ' N ' ' OG ' ' A' ' 19' ' ' SER . 12.3 tt -120.86 141.17 42.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.126 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.426 ' N ' ' HB2' ' A' ' 19' ' ' SER . . . -103.62 126.73 8.9 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.506 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 21.7 p90 -128.38 172.4 11.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.819 0.342 . . . . 0.0 110.897 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -102.66 -176.02 2.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 35.1 tttt -102.15 115.93 31.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 112.79 27.44 3.78 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.513 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 6.0 m -120.28 173.58 6.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.901 0.381 . . . . 0.0 111.108 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 98.5 m -106.93 139.28 41.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.111 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.447 HG21 HD22 ' A' ' 60' ' ' LEU . 30.1 m -134.72 146.9 30.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.177 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -102.04 111.55 23.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.923 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.696 HG11 ' HD3' ' A' ' 38' ' ' LYS . 61.9 t -70.54 122.68 22.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.161 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.625 HD11 ' HB2' ' A' ' 47' ' ' ARG . 18.0 mt -101.64 -70.18 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.169 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 40.8 mmt180 -97.43 162.01 13.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.696 ' HD3' HG11 ' A' ' 35' ' ' VAL . 1.8 mmmm -143.27 122.74 13.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 67.9 m-20 -121.78 156.21 33.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.964 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 41.9 tp -79.25 -41.07 29.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -46.69 -51.4 16.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 143.32 40.65 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.462 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.579 ' HB3' ' CZ3' ' A' ' 54' ' ' TRP . 12.8 m95 -131.07 114.28 14.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.761 0.315 . . . . 0.0 110.871 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.569 ' CZ2' ' HE3' ' A' ' 38' ' ' LYS . 29.2 m0 -114.53 100.74 8.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.962 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.48 ' CE2' ' HB3' ' A' ' 52' ' ' GLU . 12.3 t80 -63.98 102.87 0.53 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.88 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.488 HG22 ' HA ' ' A' ' 35' ' ' VAL . 16.2 pt -109.09 168.92 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.099 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.625 ' HB2' HD11 ' A' ' 36' ' ' ILE . 24.6 ttp180 -128.01 117.26 21.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.802 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.566 ' CE2' HD12 ' A' ' 49' ' ' LEU . 20.0 t80 -125.6 126.24 44.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.566 HD12 ' CE2' ' A' ' 48' ' ' TYR . 28.3 mt 61.58 32.82 18.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.946 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.439 ' C ' ' HE3' ' A' ' 51' ' ' LYS . . . 79.16 -4.63 61.83 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.457 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.439 ' HE3' ' C ' ' A' ' 50' ' ' GLY . 0.0 OUTLIER -98.41 122.23 41.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.824 0.345 . . . . 0.0 110.891 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.48 ' HB3' ' CE2' ' A' ' 45' ' ' TYR . 34.1 mt-10 -98.94 129.3 45.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -153.93 -176.48 26.35 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.412 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.579 ' CZ3' ' HB3' ' A' ' 43' ' ' TRP . 51.5 m95 -96.88 131.88 43.2 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.789 0.328 . . . . 0.0 110.891 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -141.89 145.25 35.7 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.553 0.692 . . . . 0.0 111.062 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 122.41 9.1 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.72 2.28 . . . . 0.0 112.306 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -52.51 -19.9 2.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.126 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.8 t -64.58 -30.98 72.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.525 ' O ' HD23 ' A' ' 60' ' ' LEU . 19.7 m-85 -92.22 24.5 3.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.918 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.525 HD23 ' O ' ' A' ' 59' ' ' TYR . 9.1 mt -144.71 145.01 31.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.965 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.473 ' C ' ' CD2' ' A' ' 11' ' ' TYR . 42.9 pttt -138.65 133.67 32.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.831 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.512 ' N ' ' CE2' ' A' ' 11' ' ' TYR . 9.0 tttp -52.44 120.41 5.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.871 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.619 ' HB2' HG23 ' A' ' 12' ' ' VAL . . . -79.58 82.34 5.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.039 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -81.29 152.16 27.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.932 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -159.0 174.52 14.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.917 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 36.3 m 51.89 42.64 30.28 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -126.74 83.58 0.34 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.41 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.86 0.27 5.96 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.69 2.26 . . . . 0.0 112.28 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 60.3 p -139.33 126.73 21.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.0 t -116.44 109.95 17.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.865 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.495 179.998 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.0 t -147.35 145.78 29.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.97 0.414 . . . . 0.0 110.782 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.3 m -61.38 130.19 44.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.895 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.77 136.02 8.61 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.462 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.9 p -85.38 73.22 10.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.88 0.372 . . . . 0.0 110.924 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.5 m -146.55 167.37 23.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 8' ' ' GLU . . . 76.99 82.48 0.55 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.477 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 7' ' ' GLY . 6.8 pt-20 -34.77 -36.29 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.825 0.345 . . . . 0.0 110.909 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 7' ' ' GLY . 53.8 mt-10 -152.51 139.3 18.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.828 ' HE2' HG22 ' A' ' 32' ' ' THR . 15.8 mtpt -115.81 128.0 55.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -110.52 177.58 4.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 85.8 t -126.22 128.95 72.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.112 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.632 HG22 HD23 ' A' ' 60' ' ' LEU . 73.3 p -81.96 112.59 19.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.164 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.5 m -85.44 -11.94 11.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.136 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -144.2 144.84 27.35 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.605 0.716 . . . . 0.0 110.903 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 156.68 62.77 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.685 2.256 . . . . 0.0 112.322 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.411 ' CE1' ' HD3' ' A' ' 56' ' ' PRO . 53.4 t80 -133.75 143.63 48.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.961 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.418 ' O ' ' NE2' ' A' ' 20' ' ' GLN . 85.7 m -107.45 109.45 21.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.1 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.426 ' HB3' ' N ' ' A' ' 26' ' ' GLY . 78.1 p -69.5 101.47 1.6 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.418 ' NE2' ' O ' ' A' ' 18' ' ' THR . 27.2 mp0 -68.87 -36.29 77.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.4 t -140.54 163.16 33.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.877 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -49.68 -32.79 14.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -56.86 -37.53 71.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.847 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -100.09 154.98 17.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 13.5 tt -118.17 139.57 44.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.142 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.426 ' N ' ' HB3' ' A' ' 19' ' ' SER . . . -102.67 124.65 8.24 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.453 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.621 ' CE2' HD11 ' A' ' 46' ' ' ILE . 3.0 p90 -130.61 156.17 45.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.776 0.322 . . . . 0.0 110.871 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.447 ' O ' HG22 ' A' ' 31' ' ' VAL . 1.4 pm0 -85.34 168.46 14.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.88 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 54.7 tttt -88.74 114.36 25.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.892 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 121.0 22.07 3.02 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.499 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.447 HG22 ' O ' ' A' ' 28' ' ' GLU . 4.2 m -121.27 165.4 16.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.994 0.426 . . . . 0.0 111.059 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.828 HG22 ' HE2' ' A' ' 10' ' ' LYS . 49.5 m -104.59 134.61 47.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.164 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.56 HG21 HD22 ' A' ' 60' ' ' LEU . 28.9 m -121.22 173.35 7.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.109 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.402 ' CG ' ' HE3' ' A' ' 10' ' ' LYS . 36.6 mt-10 -117.32 108.82 16.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.407 HG11 ' CE3' ' A' ' 44' ' ' TRP . 19.3 t -78.13 106.51 8.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.167 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 24.9 mt -80.14 -57.96 4.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.147 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 36.2 mmt-85 -124.71 174.48 7.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.835 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 80.8 mttt -141.43 140.03 33.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.88 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 28.7 t30 -125.22 117.75 24.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.424 ' O ' ' C ' ' A' ' 41' ' ' GLU . 25.6 mt -44.4 -55.54 4.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.967 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 40' ' ' LEU . 41.0 mt-10 -36.48 -57.71 0.74 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 151.88 44.29 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.471 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.485 ' HB3' ' CZ3' ' A' ' 54' ' ' TRP . 13.1 m95 -139.41 108.86 6.15 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.763 0.316 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.407 ' CE3' HG11 ' A' ' 35' ' ' VAL . 12.0 m0 -111.34 104.75 13.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.902 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.551 ' CE2' ' HB3' ' A' ' 52' ' ' GLU . 3.5 t80 -63.85 116.27 5.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.952 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.621 HD11 ' CE2' ' A' ' 27' ' ' PHE . 11.7 pt -123.53 167.22 17.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.098 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 16.3 ttt180 -126.59 125.22 41.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.721 ' CE2' HD12 ' A' ' 49' ' ' LEU . 38.4 t80 -136.36 129.41 31.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.938 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.721 HD12 ' CE2' ' A' ' 48' ' ' TYR . 12.3 mt 61.97 38.63 14.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.927 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 65.59 36.36 92.35 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.509 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.6 mtmp? -143.81 126.18 15.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.862 0.363 . . . . 0.0 110.907 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.551 ' HB3' ' CE2' ' A' ' 45' ' ' TYR . 38.7 mt-10 -96.59 122.49 39.56 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -146.81 168.04 28.14 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.515 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.485 ' CZ3' ' HB3' ' A' ' 43' ' ' TRP . 63.6 m95 -80.82 129.88 34.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.709 0.29 . . . . 0.0 110.927 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -138.59 144.08 40.77 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.598 0.713 . . . . 0.0 111.113 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.411 ' HD3' ' CE1' ' A' ' 17' ' ' TYR . 53.1 Cg_endo -69.79 122.69 9.35 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.68 2.253 . . . . 0.0 112.292 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -52.51 -27.33 15.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.063 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.6 m -60.74 -28.32 68.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.854 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.402 ' CD1' ' HG2' ' A' ' 56' ' ' PRO . 2.9 m-85 -96.28 29.15 2.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.958 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.632 HD23 HG22 ' A' ' 13' ' ' THR . 9.8 mt -149.22 139.05 21.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.895 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.1 pttp -134.71 134.71 41.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.839 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.421 ' HD3' ' C ' ' A' ' 62' ' ' LYS . 5.6 tmtm? -49.85 112.42 0.66 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.37 177.24 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.082 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -98.33 139.06 34.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -129.55 145.85 51.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.822 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.6 t -61.78 -57.05 13.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.37 78.54 1.09 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.517 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -0.27 6.66 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.7 2.267 . . . . 0.0 112.39 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 16.7 t -51.92 -45.46 64.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.827 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 29.8 p -117.57 90.42 3.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.802 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.433 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.494 179.994 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.2 p -114.01 124.84 53.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.918 0.39 . . . . 0.0 110.804 -179.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.9 t -48.92 106.82 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.87 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.85 136.76 10.1 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.469 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 t -103.61 41.83 1.24 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.872 0.368 . . . . 0.0 110.881 -179.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.1 m -137.28 176.34 8.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.847 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.65 127.69 5.07 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.494 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -130.48 -55.98 1.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.786 0.327 . . . . 0.0 110.855 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -124.41 128.56 49.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 30.5 mttt -89.92 111.05 21.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.931 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.538 ' CE2' ' N ' ' A' ' 62' ' ' LYS . 5.0 m-85 -101.81 -178.1 3.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.938 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.7 p -139.69 144.05 29.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.032 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.508 HG22 HD23 ' A' ' 60' ' ' LEU . 41.1 p -91.31 132.21 36.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.136 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 18.1 m -101.43 -10.24 8.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.1 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 61.3 mm-40 -148.78 144.32 18.15 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.662 0.744 . . . . 0.0 110.914 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 142.24 47.51 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.694 2.262 . . . . 0.0 112.332 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -119.47 151.19 38.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.944 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 43.1 m -120.65 95.83 4.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.177 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.418 ' HB3' ' C ' ' A' ' 25' ' ' ILE . 65.9 p -67.83 138.93 56.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 92.8 mm-40 -99.55 -40.73 7.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 74.5 m -129.58 170.25 14.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.5 ptpp? -54.29 -42.81 70.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.878 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -43.25 -45.19 5.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.906 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -98.88 157.98 15.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.869 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.496 ' CD1' ' O ' ' A' ' 51' ' ' LYS . 13.7 tt -122.42 138.25 53.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.088 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -106.35 125.06 8.0 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.478 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.463 ' CD1' HG21 ' A' ' 13' ' ' THR . 1.7 p90 -126.29 171.72 10.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.824 0.345 . . . . 0.0 110.876 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.405 ' O ' HG22 ' A' ' 31' ' ' VAL . 12.6 mt-10 -101.79 173.09 6.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.941 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 31.6 tttm -90.51 126.15 35.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.937 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 101.73 30.17 5.93 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.455 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.405 HG22 ' O ' ' A' ' 28' ' ' GLU . 16.0 m -125.63 168.07 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.922 0.391 . . . . 0.0 111.11 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 80.4 m -99.38 143.01 30.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.155 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.577 HG21 HD22 ' A' ' 60' ' ' LEU . 27.0 m -136.36 157.69 37.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.16 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -116.05 115.28 25.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.654 ' HA ' HG22 ' A' ' 46' ' ' ILE . 58.6 t -78.43 103.28 5.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.109 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.407 HD11 ' HB2' ' A' ' 47' ' ' ARG . 41.4 mt -75.29 -64.3 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.1 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 47.2 mtt180 -132.83 112.3 11.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.525 ' HB2' ' CE2' ' A' ' 44' ' ' TRP . 8.1 pttm -106.75 148.2 28.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 18.8 m-20 -125.22 -176.87 3.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.886 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 11.6 mt -98.18 -42.58 7.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -38.15 -58.67 0.94 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.819 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 153.82 38.97 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.497 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.439 ' CE3' ' HB3' ' A' ' 54' ' ' TRP . 18.1 m95 -143.55 116.76 8.97 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.738 0.304 . . . . 0.0 110.954 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.525 ' CE2' ' HB2' ' A' ' 38' ' ' LYS . 14.9 m0 -116.76 112.51 21.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.946 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.525 ' CE2' ' HB3' ' A' ' 52' ' ' GLU . 3.6 t80 -75.58 123.12 24.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.963 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.654 HG22 ' HA ' ' A' ' 35' ' ' VAL . 11.3 pt -132.67 168.46 24.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.07 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.407 ' HB2' HD11 ' A' ' 36' ' ' ILE . 48.1 ttt180 -123.56 115.96 22.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.834 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.72 ' CE2' HD12 ' A' ' 49' ' ' LEU . 22.1 t80 -130.58 128.81 41.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.72 HD12 ' CE2' ' A' ' 48' ' ' TYR . 13.1 mt 62.7 41.02 9.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.875 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 60.61 35.98 90.53 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.47 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.496 ' O ' ' CD1' ' A' ' 25' ' ' ILE . 55.9 mttt -141.69 123.75 15.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.787 0.327 . . . . 0.0 110.847 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.525 ' HB3' ' CE2' ' A' ' 45' ' ' TYR . 2.1 mp0 -95.91 125.33 40.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.459 ' O ' ' CD1' ' A' ' 45' ' ' TYR . . . -150.49 -176.47 23.51 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.453 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.439 ' HB3' ' CE3' ' A' ' 43' ' ' TRP . 61.9 m95 -100.16 115.27 29.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.736 0.303 . . . . 0.0 110.964 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -122.65 142.82 38.45 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.543 0.687 . . . . 0.0 111.112 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 120.92 7.63 Favored 'Trans proline' 0 C--O 1.231 0.128 0 C-N-CA 122.685 2.256 . . . . 0.0 112.329 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -44.17 -33.15 1.43 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.092 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.0 m -49.22 -39.31 29.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.827 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.43 ' O ' HD23 ' A' ' 60' ' ' LEU . 5.9 m-85 -90.33 26.22 2.0 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.941 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.577 HD22 HG21 ' A' ' 33' ' ' VAL . 13.3 mt -146.74 152.53 38.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.829 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.49 ' C ' ' CD2' ' A' ' 11' ' ' TYR . 5.7 ptmm? -157.96 135.02 10.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.538 ' N ' ' CE2' ' A' ' 11' ' ' TYR . 58.6 tttt -48.81 123.3 6.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.934 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -99.51 111.84 24.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.07 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 17.7 ttpt -103.22 114.66 29.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -96.6 -58.96 1.92 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.864 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.3 t -143.37 147.34 34.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.822 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 167.09 -157.97 30.69 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.541 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.89 178.94 4.14 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.611 2.207 . . . . 0.0 112.266 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 57.2 m -125.66 167.05 15.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 50.1 m -87.81 136.33 33.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.955 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.463 -179.956 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -38.74 156.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.844 0.354 . . . . 0.0 110.849 -179.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -136.65 174.24 10.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.6 -171.15 23.36 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.472 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.0 p -119.77 130.7 55.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.863 0.363 . . . . 0.0 110.823 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.8 m -105.49 90.8 3.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.802 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.96 143.5 15.74 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.472 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -112.26 -46.36 3.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.834 0.35 . . . . 0.0 110.865 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -142.16 137.69 31.04 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.837 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 29.8 mttp -106.98 116.73 32.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.936 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -107.48 176.53 5.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.899 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 24.3 t -132.38 140.7 47.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.124 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 22.5 p -89.23 135.04 33.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.127 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.453 ' CG1' ' HD3' ' A' ' 61' ' ' LYS . 7.0 m -103.05 -16.13 7.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.113 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.427 ' HB2' ' CD2' ' A' ' 59' ' ' TYR . 41.9 mm-40 -143.68 146.54 35.51 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.599 0.714 . . . . 0.0 110.903 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.65 151.24 69.67 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.732 2.288 . . . . 0.0 112.343 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 84.6 t80 -134.55 142.27 46.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.031 0.443 . . . . 0.0 110.845 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 37.1 m -109.94 116.94 32.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.176 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.404 ' HB3' ' N ' ' A' ' 26' ' ' GLY . 96.7 p -76.87 123.71 26.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.1 mp0 -82.93 -46.16 13.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.97 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.2 m -124.48 154.26 40.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.836 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -45.29 -38.19 5.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.865 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -47.92 -40.81 23.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.857 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.9 mp0 -98.99 159.37 15.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.885 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 11.7 tt -121.06 142.53 36.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.131 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.404 ' N ' ' HB3' ' A' ' 19' ' ' SER . . . -109.15 127.82 8.71 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.606 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 4.7 p90 -124.54 172.83 8.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.779 0.323 . . . . 0.0 110.927 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.49 ' O ' HG22 ' A' ' 31' ' ' VAL . 13.4 mt-10 -104.11 167.98 9.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 56.3 tttt -85.55 121.27 28.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.928 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.78 32.13 3.96 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.518 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.49 HG22 ' O ' ' A' ' 28' ' ' GLU . 18.6 m -125.75 177.92 4.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.875 0.369 . . . . 0.0 111.126 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 51.5 m -111.53 142.67 43.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.434 HG12 ' HB2' ' A' ' 48' ' ' TYR . 30.8 m -139.78 149.1 22.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.121 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -103.14 117.69 35.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 83.0 t -79.9 110.69 15.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.158 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 45.0 mt -85.11 -63.9 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.067 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 22.4 mtp85 -127.28 107.9 10.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.455 ' HB2' ' CE2' ' A' ' 44' ' ' TRP . 11.9 pttp -97.89 134.28 41.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.9 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -101.33 -177.02 3.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.957 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.522 HD13 ' O ' ' A' ' 40' ' ' LEU . 0.2 OUTLIER -73.14 88.09 1.44 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 37.02 52.71 1.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.871 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -141.5 -60.46 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.504 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.545 ' HB3' ' CZ3' ' A' ' 54' ' ' TRP . 21.8 m95 -140.33 116.65 10.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.758 0.313 . . . . 0.0 110.943 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.706 ' CD1' ' HB2' ' A' ' 57' ' ' ALA . 14.5 m0 -112.36 103.91 12.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.447 ' CE1' ' C ' ' A' ' 53' ' ' GLY . 3.1 t80 -68.39 118.11 11.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.963 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 26.0 pt -122.35 170.94 11.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.132 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 14.9 ttm180 -127.86 116.36 20.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.478 ' CZ ' ' HG ' ' A' ' 49' ' ' LEU . 21.3 t80 -135.5 143.68 45.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.925 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.478 ' HG ' ' CZ ' ' A' ' 48' ' ' TYR . 11.3 mt 54.67 35.64 24.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.97 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 64.15 20.68 65.25 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.499 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.412 ' HA ' ' CE ' ' A' ' 51' ' ' LYS . 0.5 OUTLIER -125.41 136.02 52.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.804 0.335 . . . . 0.0 110.899 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -102.79 130.52 49.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.447 ' C ' ' CE1' ' A' ' 45' ' ' TYR . . . -154.73 177.09 32.23 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.474 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.545 ' CZ3' ' HB3' ' A' ' 43' ' ' TRP . 22.7 m95 -90.14 118.98 30.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.742 0.306 . . . . 0.0 110.99 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -119.48 144.13 36.03 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.606 0.717 . . . . 0.0 111.095 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.65 147.07 62.74 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.622 2.215 . . . . 0.0 112.431 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.706 ' HB2' ' CD1' ' A' ' 44' ' ' TRP . . . -85.37 22.94 1.4 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.15 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 39.8 t -112.45 -27.58 8.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.427 ' CD2' ' HB2' ' A' ' 15' ' ' GLN . 16.1 m-85 -98.51 26.99 5.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.925 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 18.1 mt -137.11 143.18 42.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.453 ' HD3' ' CG1' ' A' ' 14' ' ' VAL . 15.1 pttp -136.72 135.29 38.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.801 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.459 ' HD2' ' CB ' ' A' ' 64' ' ' LYS . 2.4 tmtt? -63.59 106.77 1.01 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 62' ' ' LYS . . . -34.41 -45.87 0.24 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.067 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.459 ' CB ' ' HD2' ' A' ' 62' ' ' LYS . 8.1 tptp -60.04 138.73 57.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.853 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -136.13 140.56 43.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.857 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 67' ' ' GLY . 17.1 p -64.82 88.11 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 -179.775 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 66' ' ' SER . . . 33.94 -96.33 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.49 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.433 ' N ' ' O ' ' A' ' 66' ' ' SER . 53.7 Cg_endo -69.73 159.37 53.69 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.696 2.264 . . . . 0.0 112.308 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.9 t -57.67 -43.02 84.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 27.9 t -142.07 129.88 21.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.88 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.51 179.983 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.0 m -113.64 90.16 3.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.839 0.352 . . . . 0.0 110.834 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 t -155.06 133.47 11.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.04 110.86 0.24 Allowed Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.517 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.1 p 43.51 41.7 3.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.908 0.385 . . . . 0.0 110.85 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 m -53.7 -57.05 12.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.807 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.91 91.27 1.68 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.551 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -92.12 -60.04 1.95 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.798 0.332 . . . . 0.0 110.913 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -135.15 106.8 6.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.88 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 39.8 mttt -88.36 111.69 22.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.944 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.594 ' CE1' ' HD2' ' A' ' 62' ' ' LYS . 3.6 m-85 -104.07 164.67 11.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.961 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.434 HG23 ' HB2' ' A' ' 63' ' ' ALA . 88.7 t -120.71 145.79 26.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.109 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 24.8 p -95.75 113.91 25.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.157 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.449 HG23 ' HG3' ' A' ' 15' ' ' GLN . 17.0 m -86.1 -8.1 11.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.121 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.498 ' HB2' ' CD2' ' A' ' 59' ' ' TYR . 37.3 mt-30 -150.48 145.23 18.23 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.678 0.752 . . . . 0.0 110.912 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 152.39 69.56 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.674 2.249 . . . . 0.0 112.361 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -133.8 131.72 39.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 22.5 m -99.28 111.17 23.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.127 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.459 ' HB3' ' N ' ' A' ' 26' ' ' GLY . 78.5 p -74.51 133.25 42.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.936 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 95.2 mm-40 -90.7 -30.18 17.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 22' ' ' LYS . 18.8 m -154.57 163.78 39.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.824 -179.802 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.449 ' O ' ' C ' ' A' ' 23' ' ' ASP . 0.7 OUTLIER -36.04 -59.73 0.59 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.899 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' A' ' 22' ' ' LYS . 13.6 p-10 -34.43 -43.21 0.16 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.888 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 -98.47 151.58 20.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.931 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.426 ' C ' ' HB3' ' A' ' 19' ' ' SER . 13.7 tt -122.61 135.03 64.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.073 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.459 ' N ' ' HB3' ' A' ' 19' ' ' SER . . . -102.43 133.68 11.49 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.478 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.4 ' CE2' HD11 ' A' ' 46' ' ' ILE . 3.6 p90 -138.19 168.28 20.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.83 0.348 . . . . 0.0 110.867 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -96.11 173.15 7.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 45.0 tttt -92.31 116.69 29.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 116.76 24.2 3.75 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.534 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 5.8 m -116.33 -178.38 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.901 0.381 . . . . 0.0 111.147 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 92.5 m -115.12 136.57 52.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.158 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.651 HG21 HD22 ' A' ' 60' ' ' LEU . 27.1 m -126.43 166.18 23.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.155 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -122.73 113.14 18.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.959 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.545 ' HA ' HG22 ' A' ' 46' ' ' ILE . 96.4 t -76.51 112.67 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.186 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 78.8 mt -88.89 -60.04 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.154 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 58.3 mtm180 -122.99 157.08 33.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.851 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 51.4 mttp -122.98 126.73 47.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.871 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.408 ' CB ' ' O ' ' A' ' 43' ' ' TRP . 19.2 t30 -104.99 -179.23 3.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 52.2 mt -107.87 -19.21 13.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.937 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -93.8 49.78 1.38 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 48.5 46.18 29.5 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.483 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.408 ' O ' ' CB ' ' A' ' 39' ' ' ASN . 10.3 m95 -135.62 109.06 7.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.741 0.305 . . . . 0.0 110.907 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 11.8 m0 -115.73 106.17 13.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.523 ' CE2' ' HB3' ' A' ' 52' ' ' GLU . 3.7 t80 -62.53 116.96 5.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.545 HG22 ' HA ' ' A' ' 35' ' ' VAL . 10.3 pt -125.52 167.27 20.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.066 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 9.7 ttp180 -126.11 121.79 33.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.862 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.408 ' CE1' ' HG ' ' A' ' 49' ' ' LEU . 15.6 t80 -134.02 130.71 37.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.408 ' HG ' ' CE1' ' A' ' 48' ' ' TYR . 23.8 mt 61.13 37.77 17.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.95 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 65.19 35.16 91.32 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.491 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 15.4 ttmt -140.94 125.98 18.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.777 0.322 . . . . 0.0 110.907 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.523 ' HB3' ' CE2' ' A' ' 45' ' ' TYR . 41.7 mt-10 -95.89 125.14 40.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.918 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -147.49 -174.49 19.49 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.446 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 32.6 m95 -101.39 120.7 40.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.778 0.323 . . . . 0.0 110.926 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -127.45 144.13 49.81 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.544 0.687 . . . . 0.0 111.132 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 128.87 16.6 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.699 2.266 . . . . 0.0 112.309 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.75 -16.23 25.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.061 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.1 m -71.21 -25.25 62.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.813 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.498 ' CD2' ' HB2' ' A' ' 15' ' ' GLN . 4.3 m-85 -101.5 22.25 12.95 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.651 HD22 HG21 ' A' ' 33' ' ' VAL . 14.7 mt -138.35 137.2 37.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.91 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.75 131.76 39.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.594 ' HD2' ' CE1' ' A' ' 11' ' ' TYR . 15.8 tptm -57.72 120.5 8.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.434 ' HB2' HG23 ' A' ' 12' ' ' VAL . . . -77.28 75.21 3.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.076 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.1 pttp -111.54 74.75 0.88 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.954 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -51.66 119.74 4.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.904 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.6 t -137.14 158.54 44.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -103.08 -179.39 26.32 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.457 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -34.36 14.88 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.75 2.3 . . . . 0.0 112.304 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 28.1 t -80.17 154.56 27.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.842 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.5 m -93.03 120.02 32.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.934 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.506 -179.986 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.4 t -54.41 -55.06 32.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.823 0.344 . . . . 0.0 110.832 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 4' ' ' GLY . 2.1 t -66.4 114.1 5.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 -179.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 3' ' ' SER . . . -34.66 144.46 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.436 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 m -60.21 141.54 55.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.891 0.377 . . . . 0.0 110.841 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 m -98.89 107.75 20.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.799 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.99 57.76 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.469 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -85.7 -43.05 13.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.753 0.311 . . . . 0.0 110.936 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 79.8 mt-10 -121.74 127.47 50.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.95 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 33.2 mttm -100.12 118.99 37.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.969 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.489 ' CE1' ' CD ' ' A' ' 62' ' ' LYS . 3.9 m-85 -104.7 177.47 4.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.953 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.414 ' HB ' ' CG ' ' A' ' 61' ' ' LYS . 44.5 t -132.26 144.38 37.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.136 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 42.1 p -95.77 119.61 34.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.109 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.458 HG23 ' HG3' ' A' ' 15' ' ' GLN . 16.5 m -93.8 -9.24 9.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.519 ' HB2' ' CD2' ' A' ' 59' ' ' TYR . 45.7 mt-30 -146.86 142.99 17.74 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.608 0.718 . . . . 0.0 110.906 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 150.68 68.66 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.719 2.279 . . . . 0.0 112.343 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 45.8 t80 -132.17 142.52 49.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.5 m -113.06 110.21 20.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.123 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.8 p -61.79 110.69 1.6 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -112.75 26.41 10.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.878 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.478 ' HB2' ' CG ' ' A' ' 24' ' ' GLU . 3.3 m -152.04 157.03 41.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.927 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 56.4 pttt -61.29 -28.72 69.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -109.46 34.55 3.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.481 ' OE2' ' CH2' ' A' ' 43' ' ' TRP . 31.8 mm-40 -123.82 141.72 51.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.879 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.427 ' CD1' ' HB3' ' A' ' 51' ' ' LYS . 14.6 tt -115.82 137.48 49.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.153 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -109.02 120.46 5.86 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.48 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 4.0 p90 -122.04 159.66 26.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.891 0.377 . . . . 0.0 110.834 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -92.19 174.44 7.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.848 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.9 tttp -92.78 125.18 37.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.56 28.78 5.29 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.516 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 15.3 m -123.46 -175.82 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.868 0.366 . . . . 0.0 111.116 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 52.3 m -119.8 140.19 51.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.126 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.6 m -131.62 -178.71 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -134.58 115.84 14.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.946 ' HA ' HG22 ' A' ' 46' ' ' ILE . 40.9 t -78.71 110.05 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.154 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.549 HG22 ' HG2' ' A' ' 37' ' ' ARG . 17.6 mt -84.58 -64.28 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.108 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.549 ' HG2' HG22 ' A' ' 36' ' ' ILE . 26.1 mmt180 -129.66 115.67 17.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.877 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.53 ' HB2' ' CE2' ' A' ' 44' ' ' TRP . 7.9 ptpp? -104.73 149.41 25.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.41 ' ND2' ' HB2' ' A' ' 41' ' ' GLU . 45.8 p30 -142.31 -176.88 5.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.849 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.709 HD13 ' O ' ' A' ' 40' ' ' LEU . 0.3 OUTLIER -91.86 -11.38 36.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 179.932 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 42' ' ' GLY . 54.1 mm-40 -81.71 46.74 1.0 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 41' ' ' GLU . . . 35.43 38.3 0.17 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.483 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.532 ' CZ3' ' HB3' ' A' ' 54' ' ' TRP . 34.3 m95 -139.76 105.68 5.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.737 0.304 . . . . 0.0 110.943 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.53 ' CE2' ' HB2' ' A' ' 38' ' ' LYS . 33.0 m0 -112.93 103.04 11.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.48 ' CE2' ' HB3' ' A' ' 52' ' ' GLU . 7.0 t80 -57.88 122.61 13.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.936 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.946 HG22 ' HA ' ' A' ' 35' ' ' VAL . 8.1 pt -136.0 168.49 22.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.142 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 28.3 ttp180 -125.79 121.15 32.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.458 ' CE2' HD12 ' A' ' 49' ' ' LEU . 13.2 t80 -131.7 126.68 35.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.958 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.458 HD12 ' CE2' ' A' ' 48' ' ' TYR . 13.1 mt 62.73 40.58 9.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.899 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 63.59 37.25 94.47 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.433 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.427 ' HB3' ' CD1' ' A' ' 25' ' ' ILE . 14.2 ttpt -143.8 122.19 12.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.794 0.331 . . . . 0.0 110.904 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.48 ' HB3' ' CE2' ' A' ' 45' ' ' TYR . 28.4 mt-10 -96.61 122.04 39.09 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.875 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -149.52 175.46 28.69 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.502 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.532 ' HB3' ' CZ3' ' A' ' 43' ' ' TRP . 30.8 m95 -86.35 133.9 33.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.78 0.324 . . . . 0.0 110.987 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -146.6 143.95 19.74 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.555 0.693 . . . . 0.0 111.128 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 124.9 11.53 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.677 2.251 . . . . 0.0 112.338 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.529 ' HA ' HD12 ' A' ' 60' ' ' LEU . . . -57.53 -27.28 62.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.182 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 41.5 t -55.71 -26.1 43.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.834 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.519 ' CD2' ' HB2' ' A' ' 15' ' ' GLN . 3.2 m-85 -99.51 23.36 9.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.529 HD12 ' HA ' ' A' ' 57' ' ' ALA . 22.8 mt -135.26 143.68 46.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.873 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.414 ' CG ' ' HB ' ' A' ' 12' ' ' VAL . 4.8 ptmm? -137.11 130.69 31.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.489 ' CD ' ' CE1' ' A' ' 11' ' ' TYR . 18.0 tptp -62.7 104.84 0.57 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -44.53 -51.5 8.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.074 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? 61.89 51.43 3.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.939 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -92.47 -54.49 3.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.907 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 8.0 t -92.15 115.94 28.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 124.35 74.84 0.26 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.453 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.71 -27.11 27.13 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.67 2.247 . . . . 0.0 112.411 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 21.9 m -83.44 126.39 32.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.2 m -124.61 91.74 3.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.802 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.483 179.955 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.9 m -58.22 -59.27 5.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.823 0.344 . . . . 0.0 110.879 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 m -83.98 169.83 14.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.4 -45.61 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.544 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -105.18 114.78 29.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.861 0.362 . . . . 0.0 110.869 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.6 m -45.62 104.19 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.895 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -100.99 154.14 19.16 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.508 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -88.23 -60.93 1.83 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.835 0.35 . . . . 0.0 110.86 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -150.09 132.84 15.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.537 ' CG ' ' CD ' ' A' ' 34' ' ' GLU . 17.2 mtmm -117.08 122.43 44.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.888 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -105.63 -178.89 3.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.96 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 40.4 t -126.82 143.28 40.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.149 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.509 HG21 ' CD1' ' A' ' 27' ' ' PHE . 32.3 p -92.0 132.54 36.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.13 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.619 HG23 ' HG3' ' A' ' 15' ' ' GLN . 28.9 m -107.27 -11.41 10.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.085 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.619 ' HG3' HG23 ' A' ' 14' ' ' VAL . 62.3 mt-30 -146.7 144.0 19.66 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.653 0.74 . . . . 0.0 110.884 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.69 140.4 42.84 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.688 2.259 . . . . 0.0 112.356 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -122.21 143.82 49.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 59.0 m -119.1 102.38 8.69 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.164 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 82.1 p -72.11 127.58 33.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 81.6 mm-40 -81.79 -36.88 27.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 16.8 m -125.04 168.32 13.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.942 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -55.88 -47.4 77.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -39.78 -40.69 0.99 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.829 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.9 mp0 -98.16 154.03 18.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 12.7 tt -121.52 136.24 59.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.113 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -103.72 129.5 9.89 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.478 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.509 ' CD1' HG21 ' A' ' 13' ' ' THR . 3.8 p90 -129.01 166.95 18.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.777 0.322 . . . . 0.0 110.95 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.563 ' O ' HG22 ' A' ' 31' ' ' VAL . 14.3 mt-10 -95.23 162.76 13.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 24.0 tttm -80.89 116.09 20.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.945 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 114.03 32.27 2.07 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.499 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.563 HG22 ' O ' ' A' ' 28' ' ' GLU . 15.5 m -128.4 177.41 6.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.883 0.373 . . . . 0.0 111.116 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.45 ' CG2' ' HD2' ' A' ' 10' ' ' LYS . 52.4 m -110.52 136.75 49.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.165 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.694 HG21 HD22 ' A' ' 60' ' ' LEU . 19.3 m -126.89 145.28 34.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.135 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.537 ' CD ' ' CG ' ' A' ' 10' ' ' LYS . 5.1 mm-40 -105.8 109.93 22.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.903 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.651 HG22 HG22 ' A' ' 46' ' ' ILE . 63.8 t -74.77 122.62 28.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.138 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.48 ' CD1' ' HG2' ' A' ' 52' ' ' GLU . 80.4 mt -93.67 -52.49 9.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.121 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -121.37 171.55 8.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.852 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.57 ' HD2' ' CZ2' ' A' ' 44' ' ' TRP . 9.8 mmtp -140.92 105.17 4.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.437 ' CB ' ' O ' ' A' ' 43' ' ' TRP . 3.0 t-20 -84.64 -178.2 6.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.5 mp -120.37 -16.4 8.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.971 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -85.07 30.43 0.59 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 70.36 43.84 61.06 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.459 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.56 ' CE3' ' HB3' ' A' ' 54' ' ' TRP . 24.9 m95 -145.38 125.95 14.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.707 0.289 . . . . 0.0 110.934 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.57 ' CZ2' ' HD2' ' A' ' 38' ' ' LYS . 8.8 m0 -122.98 117.25 25.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.903 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -75.32 114.56 13.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.936 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.651 HG22 HG22 ' A' ' 35' ' ' VAL . 6.6 pt -123.1 169.31 14.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.088 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.478 ' HB2' HD11 ' A' ' 36' ' ' ILE . 50.1 ttt180 -125.13 129.41 50.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.942 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.471 ' CE1' ' HG ' ' A' ' 49' ' ' LEU . 19.7 t80 -142.68 133.01 24.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.949 -179.813 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.471 ' HG ' ' CE1' ' A' ' 48' ' ' TYR . 35.8 mt 61.21 33.51 19.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 71.48 28.21 69.97 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.452 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 19.1 mtmt -136.79 126.45 25.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.792 0.33 . . . . 0.0 110.881 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.48 ' HG2' ' CD1' ' A' ' 36' ' ' ILE . 4.4 mp0 -95.92 120.43 36.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.872 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -144.09 179.47 21.39 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.455 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.56 ' HB3' ' CE3' ' A' ' 43' ' ' TRP . 45.3 m95 -92.49 125.06 36.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.748 0.309 . . . . 0.0 110.909 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.499 ' HB3' HG12 ' A' ' 46' ' ' ILE . . . -128.54 144.23 51.33 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.575 0.702 . . . . 0.0 111.112 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 120.14 6.97 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.717 2.278 . . . . 0.0 112.298 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.66 -20.49 8.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.116 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.0 m -68.94 -24.02 64.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.882 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -97.77 17.85 17.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.694 HD22 HG21 ' A' ' 33' ' ' VAL . 12.9 mt -134.17 141.83 47.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.883 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.2 ptmt -131.13 133.4 45.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -57.91 115.81 3.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.855 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.14 175.19 0.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.047 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 65.9 mmtt -145.52 119.16 9.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -93.62 100.25 12.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 89.7 p -114.55 41.11 2.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.864 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -55.17 -83.37 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.449 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 85.46 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.603 2.202 . . . . 0.0 112.329 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 34.2 t -79.05 121.68 25.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 63.8 m -101.99 126.93 49.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.839 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.52 179.982 . . . . . . . . 0 0 . 1 stop_ save_